#METABOLOMICS WORKBENCH dbezwada_20231214_143439 DATATRACK_ID:4520 STUDY_ID:ST003143 ANALYSIS_ID:AN005158 PROJECT_ID:PR001954 VERSION 1 CREATED_ON March 27, 2024, 8:51 am #PROJECT PR:PROJECT_TITLE Mitochondrial complex I promotes kidney cancer metastasis PR:PROJECT_SUMMARY Most kidney cancers display metabolic dysfunction but how this relates to cancer PR:PROJECT_SUMMARY progression in humans is unknown. We infused 13C-labeled nutrients during PR:PROJECT_SUMMARY surgical tumour resection in over 80 patients with kidney cancer. Labeling from PR:PROJECT_SUMMARY [U-13C]glucose varies across subtypes, indicating that the kidney environment PR:PROJECT_SUMMARY alone cannot account for all metabolic reprogramming in these tumours. Compared PR:PROJECT_SUMMARY to the adjacent kidney, clear cell renal cell carcinomas (ccRCC) display PR:PROJECT_SUMMARY suppressed labelling of tricarboxylic acid (TCA) cycle intermediates in vivo and PR:PROJECT_SUMMARY in organotypic cultures ex vivo, indicating that suppressed labeling is tissue PR:PROJECT_SUMMARY intrinsic. Infusions of [1,2-13C]acetate and [U-13C]glutamine in patients, PR:PROJECT_SUMMARY coupled with measurements of respiration in mitochondria isolated from kidneys PR:PROJECT_SUMMARY and tumours, reveal electron transport chain (ETC) defects in ccRCC. However, PR:PROJECT_SUMMARY ccRCC metastases unexpectedly have enhanced TCA cycle labeling compared to PR:PROJECT_SUMMARY primary ccRCCs, indicating a divergent metabolic program during metastasis in PR:PROJECT_SUMMARY patients. In mice, stimulating respiration or NADH recycling in kidney cancer PR:PROJECT_SUMMARY cells is sufficient to promote metastasis, while inhibiting ETC complex I PR:PROJECT_SUMMARY decreases metastasis. These findings indicate that metabolic properties and PR:PROJECT_SUMMARY liabilities evolve during kidney cancer progression in humans, and that PR:PROJECT_SUMMARY mitochondrial function is limiting for metastasis but not for growth at the PR:PROJECT_SUMMARY original site. PR:INSTITUTE University of Texas Southwestern Medical Center at Dallas PR:LABORATORY Ralph DeBerardinis, MD, PhD PR:LAST_NAME Bezwada PR:FIRST_NAME Divya PR:ADDRESS 5323 Harry Hines Boulevard, Dallas, TX 75390-8502 PR:EMAIL dbezwada@scripps.edu PR:PHONE 214.648-2587 #STUDY ST:STUDY_TITLE Mitochondrial complex I promotes kidney cancer metastasis ST:STUDY_SUMMARY Most kidney cancers display metabolic dysfunction but how this relates to cancer ST:STUDY_SUMMARY progression in humans is unknown. We infused 13C-labeled nutrients during ST:STUDY_SUMMARY surgical tumour resection in over 80 patients with kidney cancer. Labeling from ST:STUDY_SUMMARY [U-13C]glucose varies across subtypes, indicating that the kidney environment ST:STUDY_SUMMARY alone cannot account for all metabolic reprogramming in these tumours. Compared ST:STUDY_SUMMARY to the adjacent kidney, clear cell renal cell carcinomas (ccRCC) display ST:STUDY_SUMMARY suppressed labelling of tricarboxylic acid (TCA) cycle intermediates in vivo and ST:STUDY_SUMMARY in organotypic cultures ex vivo, indicating that suppressed labeling is tissue ST:STUDY_SUMMARY intrinsic. Infusions of [1,2-13C]acetate and [U-13C]glutamine in patients, ST:STUDY_SUMMARY coupled with measurements of respiration in mitochondria isolated from kidneys ST:STUDY_SUMMARY and tumours, reveal electron transport chain (ETC) defects in ccRCC. However, ST:STUDY_SUMMARY ccRCC metastases unexpectedly have enhanced TCA cycle labeling compared to ST:STUDY_SUMMARY primary ccRCCs, indicating a divergent metabolic program during metastasis in ST:STUDY_SUMMARY patients. In mice, stimulating respiration or NADH recycling in kidney cancer ST:STUDY_SUMMARY cells is sufficient to promote metastasis, while inhibiting ETC complex I ST:STUDY_SUMMARY decreases metastasis. These findings indicate that metabolic properties and ST:STUDY_SUMMARY liabilities evolve during kidney cancer progression in humans, and that ST:STUDY_SUMMARY mitochondrial function is limiting for metastasis but not for growth at the ST:STUDY_SUMMARY original site. ST:INSTITUTE University of Texas Southwestern Medical Center at Dallas ST:LAST_NAME Bezwada ST:FIRST_NAME Divya ST:ADDRESS 5323 Harry Hines Boulevard, Dallas, TX 75390-8502 ST:EMAIL dbezwada@scripps.edu ST:PHONE 214-648-2587 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS VM32 VM32_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5709.d SUBJECT_SAMPLE_FACTORS VM58 VM58_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5711.d SUBJECT_SAMPLE_FACTORS VM26 VM26_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5713.d SUBJECT_SAMPLE_FACTORS VM41 VM41_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5716.d SUBJECT_SAMPLE_FACTORS VM67 VM67_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5720.d SUBJECT_SAMPLE_FACTORS VM36 VM36_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5723.d SUBJECT_SAMPLE_FACTORS VM50 VM50_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5726.d SUBJECT_SAMPLE_FACTORS VM65 VM65_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5728.d SUBJECT_SAMPLE_FACTORS VM60 VM60_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5730.d SUBJECT_SAMPLE_FACTORS VM38 VM38_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5733.d SUBJECT_SAMPLE_FACTORS VM47 VM47_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5735.d SUBJECT_SAMPLE_FACTORS VM63 VM63_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5737.d SUBJECT_SAMPLE_FACTORS VM53 VM53_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5739.d SUBJECT_SAMPLE_FACTORS VM25 VM25_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5743.d SUBJECT_SAMPLE_FACTORS VM59 VM59_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5745.d SUBJECT_SAMPLE_FACTORS VM54 VM54_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5747.d SUBJECT_SAMPLE_FACTORS VM39 VM39_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5750.d SUBJECT_SAMPLE_FACTORS VM23 VM23_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5752.d SUBJECT_SAMPLE_FACTORS VM17 VM17_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5754.d SUBJECT_SAMPLE_FACTORS VM40 VM40_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5756.d SUBJECT_SAMPLE_FACTORS VM13 VM13_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5758.d SUBJECT_SAMPLE_FACTORS VM10 VM10_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5760.d SUBJECT_SAMPLE_FACTORS VM49 VM49_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5762.d SUBJECT_SAMPLE_FACTORS VM35 VM35_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5764.d SUBJECT_SAMPLE_FACTORS VM66 VM66_Adjacent_Kidney Sample source:Adjacent_Kidney | Diagnosis:- Batch=1; RAW_FILE_NAME=LC5766.d SUBJECT_SAMPLE_FACTORS VM32 VM32_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5710.d SUBJECT_SAMPLE_FACTORS VM58 VM58_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5712.d SUBJECT_SAMPLE_FACTORS VM26 VM26_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5714.d SUBJECT_SAMPLE_FACTORS VM30 VM30_Primary_Tumour_CHROMOPHOBE Sample source:Primary_Tumour | Diagnosis:CHROMOPHOBE Batch=1; RAW_FILE_NAME=LC5715.d SUBJECT_SAMPLE_FACTORS VM41 VM41_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5717.d SUBJECT_SAMPLE_FACTORS VM44 VM44_Primary_Tumour_PAPILLARY Sample source:Primary_Tumour | Diagnosis:PAPILLARY Batch=1; RAW_FILE_NAME=LC5718.d SUBJECT_SAMPLE_FACTORS VM31 VM31_Primary_Tumour_ONCOCYTOMA Sample source:Primary_Tumour | Diagnosis:ONCOCYTOMA Batch=1; RAW_FILE_NAME=LC5719.d SUBJECT_SAMPLE_FACTORS VM67 VM67_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5721.d SUBJECT_SAMPLE_FACTORS VM46 VM46_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5722.d SUBJECT_SAMPLE_FACTORS VM36 VM36_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5724.d SUBJECT_SAMPLE_FACTORS VM34 VM34_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5725.d SUBJECT_SAMPLE_FACTORS VM50 VM50_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5727.d SUBJECT_SAMPLE_FACTORS VM65 VM65_Primary_Tumour_PAPILLARY Sample source:Primary_Tumour | Diagnosis:PAPILLARY Batch=1; RAW_FILE_NAME=LC5729.d SUBJECT_SAMPLE_FACTORS VM60 VM60_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5731.d SUBJECT_SAMPLE_FACTORS VM21 VM21_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5732.d SUBJECT_SAMPLE_FACTORS VM38 VM38_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5734.d SUBJECT_SAMPLE_FACTORS VM47 VM47_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5736.d SUBJECT_SAMPLE_FACTORS VM63 VM63_Primary_Tumour_PAPILLARY Sample source:Primary_Tumour | Diagnosis:PAPILLARY Batch=1; RAW_FILE_NAME=LC5738.d SUBJECT_SAMPLE_FACTORS VM53 VM53_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5740.d SUBJECT_SAMPLE_FACTORS VM12 VM12_Primary_Tumour_PAPILLARY Sample source:Primary_Tumour | Diagnosis:PAPILLARY Batch=1; RAW_FILE_NAME=LC5741.d SUBJECT_SAMPLE_FACTORS VM14 VM14_Primary_Tumour_PAPILLARY Sample source:Primary_Tumour | Diagnosis:PAPILLARY Batch=1; RAW_FILE_NAME=LC5742.d SUBJECT_SAMPLE_FACTORS VM25 VM25_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5744.d SUBJECT_SAMPLE_FACTORS VM59 VM59_Primary_Tumour_ONCOCYTOMA Sample source:Primary_Tumour | Diagnosis:ONCOCYTOMA Batch=1; RAW_FILE_NAME=LC5746.d SUBJECT_SAMPLE_FACTORS VM09 VM09_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5749.d SUBJECT_SAMPLE_FACTORS VM39 VM39_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5751.d SUBJECT_SAMPLE_FACTORS VM23 VM23_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5753.d SUBJECT_SAMPLE_FACTORS VM17 VM17_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5755.d SUBJECT_SAMPLE_FACTORS VM40 VM40_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5757.d SUBJECT_SAMPLE_FACTORS VM13 VM13_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5759.d SUBJECT_SAMPLE_FACTORS VM10 VM10_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5761.d SUBJECT_SAMPLE_FACTORS VM49 VM49_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5763.d SUBJECT_SAMPLE_FACTORS VM35 VM35_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5765.d SUBJECT_SAMPLE_FACTORS VM66 VM66_Primary_Tumour_CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Batch=1; RAW_FILE_NAME=LC5767.d SUBJECT_SAMPLE_FACTORS VM11 VM11_Primary_Tumour_ONCOCYTOMA Sample source:Primary_Tumour | Diagnosis:ONCOCYTOMA Batch=1; RAW_FILE_NAME=LC5768.d #COLLECTION CO:COLLECTION_SUMMARY Human tissues were collected under clinical trials approved and monitored by the CO:COLLECTION_SUMMARY Institutional Review Board (IRB) at the University of Texas Southwestern Medical CO:COLLECTION_SUMMARY Center. Tissues were collected after surgery, flash frozen in liquid nitrogen, CO:COLLECTION_SUMMARY and stored in a -80 freezer. CO:SAMPLE_TYPE Human CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Not applicable. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Frozen tissue fragments weighing 10-30mg were added to ice cold 80:20 SP:SAMPLEPREP_SUMMARY methanol:water and extracted for metabolomics analysis. Samples were subjected SP:SAMPLEPREP_SUMMARY to three freeze-thaw cycles, then centrifuged at 16,000xg for 20 minutes to SP:SAMPLEPREP_SUMMARY precipitate macromolecules. The supernatant was evaporated using a vacuum SP:SAMPLEPREP_SUMMARY concentrator. Samples were resuspended in 100 μL of 0.1% formic acid in water, SP:SAMPLEPREP_SUMMARY vortexed for 30 seconds, and centrifuged at 16,000g for 15 minutes. Supernatant SP:SAMPLEPREP_SUMMARY was transferred to an autosampler vial and then run on the MS. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 6550 CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (150 x 2.1mm,1.8um) CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid CH:FLOW_GRADIENT 0 min: 1% B; 5 min: 5% B; 15 min: 99%; 23 min: 99%; 24 min: 1%; 25 min: 1% CH:FLOW_RATE 250 μL min-1 CH:COLUMN_TEMPERATURE 25 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6550 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE Other MS:ION_MODE NEGATIVE MS:MS_COMMENTS ESI source conditions were set as follows: dry gas temperature 225 °C and MS:MS_COMMENTS flow 18 L min-1, fragmentor voltage 175 V, sheath gas temperature MS:MS_COMMENTS 350 °C and flow 12 L min-1, nozzle voltage 500 V, and capillary voltage MS:MS_COMMENTS +3500 V in positive mode and −3500 V in negative. The instrument was set to MS:MS_COMMENTS acquire over the full m/z range of 40–1700 in both modes, with the MS MS:MS_COMMENTS acquisition rate of 1 spectrum s-1 in profile format. Raw data files (.d) were MS:MS_COMMENTS processed using Profinder B.08.00 SP3 software (Agilent Technologies, CA) with MS:MS_COMMENTS an in-house database containing retention time and accurate mass information on MS:MS_COMMENTS 600 standards from Mass Spectrometry Metabolite Library (IROA Technologies, MA) MS:MS_COMMENTS which was created under the same analysis conditions. The in-house database MS:MS_COMMENTS matching parameters were: mass tolerance 10 ppm; retention time tolerance 0.5 MS:MS_COMMENTS min. Peak integration result was manually curated in Profinder for improved MS:MS_COMMENTS consistency and exported as a spreadsheet (.csv). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized Abundance MS_METABOLITE_DATA_START Samples VM58_Adjacent_Kidney VM32_Adjacent_Kidney VM26_Adjacent_Kidney VM41_Adjacent_Kidney VM67_Adjacent_Kidney VM36_Adjacent_Kidney VM65_Adjacent_Kidney VM50_Adjacent_Kidney VM60_Adjacent_Kidney VM38_Adjacent_Kidney VM47_Adjacent_Kidney VM63_Adjacent_Kidney VM53_Adjacent_Kidney VM25_Adjacent_Kidney VM59_Adjacent_Kidney VM54_Adjacent_Kidney VM39_Adjacent_Kidney VM23_Adjacent_Kidney VM17_Adjacent_Kidney VM40_Adjacent_Kidney VM13_Adjacent_Kidney VM10_Adjacent_Kidney VM49_Adjacent_Kidney VM35_Adjacent_Kidney VM66_Adjacent_Kidney VM58_Primary_Tumour_CCRCC VM32_Primary_Tumour_CCRCC VM26_Primary_Tumour_CCRCC VM30_Primary_Tumour_CHROMOPHOBE VM41_Primary_Tumour_CCRCC VM44_Primary_Tumour_PAPILLARY VM31_Primary_Tumour_ONCOCYTOMA VM67_Primary_Tumour_CCRCC VM46_Primary_Tumour_CCRCC VM36_Primary_Tumour_CCRCC VM34_Primary_Tumour_CCRCC VM11_Primary_Tumour_ONCOCYTOMA VM65_Primary_Tumour_PAPILLARY VM50_Primary_Tumour_CCRCC VM60_Primary_Tumour_CCRCC VM21_Primary_Tumour_CCRCC VM38_Primary_Tumour_CCRCC VM47_Primary_Tumour_CCRCC VM63_Primary_Tumour_PAPILLARY VM53_Primary_Tumour_CCRCC VM12_Primary_Tumour_PAPILLARY VM25_Primary_Tumour_CCRCC VM59_Primary_Tumour_ONCOCYTOMA VM14_Primary_Tumour_PAPILLARY VM09_Primary_Tumour_CCRCC VM39_Primary_Tumour_CCRCC VM23_Primary_Tumour_CCRCC VM17_Primary_Tumour_CCRCC VM40_Primary_Tumour_CCRCC VM13_Primary_Tumour_CCRCC VM10_Primary_Tumour_CCRCC VM49_Primary_Tumour_CCRCC VM35_Primary_Tumour_CCRCC VM66_Primary_Tumour_CCRCC Factors Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Adjacent_Kidney | Diagnosis:- Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CHROMOPHOBE Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:PAPILLARY Sample source:Primary_Tumour | Diagnosis:ONCOCYTOMA Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:ONCOCYTOMA Sample source:Primary_Tumour | Diagnosis:PAPILLARY Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:PAPILLARY Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:PAPILLARY Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:ONCOCYTOMA Sample source:Primary_Tumour | Diagnosis:PAPILLARY Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Sample source:Primary_Tumour | Diagnosis:CCRCC Acetoacetate 4.24890338 4.39870329 4.42438836 4.09205953 4.35803602 4.64073042 4.59580328 4.34300476 4.64471379 4.34423288 4.09716682 4.08923792 5.07338942 4.52402285 4.06615709 4.01725005 4.17046115 4.6473025 4.31402431 4.26101416 4.32545601 4.30157657 3.92983598 4.22529423 3.97567674 4.17314318 4.60349526 4.35850702 4.30217235 4.14517117 4.7571895 4.53527466 4.62722101 4.33709682 4.31276489 4.55545524 4.99865535 4.64017391 4.29253161 5.07374798 4.31592801 4.39112124 3.98749049 4.35935718 4.28637289 3.97996962 4.41440895 4.21959217 4.48412138 4.64812937 4.18986324 4.07673151 4.4148916 5.01946114 4.30458704 4.35018735 4.45461166 4.35482121 4.59905864 Acetoin 4.0899 3.7398 3.8012 4.0465 3.7952 4.0708 3.8509 3.9897 4.301 3.7131 3.9749 3.9801 4.6238 3.7669 4.0125 3.8638 3.863 4.1697 3.8271 3.9592 3.7097 3.8864 3.6628 3.9842 3.5873 4.1705 4.1747 4.1383 4.0144 4.1731 4.0763 3.7845 4.38 3.6962 3.9442 4.1283 3.9288 4.2832 4.2695 4.3319 4.2937 4.3376 3.9248 3.8162 4.4426 3.7378 4.2674 3.8621 4.0746 4.482 4.0372 3.5558 4.4899 4.9466 4.4321 4.1452 4.113 4.2389 4.008 Acetylcarnitine 6.9818 6.7806 6.8556 6.6562 6.9439 7.0501 6.7912 6.7429 7.0057 7.2641 6.7524 6.7725 6.6816 6.8158 6.8144 6.7865 6.958 7.0102 6.8091 6.8244 6.7284 7.0633 6.5106 6.8752 6.3352 6.9744 6.8895 7.1402 7.0964 6.957 7.1007 6.8196 7.0593 7.2172 6.7967 6.9503 6.9613 7.2895 7.1959 6.9001 7.1039 7.4749 6.8582 7.211 6.8036 6.9757 7.2272 7.0405 7.2537 7.3247 7.196 6.94 7.1418 6.9671 7.1931 7.0171 7.2182 7.1563 7.0949 Adenine 5.6933 5.8475 5.7796 5.7061 5.8468 5.6249 5.7594 5.86 5.7444 5.6453 5.8357 5.7209 5.2729 5.7459 5.5917 5.7266 5.7383 5.4569 5.7697 5.7976 5.383 5.5977 4.8719 5.5815 4.6476 5.3601 5.4252 5.1715 5.9088 5.5954 5.5851 5.6716 5.8241 5.644 5.9132 5.4414 5.5703 5.7351 5.6121 5.6547 5.5996 5.6329 5.5297 5.9456 5.7008 5.6076 5.512 5.6848 5.4676 5.8061 5.4068 5.7049 5.6218 5.3304 5.6849 5.5143 5.5533 5.5667 5.5239 Adenosine 6.2911 6.3206 6.6416 6.3854 6.4751 6.1393 6.3456 6.5088 5.5006 6.5501 6.5908 6.5825 6.6797 6.3411 6.6942 6.5354 6.6355 6.6798 6.4784 5.9598 5.347 6.1391 7.4422 6.2886 6.9966 5.6643 5.494 6.0294 6.5999 6.3537 6.3761 6.6202 6.4676 5.6225 4.8079 7.0398 6.7049 6.7869 6.6977 7.0167 6.8273 6.2242 6.4419 6.5459 7.0295 6.0581 6.7834 6.1375 5.937 6.7551 7.4847 5.1954 6.5967 5.5666 4.7867 6.3286 6.703 5.0165 7.0174 Adenosine monophosphate 6.8925 6.7534 6.8353 6.8204 6.9459 6.6888 6.7715 6.8397 6.6016 6.8725 6.8949 7.0449 6.0095 6.8758 6.8299 6.9951 7.0023 6.6623 6.6669 7.1907 6.6638 6.6316 5.5501 6.7105 5.6161 6.7009 6.6105 6.3572 7.3573 6.8065 6.9278 6.8951 7.0324 6.9404 6.5341 6.4626 6.71 6.929 6.7919 6.6497 6.839 6.9748 7.1694 7.1693 7.0218 6.7156 6.6936 6.817 6.8231 7.2087 6.5929 6.7877 6.6386 6.4073 6.6282 7.1603 6.9814 6.9653 6.8836 Adipate 4.6026 4.8769 4.9199 5.0628 5.0114 4.5866 4.7358 5.0892 5.1827 4.5584 5.0563 5.0182 5.4768 5.173 4.9974 5.1211 4.7149 4.7719 4.8134 5.078 5.0328 5.1004 5.3191 4.9643 4.4027 4.3434 4.522 4.1883 4.4375 4.4724 4.7488 4.7592 4.4399 4.3567 4.4794 4.5382 4.7066 4.7418 4.3292 5.0816 4.8217 4.1378 4.2104 4.479 4.2203 3.7444 4.2029 4.1722 3.6088 4.6155 4.1631 4.3559 4.1705 5.3663 5.614 3.9547 4.2574 4.4254 3.8057 ADP-glucose 4.2327 3.739 3.8025 3.7951 2.7347 3.4638 3.6193 3.9162 3.557 3.9638 3.6564 2.8384 3.8408 4.1106 3.6292 3.941 3.9048 3.4389 3.3373 4.1112 3.7289 3.6365 3.2367 4.0305 2.7152 4.029 3.396 3.4964 2.6986 3.3272 3.4727 4.0686 3.4363 3.439 3.3817 3.3233 3.6235 3.8338 3.3037 3.7004 3.2243 3.2751 4.5576 2.752 3.5454 4.7767 3.85 3.4483 3.2038 3.6327 3.2391 3.4613 3.2281 3.8984 3.0341 3.42 3.1243 2.9683 2.7737 Agmatine sulfate 2.214 2.6191 2.7954 2.2966 2.6214 2.7277 2.9831 2.5665 2.0574 2.7143 2.3008 2.2392 3.3172 2.6756 2.41 2.5413 2.3226 2.7117 2.2895 2.2236 2.6724 2.3959 3.3833 2.5931 3.0042 2.317 2.3558 2.5866 2.5741 2.7386 2.9713 2.4459 2.5086 2.4859 2.5124 2.5563 2.5332 2.2386 2.574 2.9108 2.5619 2.7903 2.6497 2.5133 2.3817 2.4235 2.6047 2.4795 2.4735 2.3905 2.4096 2.4492 2.5644 2.9947 2.5086 2.7363 2.6352 2.3053 2.3833 Aicar 4.1135 4.2077 4.2155 4.0694 4.0558 4.3658 4.2306 4.368 4.5753 4.5087 4.2077 4.2784 4.4037 3.93 4.2762 4.3584 4.4409 4.9069 4.197 4.3444 4.3727 4.2002 4.32 4.3662 4.339 4.0887 4.637 4.5183 4.1419 3.723 4.0893 4.1971 4.1993 4.2508 3.9894 4.3649 4.2582 4.7795 4.1048 5.0293 3.7195 3.9153 3.8957 4.2742 4.3584 3.8222 4.1721 3.9472 4.2714 4.3756 4.5651 4.1773 4.1474 5.2458 3.9423 3.8497 4.1594 4.7729 4.5422 Alanine 4.7923 4.9293 4.7207 4.8826 4.8695 5.2412 5.0893 4.7913 4.4824 4.8178 4.6282 4.7362 5.3682 4.9827 4.9151 4.7306 4.8237 4.6323 4.8693 4.819 4.9638 4.9809 5.4747 4.8772 5.2898 4.303 5.041 4.6089 5.0009 4.5463 5.4435 4.8909 5.135 4.8838 5.1434 4.7714 5.4169 4.9329 4.9445 5.1562 4.8459 5.0357 5.3213 4.8965 4.8849 4.7196 4.6004 4.8278 4.8432 4.982 4.8976 4.7163 4.9454 5.0217 5.0766 5.5088 5.0551 4.5652 4.7319 Allantoin 4.1711 3.24 3.198 3.1682 3.4356 3.7877 3.6034 3.4307 3.2846 3.7779 3.0506 3.7141 5.3081 3.2787 3.4486 3.4581 3.554 4.0991 3.0285 3.6055 3.6989 3.2017 2.9683 3.658 3.3713 3.9345 4.1068 3.7922 2.9801 2.7444 4.4054 3.47 3.9534 3.1732 3.3832 3.4058 5.1739 3.6649 3.5704 4.3048 2.657 2.8401 3.7503 3.1962 3.9815 3.8774 2.903 3.0577 3.5423 4.0773 3.5454 3.2953 3.2914 5.5845 3.1032 3.6616 3.6453 3.0724 3.6583 alpha-Ketoisovalerate 4.8463 4.0329 4.1964 4.1033 4.2106 4.3862 4.3417 4.1566 4.3755 4.4635 3.9508 4.2766 4.9732 4.2095 4.0545 4.1961 4.1488 5.6419 4.0684 4.224 4.3915 4.479 4.0515 4.2663 3.7157 5.2483 4.9282 4.6256 4.1405 3.7936 4.6759 4.1132 4.6714 4.4508 4.3009 4.9009 4.8162 4.9463 4.6428 5.5012 3.8507 3.8977 4.8334 4.4356 5.1941 4.357 3.8932 3.9736 4.2305 5.2597 4.843 4.2554 4.4199 6.4061 4.5147 4.6029 4.3829 4.0319 4.6728 Aminoadipate 4.454 4.6511 4.6221 4.9681 4.8914 5.4857 4.8431 4.6025 4.7078 5.0463 4.5817 4.8846 5.08 4.4453 4.8635 4.8261 4.6886 4.3583 4.7068 4.8673 4.5189 4.7932 4.4125 4.8015 4.9093 4.0364 5.1256 5.3 5.5899 5.2637 5.0704 5.3038 5.223 4.6103 4.7344 4.6147 4.5878 5.6491 5.742 5.1247 5.0739 5.6563 5.5813 5.1175 5.4387 4.4602 5.9147 5.0198 4.7611 5.1131 5.6195 4.6458 5.9569 4.769 4.6615 5.6829 6.0324 4.7619 4.8534 Anserine 3.4603 4.1443 3.8716 3.7158 3.5861 3.7201 4.6931 3.7454 3.179 3.2282 4.1128 3.9304 3.7506 4.7057 3.8827 3.6229 3.8962 3.1591 3.9877 4.4141 3.3373 3.6656 3.0836 3.622 3.5932 3.277 2.9961 3.3118 3.2167 2.5283 3.7301 3.8635 2.892 2.9785 3.0308 4.2496 3.6413 3.2775 3.1172 3.4469 3.9334 3.0692 3.1395 3.1634 3.2864 3.095 3.6345 3.117 3.097 2.7729 3.1362 3.1685 3.0478 3.4882 2.6198 3.1561 2.964 2.8017 2.9388 Arabitol 4.4479 3.6206 3.5645 3.5954 3.8545 3.4369 3.5407 3.6335 3.9287 3.9499 3.5611 3.4026 3.8636 3.7205 3.4447 3.8776 3.6105 3.6273 3.6907 3.7149 3.7151 3.8345 3.5264 3.8121 3.5437 3.7264 3.444 3.2289 3.1951 3.6255 3.4487 3.5653 3.5489 3.3997 3.725 3.7062 3.6149 3.3126 3.1911 3.7526 3.4374 3.1612 3.4004 3.1627 3.2675 3.5084 3.3973 3.3637 3.2206 3.4954 3.0109 3.4739 3.4303 3.8527 3.465 3.4376 3.2093 3.5648 3.3282 Arginine 5.1245 5.4032 5.6313 5.1888 5.3575 5.5174 5.9569 5.1829 4.7978 4.6288 5.0335 4.9687 6.1211 5.7112 5.103 5.1584 4.9827 5.3513 5.2242 5.0818 5.3798 5.235 6.4447 5.5963 6.0351 5.1169 4.9539 5.473 5.4689 5.8014 5.9655 5.3583 5.3696 5.317 5.2591 5.4119 5.4835 5.1604 5.5216 5.467 5.5231 5.4947 5.7212 5.249 5.2738 5.3514 5.2694 5.2224 5.2254 5.0838 5.2396 5.3001 5.2996 5.5831 5.2342 5.6847 5.5166 5.0014 5.2136 Argininosuccinate 2.5049 2.6686 2.6556 2.5058 2.7848 3.6246 3.2984 2.6541 2.4719 2.9228 2.547 2.5637 4.1103 2.6614 2.5547 2.6887 2.6564 2.9884 2.6812 2.7352 2.801 2.9988 3.1715 2.8557 3.3811 2.4134 3.1747 2.9418 3.5031 2.9219 3.0141 2.5491 2.6739 2.9576 2.7713 2.3784 3.039 2.9831 3.0981 3.393 3.1735 3.2213 3.3519 3.199 2.6301 2.992 3.2476 3.3716 2.6241 2.926 2.6988 2.3988 2.431 3.0889 2.572 3.3117 2.8061 2.5193 2.4086 Ascorbate 5.211 3.5085 3.9719 4.1229 3.7092 3.8278 3.5926 4.0118 4.0614 5.6436 3.6576 3.8603 4.1414 3.8147 4.0725 4.3713 4.2824 3.886 4.042 4.082 4.3085 3.9305 3.7274 3.9806 3.9391 5.0597 3.789 3.3677 3.5885 3.5921 3.6697 4.1324 3.8211 3.5687 3.7201 3.9833 3.818 4.128 3.8485 4.1358 3.8143 3.4384 3.356 3.7341 3.5513 4.08 3.7974 3.7665 3.4899 3.9123 3.7129 3.6896 3.8235 4.7556 3.9648 3.7962 3.7611 3.9202 3.7712 Asparagine 5.2587 4.5478 4.5407 4.5753 4.6557 4.7692 5.0102 4.6293 4.4182 5.0072 4.2928 4.4617 5.4877 4.8122 4.5025 4.2928 4.387 4.8989 4.5449 4.415 4.5346 4.1576 5.4564 4.5539 5.1827 4.9529 4.8393 4.6083 4.6796 4.5901 5.1224 4.6687 4.8122 4.4583 4.6092 4.6442 5.1508 4.7296 4.5578 5.1898 4.4612 4.6392 4.7683 4.4578 4.7024 4.7158 4.1179 4.5906 4.6084 4.6748 4.3175 4.7698 4.7144 5.0655 4.4778 4.6819 4.5825 4.425 4.7668 Aspartate 5.2378 5.6859 5.4198 5.5989 5.6293 6.0719 5.6986 5.5302 5.3258 5.3475 5.4407 5.4252 5.7711 5.7488 5.6351 5.4277 5.5767 5.0838 5.6156 5.5028 5.7522 5.7852 6.27 5.5986 6.047 4.6323 5.6769 5.1032 5.7852 5.0603 6.2372 5.557 5.8507 5.5969 5.9259 5.5909 6.1746 5.4915 5.7059 5.5702 5.5051 5.8876 6.0081 5.5261 5.5934 4.9686 5.4656 5.4812 5.6185 5.6671 5.5615 5.4422 5.6984 5.4936 5.8708 6.268 5.8481 5.2433 5.4798 Azelate 4.2298 5.2153 4.8812 4.9685 4.8448 4.8078 5.0271 4.8268 4.8673 4.7337 4.7761 4.6497 5.7541 4.6703 4.7416 4.8829 5.104 5.2135 4.805 4.8417 4.8045 5.1562 5.1492 5.2892 5.116 3.8821 5.1364 4.335 4.7662 4.8265 4.4604 5.0132 4.761 5.0613 4.9234 4.9852 5.0153 4.9945 4.3543 5.4181 5.0022 4.6979 3.471 4.7924 4.3142 4.4893 4.5467 4.5566 3.8333 4.6554 4.1193 4.5585 4.7781 5.7897 4.5718 3.4729 4.1564 4.714 4.7454 Benzaldehyde 3.7666 2.1923 2.5729 2.0662 2.2709 3.0792 2.3129 2.5758 2.4658 3.1005 2.1065 2.5473 2.9127 2.4424 2.5828 2.5435 2.4766 2.8423 1.9457 2.8147 2.9625 2.7878 2.6306 2.4647 2.5155 3.7763 3.2169 2.9977 2.749 2.0798 3.2212 2.5126 2.9961 2.4173 2.3578 2.5283 2.7778 2.7501 2.5424 3.1722 2.615 2.3143 2.6958 2.2145 2.5825 3.049 2.579 2.1103 2.5111 3.2413 2.9026 2.1153 2.4021 3.3413 2.702 2.816 2.5911 2.6624 2.9314 Benzoate 4.343 4.1733 5.698 4.1546 4.3661 4.3162 5.6654 4.4043 3.9608 4.252 4.1534 4.2595 6.0204 4.2887 4.339 4.5647 4.4299 4.3429 4.3997 4.3945 4.7289 4.4736 4.2439 4.5267 4.0431 3.773 4.4645 4.4744 4.8787 4.1699 4.6198 4.4117 4.5099 4.3403 4.1214 4.4029 4.9153 4.514 4.053 4.6724 4.488 4.1591 4.0065 4.173 4.6525 3.6515 3.7665 3.9379 3.4986 4.6054 4.2094 3.9953 4.2048 5.0466 4.0482 3.8805 3.9676 4.301 4.2522 Benzylamine 4.0313 3.8859 3.9981 3.6658 3.9757 4.1403 4.1538 4.0516 3.8529 3.9281 3.6178 3.8601 4.6037 3.924 3.7783 3.7348 3.9337 4.2644 3.6651 3.926 3.8495 3.8861 3.5488 3.9476 3.7212 3.7854 3.7774 4.0517 3.949 3.7561 4.2733 3.9837 4.1588 3.8581 3.8454 3.96 4.2887 4.2168 3.7574 4.7249 3.9013 3.8064 3.7322 4.0868 3.898 3.8445 3.8497 3.7609 3.8568 4.2128 3.9993 3.7538 4.0232 4.8219 3.9105 3.7446 3.6924 3.6851 4.0227 Betaine 6.7332 6.4663 6.5348 6.7155 6.9085 6.8743 6.7646 6.6954 7.3067 7.9251 6.4639 6.6093 6.7027 6.6434 6.5805 6.9388 6.8345 6.6718 6.73 6.7748 6.6869 6.7043 6.2694 6.7422 6.7989 6.674 6.834 6.4879 6.66 6.7437 7.1628 6.7662 6.4366 6.6597 6.9456 6.6321 6.8439 6.9715 6.8316 6.7704 7.0892 7.2412 6.8637 6.803 6.6768 6.7065 6.7462 6.8938 6.9506 6.9072 6.864 6.4297 7.2128 6.9302 6.0773 6.92 6.7362 7.1259 6.5018 Betaine aldehyde 4.0865 4.2678 4.2425 4.3735 4.5442 4.1234 4.4277 4.3932 3.7171 4.3566 4.4274 4.4896 4.5864 4.5307 4.3298 4.2684 4.167 4.3345 4.591 4.2108 4.2524 4.3345 4.328 4.3995 4.3025 4.3265 4.3349 4.2147 4.5787 4.3414 4.6576 4.1878 4.4646 4.6756 4.9016 4.1975 4.5227 4.3893 4.541 4.269 4.7456 4.6719 4.5457 4.5481 4.2835 4.263 4.7606 4.4925 4.7441 3.9334 4.1667 4.2617 4.7053 4.5179 4.7282 4.4113 4.1589 4.752 4.2369 Biliverdin 4.3297 2.7129 2.9499 2.7437 2.7401 3.0091 3.4265 3.1397 3.4195 3.7282 3.1343 3.2298 4.167 2.5412 3.028 3.011 2.8627 3.0574 2.9262 2.733 3.0717 3.5587 3.5259 3.273 4.1765 4.0811 4.3149 4.4949 2.8867 2.7741 4.0044 2.8555 4.0615 3.5832 2.7454 2.9156 3.1016 3.5159 4.186 3.4743 2.7663 3.0161 4.4949 3.3227 4.6719 3.5793 3.1106 3.2547 4.9276 4.5773 5.0987 2.6824 4.1052 4.0563 3.3037 4.8336 4.3689 2.6615 4.5657 Biotin 3.8863 3.1431 3.3191 3.1789 3.1772 3.3443 2.5488 3.3692 3.7544 2.5892 3.1878 3.2302 3.1515 3.2309 3.3736 3.6618 3.7338 3.5295 3.1023 3.4548 3.6469 3.2251 3.6381 2.7963 3.9538 3.333 3.4958 3.5051 3.3368 3.1788 3.614 3.3456 3.4162 2.81 2.3573 3.2187 3.6033 3.6087 3.1341 3.601 3.2448 3.2215 2.5432 1.8354 3.3203 4.252 2.1903 2.4109 2.7545 3.7238 3.2249 3.0397 3.2502 4.2624 3.4462 2.6619 2.6919 3.2663 3.6207 Bis(2-ethylhexyl)phthalate 4.1939 3.988 4.3389 3.8495 4.4087 4.1102 4.5572 4.0118 4.0183 4.3884 3.8051 3.9029 4.8282 4.2675 3.8664 3.9179 4.0319 3.2391 3.7735 4.0033 3.9826 3.9344 3.8099 4.128 3.9092 4.3923 3.3151 4.1212 3.9789 3.7865 4.4746 4.0631 4.0846 3.9869 3.8116 4.2594 4.3993 4.2924 4.0567 4.6803 3.8469 4.0953 3.8464 4.1378 3.868 4.1187 3.596 4.18 3.8399 4.0427 3.8078 4.1946 3.9498 4.6957 3.8785 3.7827 4.0435 3.7897 3.961 Butanoate 4.7809 4.3785 4.6206 4.6321 4.4861 4.1979 4.4203 4.7015 4.7334 4.1868 4.4856 4.7554 4.6497 4.9591 4.7301 4.7755 4.2806 4.458 4.623 4.7351 4.9639 4.6156 4.9479 4.695 4.5509 4.7895 4.1747 4.4064 4.3306 4.1815 4.1522 4.3859 4.0347 4.148 3.9275 4.2471 4.334 4.4505 4.428 4.6098 4.3695 4.2126 3.7911 3.9827 4.186 4.0634 4.6085 3.9331 3.8272 4.3936 4.2589 4.1901 3.841 5.136 4.2939 4.2581 4.4415 4.2352 4.4473 Caffeate 5.2491 3.7635 4.2432 3.2254 3.5551 3.7903 3.1433 3.8563 4.6694 5.5372 3.9488 3.8703 3.0644 4.2626 3.9829 4.2407 4.5219 3.8067 3.9598 4.0576 4.2478 3.767 3.9902 3.861 4.1041 4.6914 3.6205 3.3504 3.0938 3.3598 3.3296 4.1204 3.5267 2.3164 2.5443 3.7082 3.5692 3.8048 2.7647 4.0495 3.2353 3.0783 2.2617 2.62 2.2806 4.4752 3.3684 1.8801 1.8147 3.6131 3.5151 3.2034 3.1337 4.3092 3.4291 2.2083 2.0541 3.2533 3.4463 Caffeine 3.4611 4.6391 5.23 3.2596 4.8228 5.2791 4.6736 5.4035 5.4571 4.1887 5.2333 4.7968 5.2144 5.7401 4.8811 4.6335 5.5174 5.6987 3.308 5.4319 3.8539 4.1784 4.233 4.2566 2.2231 2.9972 4.2036 4.9154 4.4914 3.3466 4.7958 3.9738 4.5658 3.741 4.8763 5.1474 4.4503 5.2193 5.1667 6.3785 5.2214 3.2495 4.8666 5.3683 3.8208 3.3948 5.9011 4.0141 3.4979 2.8535 5.6215 5.0716 3.1921 6.7368 3.7385 3.5417 3.7693 3.889 2.162 Carnitine 6.5336 6.7917 6.5706 6.8318 7.0071 6.4341 6.8572 6.7546 6.3172 7.0458 6.8495 6.7723 6.9781 7.0162 6.6561 6.718 6.652 6.812 6.9747 6.6741 6.4445 6.7848 6.7808 6.8294 6.6743 6.7817 7.028 6.679 7.1165 6.7955 7.0894 6.5552 7.0068 7.1831 7.4492 6.6518 6.9832 6.8216 6.9972 6.6168 7.202 7.1883 7.0052 7.0933 6.7718 6.9051 7.2205 6.9863 7.2279 6.481 6.7942 6.7535 7.1757 6.9254 7.2883 6.9187 6.7058 7.251 6.6847 Carnitine (12:0) 5.3688 4.3351 4.0993 4.4374 4.3953 5.1394 3.7342 4.5601 5.9254 5.5986 4.6656 5.0804 4.4072 4.1233 5.1173 5.2298 4.8966 4.4286 4.2786 4.3383 5.2702 5.4284 5.471 4.5981 4.4895 5.5813 4.8407 5.0897 4.6534 4.5761 4.5725 4.6417 4.387 5.0027 4.0279 4.8666 4.48 5.2341 5.4874 4.7361 6.1213 5.6115 4.2118 5.2794 5.1737 5.5343 5.3875 5.4192 4.6781 4.2544 5.1672 4.8681 4.7946 5.3951 4.3669 4.8659 5.872 4.6214 5.3877 Carnitine (14:0) 5.0166 3.9241 3.7806 3.8536 3.7992 4.7989 3.1997 4.1937 5.3479 4.8151 4.1928 5.0567 4.2863 3.5481 4.7911 4.5037 4.3332 3.7759 3.8081 4.81 4.6926 4.5158 5.4092 3.467 4.4175 6.1711 4.9662 5.5861 4.6326 4.0518 4.2493 4.1527 4.1277 4.382 3.6123 4.0441 3.9474 5.0668 5.7628 4.0212 4.7426 5.036 5.0434 4.1219 5.5539 5.1033 4.6017 5.2446 5.5316 4.2113 5.5388 4.2708 4.4442 4.2853 3.7922 5.4911 6.1043 3.955 5.2748 Carnitine (16:0) 5.7426 4.3919 4.2516 4.2247 4.2486 5.0091 3.8433 4.2023 5.342 5.8665 4.3054 5.4795 4.9829 3.5092 5.4791 4.795 4.3747 5.0925 4.2261 5.841 4.7022 4.345 5.2946 3.9863 4.9338 7.0629 5.5256 6.1583 5.6617 4.5039 4.611 4.2837 5.1215 4.0958 4.018 4.1171 4.459 5.6299 6.4233 4.2654 3.9092 5.2147 5.7616 4.675 6.3165 5.8523 5.5118 6.0453 6.4845 4.8701 5.7703 5.0352 4.9856 4.6337 4.4352 6.0742 6.7491 4.4716 6.1136 Carnitine (18:1) 5.5946 4.5647 4.0399 4.3804 4.1265 6.0527 3.8151 4.6467 6.5008 5.8627 4.7721 6.2612 5.2392 3.8987 5.3618 5.3927 5.0063 4.7389 4.6354 5.4166 4.9313 5.2078 6.5556 3.933 5.6797 7.3594 6.3682 7.1494 5.791 4.8445 5.0177 4.4141 5.3401 5.5739 4.1826 4.6104 4.9231 6.0582 6.9191 4.6062 4.0582 5.3955 6.2863 4.79 6.9123 5.9291 6.0647 6.2262 7.0425 5.9184 6.8433 5.1327 5.8361 5.0233 4.2169 6.7099 7.4875 4.3142 6.6384 Carnitine (3:0) 5.6524 5.9254 5.6221 5.9434 6.1274 4.8921 5.8336 5.6948 6.5338 6.8806 6.1111 5.6379 5.3628 6.1118 5.7689 5.7144 5.9101 5.1795 5.9167 5.4963 5.6929 6.1454 5.661 6.1358 5.0906 6.2781 4.9195 5.3305 5.5718 5.8532 5.733 5.6808 5.1402 5.8946 5.8155 5.9457 4.91 5.4034 5.7454 4.9448 6.004 5.9153 5.5555 6.254 5.5489 6.4686 5.8118 6.1639 6.743 5.1916 5.1999 5.6236 5.5518 5.4003 5.9065 5.6861 5.5653 6.2984 5.0072 Carnitine (4:0) 6.6494 6.6071 6.6028 6.6518 6.7331 6.756 6.6787 6.6297 6.6935 6.9937 6.5938 6.8378 5.705 6.5692 6.6586 6.7941 6.8027 6.442 6.7074 6.7099 6.7751 6.5827 6.1998 6.4652 5.8679 6.5198 6.221 6.1432 6.6936 6.5788 6.5506 6.5969 6.3614 6.5358 6.5033 6.5203 6.2771 6.8751 6.535 6.095 6.8196 6.7581 6.1414 6.8216 5.8864 6.3547 6.6019 6.2837 5.791 6.449 6.513 6.6771 5.9672 6.3026 6.7065 6.3761 6.4985 6.7587 6.3218 Carnitine (6:0) 5.5215 5.472 5.6539 5.8391 6.0191 5.7275 5.3947 5.4127 5.79 6.5915 5.6475 5.0655 4.8828 5.6728 5.7268 5.9324 5.8004 5.7065 5.8409 5.6166 5.6667 5.4778 5.4471 5.4836 4.6825 4.7476 4.5582 4.3805 5.0501 5.7182 4.5862 5.5594 4.3464 5.1794 5.7369 5.7015 4.7174 5.8803 4.7991 5.4877 6.2902 5.8215 3.8989 6.164 4.4262 5.4359 5.7609 5.6425 4.0461 4.4343 5.2533 6.038 4.5649 5.0483 6.0303 4.0515 4.8138 6.0461 4.7872 Carnitine (8:0) 5.0663 4.3459 4.4763 4.4337 4.7874 5.1366 4.2164 4.6172 5.1491 5.9233 4.2954 4.1709 4.425 4.4187 5.1798 5.3749 5.1304 5.3248 4.4743 4.5843 5.2931 4.9102 4.2706 4.9085 4.0658 4.2315 4.4018 4.1306 4.4627 4.6861 4.288 4.5535 4.1525 4.5131 5.3217 5.0426 4.7024 5.2099 4.6172 4.9987 5.8931 4.945 3.3193 5.3157 4.4492 4.9984 5.2286 5.2882 3.7635 4.3229 5.0166 5.0758 4.4641 5.1725 5.6726 3.7532 4.7511 5.5791 4.8985 Carnitine (glutaryl) 4.7707 5.1401 5.219 5.2653 5.1983 4.5582 5.3067 5.5728 5.2728 4.2432 5.6382 5.7333 5.2867 5.1379 5.2232 5.3899 5.1842 4.8251 5.3101 5.4539 6.0476 5.1104 5.168 5.2552 4.2986 4.998 4.5279 4.8679 5.0122 4.4485 4.1287 5.556 4.6135 4.5033 4.2276 4.0434 4.3277 4.8585 4.8147 4.9391 5.437 4.0269 4.6074 4.9307 4.5782 4.7389 5.591 4.3971 4.4053 4.3093 4.3932 4.1989 4.8405 5.0026 4.2039 4.5551 4.4565 4.5325 4.1869 Carnosine 3.4927 3.818 4.0074 3.8345 4.165 4.5748 4.7483 3.7792 3.1588 3.489 3.8158 3.6922 3.8857 4.2181 3.9993 3.1788 3.8769 3.7485 4.0329 3.9985 3.7202 3.833 4.9486 4.0686 5.4789 3.5089 3.4169 3.5162 3.5129 3.042 3.6423 4.0681 3.1487 3.5584 3.6 3.9139 4.1574 3.2405 3.1694 3.9294 3.4694 3.5081 3.3815 3.1325 3.8389 3.2827 2.8824 3.0891 3.234 3.0798 2.8902 3.6441 3.2533 3.9593 3.3368 3.3324 3.3115 3.1516 3.629 CDP-ethanolamine 4.6407 5.5512 5.7119 5.7227 5.6944 5.8728 6.0377 5.487 5.4207 4.3007 5.7139 5.4279 5.6245 5.7426 5.3842 5.7427 5.3414 4.9476 5.7721 5.4798 6.0835 5.6997 5.1558 5.6597 5.9669 4.5704 5.392 5.2166 5.835 5.7436 5.3625 5.6871 5.9169 5.8006 5.8749 5.9501 5.4201 5.2724 5.6653 5.5421 5.823 5.8521 5.8014 5.6352 5.4947 4.4573 5.5738 5.7856 6.3523 5.2949 5.11 5.9186 5.7204 4.5916 6.3357 5.7393 5.9255 5.9498 5.4777 Cholate 2.9628 3.0531 3.5922 2.5998 2.6467 4.5077 3.2512 2.9755 4.7341 3.1168 3.7994 3.5521 4.4722 2.3688 3.3062 3.1011 2.9096 3.7565 3.2517 2.9686 2.3953 2.4321 2.8284 3.3945 3.4295 2.9421 3.7659 4.2023 2.949 1.9956 3.3001 2.6325 2.5127 2.4821 4.0952 4.2589 3.4839 3.6342 3.0094 4.957 2.5541 2.8699 3.026 3.4464 4.3583 2.4677 2.0357 2.3252 2.5416 3.2371 3.3315 2.5116 3.6434 5.6285 1.442 1.9868 2.611 2.4501 3.5354 cis-4-Hydroxyproline 4.1161 3.832 3.7819 3.6753 3.8119 3.8326 4.0152 3.6922 3.7545 4.1188 3.4632 3.6715 4.4292 3.6307 3.792 3.468 3.712 3.9258 3.9419 3.6932 3.7861 3.6207 3.6103 3.6931 3.7797 3.7372 3.9822 3.5838 3.7368 3.599 3.9727 3.8098 4.0133 3.4339 3.7308 4.0686 4.2034 4.0085 3.6137 4.4767 3.5015 3.4602 3.6465 3.6834 3.6936 3.5767 3.0075 3.5951 3.839 3.9622 3.5923 3.8381 3.8757 4.5537 3.5723 3.8645 3.77 3.6181 3.9237 cis-Aconitate 5.3791 4.2804 4.4769 4.3374 4.2102 4.4627 4.11 4.4535 5.06 4.8442 4.3306 4.6696 4.2904 4.0726 4.5247 5.4476 4.7064 4.5382 4.4475 4.6657 5.2244 4.7894 4.537 4.4434 4.5227 5.7615 5.1734 4.9072 4.5671 4.5053 4.5668 4.5737 5.0622 4.8421 4.3433 4.9024 4.7368 4.906 4.886 4.8276 4.9109 4.8683 4.5516 4.7298 4.8917 4.7807 6.0009 4.8423 4.8602 5.0845 4.9638 4.4109 5.0838 5.0276 4.4531 5.1305 4.5505 4.7598 4.8031 Citicoline 4.2543 4.0053 4.1123 4.1285 4.2664 4.5332 4.618 4.1228 4.0203 4.5463 4.0221 3.723 4.3397 4.5434 3.9152 4.2661 3.963 4.272 4.0958 3.9619 4.4219 4.2464 3.958 4.4851 4.8339 4.7731 4.0637 4.4046 4.5332 4.5608 4.2102 4.4024 4.3693 4.6033 4.7391 4.516 4.5235 4.087 4.3277 4.2118 4.0401 4.6294 4.3096 4.4703 4.0819 4.1746 3.822 4.491 4.4187 3.5786 4.1174 4.7513 4.5863 4.0096 4.9686 4.4091 4.2541 4.7701 4.5907 Citramalate 5.855 5.4297 5.1527 5.169 4.9173 4.4348 4.5116 5.6912 4.8791 4.5309 4.8658 5.5876 4.7857 5.0626 5.1622 5.4244 5.1242 4.5369 5.3668 5.4878 6.2629 5.0808 5.3138 5.1975 5.2414 6.0213 5.0685 4.4528 4.1657 4.0773 4.3405 5.4816 4.4893 4.282 4.5515 4.3622 4.4476 4.2859 4.5401 5.2697 4.1509 4.3335 4.2972 4.2843 4.5298 4.1251 3.851 4.1071 4.2979 4.5155 4.3187 4.378 4.5371 5.2688 4.5643 4.6944 4.4495 4.2601 5.0133 Citrate 7.9696 5.9684 6.4145 6.6818 6.5207 7.0291 6.1758 6.4315 7.0318 7.0924 6.3353 6.7633 6.9801 6.4847 6.7237 7.2009 6.9041 7.2447 6.3791 6.8183 7.0698 7.1244 7.0111 6.9377 6.9164 7.996 7.3196 7.2175 7.0407 6.7289 7.0471 6.5306 7.456 7.2506 6.9372 7.3031 7.0292 7.2648 7.3307 7.3547 7.1858 7.3515 7.3751 7.0897 7.4333 7.3729 7.5291 7.2427 7.2497 7.3553 7.3199 6.8957 7.1664 7.8534 6.7858 7.5063 7.2525 7.201 7.1719 Citrulline 4.2617 3.6267 4.1494 3.4752 3.4175 4.341 4.151 3.6446 3.4084 3.9977 3.3668 3.6092 4.7237 3.5561 3.3943 3.5219 3.1715 4.1336 3.7823 3.391 3.5135 3.7153 3.3271 3.7295 3.6152 4.1438 3.8324 4.3125 4.3252 4.1053 4.4588 3.8721 4.2074 4.2217 3.9215 4.4145 4.3433 4.2462 4.0938 4.6031 4.1932 4.3088 4.2349 4.0841 4.2243 4.1739 4.1866 3.7522 4.0203 4.1735 3.9667 3.6464 4.0685 4.855 3.5786 4.6046 4.0813 3.9723 4.0659 Cortexolone 3.2373 2.9348 3.1781 2.8953 2.9175 3.015 2.9545 3.3858 3.0355 4.2975 2.8365 3.3029 4.2432 2.8249 3.4846 3.0514 3.269 3.0486 2.6707 3.128 3.3164 3.5694 2.8279 3.1633 3.3307 3.2464 3.2582 3.5235 2.8404 2.8358 2.636 2.865 3.0545 2.8603 3.0088 2.6284 3.3988 3.6215 3.3902 3.164 2.6181 3.2659 2.0622 3.1357 3.4146 3.0111 2.7939 3.0041 2.7668 3.2774 3.3695 3.0456 2.7514 3.896 3.4397 2.4624 2.6517 2.7519 3.259 Cortisone 3.9083 3.4145 3.3536 3.5426 3.6625 2.9919 3.4615 3.6149 3.0579 3.4729 3.6119 3.5378 3.6457 3.2214 3.5503 3.71 3.585 2.7671 4.0079 4.0799 3.7698 3.4199 3.4965 3.5529 3.265 3.5612 2.9134 2.967 3.1461 2.7556 3.0168 3.0777 3.0643 3.0113 2.4639 2.5225 2.8262 3.1069 3.1029 3.4631 3.1653 2.9632 2.4854 3.0895 2.9148 3.1698 2.9129 3.0913 2.8953 2.9679 2.9752 2.6824 3.5459 3.5055 2.6513 2.8991 3.0782 2.8783 3.0558 Creatine 6.827 6.8187 6.8644 6.889 6.6141 7.0079 6.7775 6.7565 6.685 6.8575 6.9549 6.6942 7.2006 6.6899 6.8525 7.0404 6.9135 6.9507 6.7598 6.8163 6.9155 6.8107 6.8091 6.9186 6.7631 7.1398 6.706 7.2491 6.8646 6.8928 6.7515 6.7337 6.7303 7.0912 7.2877 7.406 7.0387 6.7841 6.87 7.7145 6.689 6.6207 6.6854 6.5431 6.8961 6.3456 6.8881 7.0037 6.9257 7.3103 6.8323 6.985 7.2807 6.8757 6.9198 6.7175 7.2431 7.1497 7.5938 Creatinine 6.8505 6.4204 6.8466 6.3291 6.4425 6.5414 6.5917 6.7364 6.4001 6.2798 6.466 6.4755 7.0212 6.4852 6.4169 6.9339 6.6365 6.6154 6.3571 6.629 7.2225 7.0169 6.5304 7.0521 6.5193 6.8535 6.3362 6.5668 6.2576 6.2392 6.1448 6.9373 6.1515 6.4659 6.8381 6.6882 6.4106 6.2315 6.1842 7.1075 6.1313 6.0383 6.0567 6.0876 6.206 6.2403 6.0904 6.2827 6.1494 6.4783 6.3404 6.5001 6.4366 6.9458 6.4801 6.4575 6.5639 6.4911 6.9335 Cyclic ADP-ribose 5.0831 6.4496 6.268 6.6463 6.4988 5.9437 6.2384 6.7983 5.8339 5.2514 6.4807 6.4968 5.4225 6.3751 6.4808 6.5761 6.5482 5.7039 6.4506 6.5216 6.4933 6.5518 5.8951 6.537 6.5065 5.2448 5.8166 5.1926 6.7448 6.5525 6.2791 6.5544 6.5037 6.1461 6.2033 5.491 5.7532 5.8187 6.3012 5.993 6.2951 6.0748 6.283 6.3286 6.3481 5.4008 6.0228 6.5497 6.2781 5.5346 6.5397 5.9011 6.8633 5.5138 6.0973 6.3583 6.1102 6.4925 6.4743 Cyclic AMP 4.5169 4.3782 4.6497 4.7789 4.7176 4.4725 4.3299 4.3162 4.0139 4.0886 4.3501 4.6893 4.3394 4.5339 4.2626 4.9017 4.5769 4.6676 4.1837 4.561 4.3267 3.8358 3.6579 4.6339 3.2987 4.2905 4.5321 3.9517 4.4802 4.4238 4.4935 4.3671 4.4308 4.2428 5.1179 5.3458 4.8457 4.394 4.7052 4.1996 4.4064 4.9744 4.4201 4.4067 4.8065 3.9217 4.9836 4.4039 4.51 5.1877 4.4628 4.6528 4.5957 4.6432 4.4399 4.8194 4.9049 4.8807 5.0055 Cystathionine 4.0198 4.5205 4.4063 4.4252 4.9193 5.165 5.4747 4.7803 3.8169 3.7293 4.2963 4.6672 5.8965 4.5724 3.7526 4.333 3.9678 5.4403 3.9263 5.0703 4.0592 4.8221 4.5688 4.2157 3.5906 4.2421 5.8137 5.6066 5.0822 4.9581 5.6562 4.8932 5.5938 5.8115 4.7399 3.7456 5.897 5.9171 5.7824 5.0655 4.6934 4.2168 5.1736 5.1299 5.5331 4.3306 4.8143 4.7054 4.5124 5.95 5.7271 4.0422 4.9309 4.5434 3.4903 5.3926 5.3638 4.4759 4.5381 Cysteine 4.1808 3.7706 3.5916 3.8749 2.9853 2.8671 3.3707 3.7344 3.2897 3.8613 3.6396 3.6671 3.6563 3.398 3.6349 3.2514 3.4456 2.9465 3.6212 3.7871 3.6435 2.7094 4.0514 3.7496 3.8338 3.7828 2.6912 3.5406 2.9793 3.5884 2.9089 3.4285 3.1529 2.7672 2.7835 3.2377 3.0365 3.3011 3.1384 3.1495 3.6949 3.0474 3.0888 3.078 2.6522 3.6825 3.1219 2.8862 2.8032 2.776 3.4462 2.8353 2.1248 4.1367 3.1481 3.0198 3.6469 3.1334 3.0733 Cystine 4.4133 4.8665 4.6344 5.0086 4.1047 3.5658 4.4035 4.8292 3.5695 4.3651 4.8032 4.7879 4.696 4.4508 4.6736 4.1929 4.3927 4.2698 4.6402 4.8862 4.6092 3.7974 5.2396 4.9255 5.0443 3.9472 3.6316 4.5264 3.8463 4.5234 4.0218 4.266 3.5722 3.5425 3.2301 4.1026 4.0318 4.1918 3.8449 4.4034 4.6667 3.803 3.9196 4.016 3.3156 4.0472 3.497 3.6408 3.3481 3.7498 4.4652 3.6132 2.9771 5.0702 3.8566 3.7516 4.7016 4.2218 4.0432 Cytidine 5.3041 5.9193 6.0086 5.9849 6.0924 5.9738 6.037 6.0102 7.0417 6.9189 5.8646 5.9937 6.0812 6.0337 5.6461 5.9052 5.9061 5.2478 6.091 5.8708 6.3183 5.4503 5.5331 5.9743 5.7313 5.6606 5.5715 6.0847 6.5345 6.4428 6.9069 5.9888 6.3382 5.9066 5.7851 6.3382 6.3251 5.9841 6.1011 5.6629 6.2088 6.1918 6.2782 6.2869 6.0866 4.7772 5.9162 6.6771 6.3155 6.1067 5.6245 5.5698 6.6749 5.6501 6.579 6.1343 6.1816 6.1209 6.1796 Cytidine cyclic phosphate 4.9899 3.9217 3.8313 3.7986 3.7835 4.3908 3.8451 3.873 4.1873 5.1873 3.754 3.851 4.3547 3.9957 3.8918 3.9586 3.6566 4.7288 3.8402 3.8384 3.9373 4.0593 3.7821 3.818 3.603 5.2838 4.387 3.9188 3.9089 3.7313 3.986 4.2288 4.0399 3.8752 3.9713 4.3565 4.1089 4.0031 3.7787 4.6809 3.6591 3.8355 3.7645 3.925 3.811 5.4816 4.1406 3.801 3.8917 4.1502 3.7771 3.9685 4.1175 4.684 4.1434 3.9957 3.8155 4.0465 4.6952 Cytidine diphosphate 4.3336 3.9167 4.004 3.8969 3.5358 3.735 3.8375 4.0428 3.4659 4.0459 4.2393 4.1696 3.7328 4.0132 4.0141 4.0978 3.5378 3.8558 4.3051 3.973 3.6601 4.3163 4.039 3.8563 4.9062 3.8061 3.5117 3.3072 3.134 2.9553 3.8793 3.6305 3.5616 3.2396 3.5598 3.9155 3.6012 3.4937 3.2347 4.1661 3.6682 3.1344 4.2792 3.3018 3.7407 3.6604 3.2183 3.2174 3.3249 3.7243 3.4394 3.1852 3.2256 4.042 3.2848 3.7085 3.7156 3.4579 3.2676 Cytidine monophosphate 4.7141 5.5011 5.4135 5.6503 5.6604 5.7266 5.5935 5.5065 5.5734 4.6372 5.4523 5.4566 5.5941 5.5795 5.3179 5.4837 5.6162 5.9731 5.4196 5.6391 5.2513 5.7075 5.1938 5.6316 5.5216 5.5031 5.733 5.9885 6.0296 5.515 5.84 5.4939 5.7323 5.7716 5.785 5.6667 5.8014 5.7596 5.7278 5.8956 5.6084 5.4176 6.1279 5.974 6.0229 5.2564 5.8263 5.8204 5.9503 6.033 6.0224 5.7883 6.2358 5.5128 5.6417 6.0133 6.0676 5.8904 6.1179 Cytosine 4.8813 4.735 4.9028 4.6136 4.6759 5.1104 5.0948 4.7593 4.5139 4.1393 4.7123 4.5143 4.6727 4.8599 4.4968 4.7652 4.4811 4.5611 4.6866 4.4737 5.2042 4.8872 4.4597 4.7465 4.8531 4.8319 4.6619 4.6473 4.9987 4.9894 4.863 4.8701 4.9299 5.1693 4.8794 4.9837 4.7688 4.8359 4.7181 4.8465 4.6931 5.0081 4.5593 4.9318 4.4813 4.4767 4.4226 4.7067 4.9397 4.3044 4.4809 5.0071 4.946 4.2904 5.1363 4.7906 4.6477 4.9181 4.9393 Decadienoylcarnitine 3.7247 3.6312 3.3579 3.5822 3.4494 3.5828 3.4142 3.4279 3.6502 4.5222 3.4728 3.3213 3.6779 3.6938 3.3046 4.0834 3.8223 3.9776 3.6191 3.3279 4.0849 3.7801 3.5798 3.7972 2.9204 3.0979 3.4307 3.3022 3.9201 3.5661 3.1768 3.6024 3.0232 3.9795 3.5446 3.4783 3.8913 4.2449 4.0757 4.0862 4.9396 4.3113 2.5977 4.0547 3.2649 3.7129 4.6081 3.5666 3.2002 3.2657 3.3261 3.5019 3.4443 4.3614 3.6005 2.8945 3.9911 3.3652 3.3633 Decanoylcarnitine 5.672 4.9393 4.6015 4.7094 5.0523 4.9818 4.1943 4.4532 5.5193 5.8201 4.5511 4.7864 4.6986 4.4174 4.9281 5.404 5.1839 5.1605 4.4005 4.8158 4.9438 5.116 4.8518 4.9537 4.2116 5.0224 4.6227 4.701 4.7032 4.6101 4.6178 4.7051 4.6024 4.9492 4.8496 5.1258 5.009 5.2328 5.1395 5.3917 6.1525 5.4204 4.1564 5.5746 5.2744 5.3592 5.3239 5.3574 4.4687 4.4721 5.1906 5.3842 4.7537 5.8609 5.0966 4.4303 5.1434 5.242 5.6479 9-Decenoylcarnitine 4.8885 4.3736 3.4262 4.3278 4.816 4.3509 4.0756 4.248 4.5624 5.3391 4.5104 4.1299 4.7199 4.4963 4.1272 4.9302 4.6481 5.1858 4.3955 4.0813 4.5623 4.7201 4.4689 4.6072 3.9408 4.2494 4.3857 4.4121 4.4385 4.5054 4.3161 4.653 3.9082 4.9672 4.5664 4.5678 4.7393 5.0053 4.7875 5.0382 5.9323 5.1755 3.687 5.015 4.5977 4.5471 5.3106 4.4555 4.0859 4.3642 4.6971 5.0012 4.3684 5.5383 4.4802 3.9815 4.8241 4.4113 4.93 Deoxyadenosine 2.8191 2.7267 3.0028 2.605 2.7493 2.9811 3.0046 3.0047 2.8558 3.9256 2.5914 2.6864 3.7251 2.9488 2.9144 2.8039 3.0883 3.4373 2.6125 2.839 2.9108 3.1274 3.2002 2.882 3.255 2.8143 3.6292 3.246 2.7756 2.7996 3.0497 2.8884 3.0561 2.6688 2.8081 3.3365 3.3339 3.1227 3.1817 3.6201 3.1394 2.8501 3.0785 2.8671 3.3345 2.7573 3.4871 2.8394 2.8019 3.5985 3.6683 2.8345 3.1987 3.6078 2.5588 2.8965 2.8976 2.8832 4.2983 Deoxyadenosine monophosphate 4.2945 3.4374 3.2792 3.4516 3.3296 3.7138 3.5144 3.5181 3.4287 4.1146 3.4259 3.3243 3.8106 3.2639 3.3538 3.3697 3.4352 4.0276 3.3157 3.6064 3.5352 3.3099 2.768 3.5343 3.2453 3.9881 3.6345 3.304 3.9148 3.6965 3.6602 3.3096 4.2433 3.5857 3.8898 4.0953 3.902 4.0248 3.6269 3.8417 3.5882 3.6482 4.2188 3.8001 3.5606 3.7409 3.1007 3.4731 3.7736 3.6947 3.3837 3.8756 3.6611 4.4352 3.6786 3.6533 4.0173 3.7198 4.337 Deoxycarnitine 6.0101 5.5502 5.6254 5.7174 5.5784 6.1288 5.8552 5.5611 6.4931 6.5973 5.8512 5.8908 5.9521 5.9165 5.6437 5.7759 5.876 6.0104 5.697 5.6949 5.9364 5.5922 5.7029 5.7692 5.6456 6.0247 5.7842 5.9042 6.2832 5.8525 6.091 5.9832 6.0501 5.9649 6.2778 6.1348 5.9821 6.0659 6.0797 5.964 5.9616 6.2171 6.0855 6.5276 6.3338 6.0644 6.1878 5.5741 6.2564 6.1761 5.7727 5.9482 6.0711 5.7837 6.2072 5.9605 5.9249 6.2259 5.7776 Deoxycholate 2.8415 2.7815 2.9663 2.5398 2.7694 3.1225 2.7406 3.3534 4.0329 2.846 3.3172 3.3074 2.9316 2.7875 3.5575 3.3496 2.7382 4.0509 2.5501 3.48 3.7229 2.9193 3.4345 2.3023 3.522 3.0342 4.134 4.6809 2.5298 1.961 2.5753 2.7923 3.6536 3.1647 2.7194 3.6047 3.2396 3.6256 4.1353 4.0228 2.6879 3.6767 4.2066 3.1489 2.6377 2.4141 3.0236 2.9941 4.9129 4.1772 3.7701 2.7091 3.3579 5.0858 2.6847 3.4686 3.7113 1.9567 3.7993 Deoxycytidine 3.48 3.3054 3.3871 3.1543 3.4712 3.2469 3.5028 3.387 3.282 3.0161 3.0218 3.0828 3.4677 2.9951 3.0584 2.7149 2.9841 3.2531 3.3619 2.9844 3.4152 3.0086 3.0272 3.1211 3.3344 3.0937 3.2309 3.2691 3.0677 3.0948 3.4862 3.3138 3.0558 3.1489 3.1884 3.15 3.373 3.4306 3.3449 3.9691 2.8748 3.3395 3.0051 3.0639 3.0094 3.0087 2.3092 3.1782 3.087 2.8843 2.5453 3.2819 3.3547 4.0956 3.6335 3.1156 2.6449 3.4011 3.2388 Deoxycytidine monophosphate 4.3743 3.9412 3.934 3.6669 3.6757 4.3279 3.3358 3.9072 5.878 4.0829 3.6364 4.0666 3.7159 3.849 3.972 3.6975 3.9991 4.5921 3.7516 3.7358 4.0164 3.9326 4.6715 3.1731 3.4515 5.3679 4.3105 4.2665 3.8589 3.6128 4.2557 3.8702 4.211 3.5577 5.0832 4.4577 4.3586 4.0768 3.9387 4.4374 3.664 4.3422 3.842 3.452 3.852 6.7222 5.1426 4.2786 3.7923 4.2142 4.1657 4.5349 4.1287 5.1573 4.3437 3.4969 3.4424 3.6957 4.5829 Deoxyguanosine 3.8733 3.5616 3.3536 3.3944 3.0722 3.8124 3.5015 3.2408 3.2629 3.5182 2.9943 3.1956 3.7753 3.2088 3.112 3.3941 3.5258 4.1901 3.3418 3.3632 3.1057 3.3797 3.5704 3.2902 3.4528 3.6697 3.5392 3.3604 3.3253 3.2216 3.276 3.2222 3.354 3.4177 3.7621 4.1456 3.5233 3.2122 3.1761 3.5386 3.3664 3.1697 2.9898 3.2717 3.3417 3.3529 2.8081 3.2206 2.8072 3.7013 3.5701 3.694 3.8344 4.4106 3.2394 3.0559 3.6199 3.1805 4.4957 Deoxyguanosine monophosphate 7.7138 6.9923 7.3394 6.7504 6.9576 7.0237 7.1245 7.0615 7.4888 7.8333 6.9505 7.2406 6.8561 7.355 7.2837 7.0436 7.1008 6.9216 7.2613 7.0156 6.8068 6.9202 5.997 6.9555 6.1723 7.3137 7.1298 6.6014 7.0886 6.7231 7.2849 7.1285 7.2953 7.3125 7.1926 6.8642 7.2526 7.3753 6.9579 7.1654 6.8969 7.0299 7.1016 7.3319 7.396 7.3212 7.6583 6.9122 7.0184 7.3971 6.8392 6.7342 6.8484 7.1127 7.2181 7.1479 7.1223 6.9547 7.2231 Deoxyinosine 3.2503 4.1081 3.8413 3.4298 3.3865 3.6436 4.0455 3.5111 3.1069 3.092 3.012 3.2737 3.4392 3.0515 3.1416 3.0356 3.281 4.1256 3.6877 3.2511 2.6734 3.2119 2.7962 3.2236 2.584 3.7991 3.4501 3.2236 3.2706 3.8474 3.1971 3.3809 3.0537 3.6497 3.6451 3.889 2.832 2.9762 3.1864 3.3574 3.6454 3.1192 2.9334 3.3116 2.7356 3.0334 3.1796 3.1066 2.6555 3.4058 3.6091 3.8635 3.5127 4.1988 3.5125 2.7555 3.079 3.3024 3.2366 Deoxyribose 2.8477 2.8012 2.7864 2.6932 2.9649 2.9357 3.0618 2.6791 2.8514 3.235 2.4619 2.466 3.4162 2.7935 2.48 2.6035 2.6658 2.7185 2.6673 2.7829 2.6535 2.9111 2.7117 2.7627 2.8133 2.6526 3.1449 2.7786 2.8546 2.8782 2.9637 2.7751 2.8522 2.762 2.9651 2.8987 2.8927 2.8493 2.6068 3.3603 2.6344 2.7786 2.7023 2.5529 2.6222 2.788 2.6846 2.652 2.8084 2.9459 3.0038 2.8241 2.6695 3.069 2.642 2.7409 2.6685 2.6535 2.6721 Deoxyuridine 4.5466 4.3351 4.373 4.3191 3.5576 3.9628 4.393 4.4852 3.902 3.9691 4.3031 3.8903 5.0415 4.6324 4.308 4.6433 4.9805 4.5357 4.4684 4.5152 4.59 4.3195 3.9937 4.4288 4.077 4.4696 4.0711 4.1673 3.3739 3.5872 3.9638 4.4421 3.6384 3.6381 3.5413 3.9529 4.2147 4.1594 4.102 4.5225 4.0224 3.545 3.4268 3.4424 3.9469 3.718 3.7649 3.3589 3.3455 3.9553 4.4641 3.564 3.7365 4.9474 3.4794 3.8376 3.9493 3.5542 3.7907 Deoxyuridine monophosphate 4.2942 3.1925 3.1706 3.3015 3.5146 3.3824 3.3001 3.3136 3.0547 4.5295 3.0843 3.2164 3.7128 3.2865 3.2494 3.22 3.2596 3.4731 3.2354 3.3024 3.2057 3.2751 3.1197 3.3525 2.9277 3.9496 3.3413 3.408 2.9665 2.9547 3.499 3.3053 3.1876 3.2126 3.0623 3.2242 3.6105 3.5188 3.1348 3.7562 2.9355 3.0951 3.2959 2.6242 3.3473 3.6046 2.9817 2.5806 2.8614 3.3533 3.0895 3.1996 3.1491 3.9475 3.2129 2.8313 3.0287 2.9153 3.23 Diacetyl 3.8325 3.1133 3.3718 3.1095 3.3737 3.5333 3.6298 3.3388 3.3937 3.6979 3.0837 3.2317 4.3326 3.232 2.973 3.1658 3.1127 3.5845 3.2015 3.1868 4.073 3.3279 3.1464 3.2922 3.0857 3.6105 3.4208 3.0882 3.3312 3.261 3.7729 3.4741 3.5446 3.1899 3.0353 3.3856 3.9199 3.7573 3.2684 4.221 3.1442 3.1325 3.2461 3.2882 3.2334 3.2173 3.1935 2.9028 2.995 3.6711 3.4351 3.1309 3.3612 4.2443 3.3373 3.2563 3.3318 3.2653 3.0979 Diaminopimelate 3.7352 4.195 4.2781 4.3198 4.2779 3.9371 4.1468 4.1659 4.1976 3.863 4.0774 4.1692 4.1008 3.9242 4.2254 4.2753 4.2158 4.1742 4.4352 4.1965 4.2548 4.325 5.5264 4.0732 5.7784 3.3861 4.6187 4.9685 3.7963 4.3423 3.8705 3.9264 4.0023 4.104 4.1273 4.241 3.7888 3.8405 4.3581 4.0527 4.5115 4.2207 3.8857 3.8522 5.0877 3.6645 3.769 3.9523 4.3561 4.1113 4.5474 4.2639 3.8151 4.427 4.4502 4.1752 4.4526 4.0568 5.4525 Diethanolamine 2.7737 2.4307 2.5857 2.2423 2.6455 2.8446 3.1261 2.6043 2.3505 3.0095 2.0626 2.1981 3.5665 2.7017 2.2022 2.4475 2.5449 2.8909 2.3208 2.3126 2.4814 2.6876 1.9336 2.4115 2.474 2.1131 2.8658 2.3336 1.8495 2.1302 2.9746 2.3716 2.7269 2.4586 2.6119 2.6646 2.9966 2.752 2.2951 3.5062 2.3549 2.5172 2.0755 2.8725 2.439 2.2587 2.2157 2.0422 2.2501 2.9185 2.7431 3.198 2.1523 3.5403 2.7477 2.2537 2.768 1.9643 2.6104 Dihydrouracil 4.1773 3.294 3.6712 3.1926 3.5003 4.1478 3.5973 3.5492 4.1279 3.8445 3.0732 3.1329 4.1356 3.213 3.038 3.6916 3.1992 4.0414 3.4189 3.2501 3.3978 3.6519 3.2482 3.4724 3.1778 3.6124 3.9197 3.732 3.321 3.2487 3.9024 3.4371 3.6412 3.6773 4.2144 4.2235 4.2573 3.5659 3.2975 4.6308 3.1015 3.5829 3.286 3.4181 3.2778 3.2523 3.4403 3.2519 3.6559 3.4046 3.3657 4.111 3.505 4.664 4.2414 2.9152 2.9348 3.3042 3.7428 Dimethylglycine 3.9444 4.2532 4.2576 4.276 4.2434 4.119 4.4437 4.2651 3.9377 4.4205 4.0777 4.0445 4.5132 4.0706 3.9703 3.9624 4.1356 4.1171 4.1933 3.7679 4.0209 4.2068 3.9615 4.0325 4.2209 3.8975 4.1143 4.3773 4.252 3.9214 4.3967 4.0663 4.0611 4.1283 3.9983 3.9725 4.2785 4.0949 4.1239 4.8601 4.2966 4.0204 3.939 4.2575 4.2458 3.9117 3.889 4.0055 3.8894 4.1848 4.2449 3.9178 3.8285 4.7109 3.6785 3.8747 4.039 3.6744 4.1029 Docosahexaenoate 3.4864 3.9451 2.2183 2.575 2.3772 3.1578 2.5036 3.399 2.3472 2.863 3.345 4.8977 3.3021 2.1093 3.863 2.8317 2.4805 2.9718 3.1781 3.6619 3.0916 3.546 4.6059 3.3287 5.0377 3.3918 4.6556 4.7232 3.0302 2.3302 3.6047 2.635 3.3227 3.6298 2.5074 2.2402 3.9451 3.148 4.0848 2.9256 2.2032 3.5032 4.7121 2.2824 4.0731 2.6433 2.7927 2.9905 4.8736 4.4809 4.2083 2.642 3.1969 4.2339 2.1342 3.9135 4.2993 2.4353 4.6607 Dopamine 3.2893 3.2976 3.3234 3.6364 3.0051 3.1481 3.1405 3.5723 3.4327 3.4604 3.5147 3.7198 3.1392 2.7426 3.9101 4.0682 3.6812 3.2459 3.2808 3.7084 4.2152 3.4883 3.8398 3.666 3.728 3.6303 3.6586 3.731 3.7562 3.8476 2.9076 3.4775 3.9292 4.1742 3.6219 3.5536 3.081 3.643 3.9539 3.4118 3.8935 3.5042 3.814 3.6103 4.1223 3.4239 3.8224 4.1644 4.1237 3.6079 4.2025 3.6356 3.7257 3.6047 3.764 4.0437 3.7655 4.0377 3.5294 Eicosapentaenoate 3.3911 3.0278 1.2949 1.8887 1.4928 2.4866 2.1735 2.4695 1.7284 2.5947 2.4909 3.8359 2.6922 1.6269 2.8113 1.9409 2.0181 2.0504 2.3847 2.7743 2.2265 2.5304 3.7323 2.3283 4.0831 2.8453 3.7136 4.1177 2.7107 1.542 2.6204 1.7935 2.9612 2.9655 1.9128 1.792 2.8565 2.6149 3.4402 2.2798 1.6535 2.7432 4.0452 1.726 3.4845 2.3801 2.3196 2.4916 3.7958 3.5663 3.4124 1.821 2.009 3.2161 1.0085 3.1938 3.8028 1.7506 3.1 Erythrose 4-phosphate 4.8035 3.622 3.4967 3.6975 4.0619 3.9368 3.9567 3.6081 3.8318 4.4545 3.458 3.4468 4.4302 3.7007 3.4313 3.4066 3.4152 3.5588 3.4791 3.5007 3.4902 3.6572 3.0514 3.8329 3.3395 4.6021 3.4291 3.3829 3.54 3.5291 3.918 3.4987 3.6868 3.7373 4.1441 3.8347 3.7665 3.8477 3.594 3.9268 3.5916 4.1439 3.5319 3.6436 3.4553 4.3228 3.7919 3.8226 3.5739 3.4725 3.4437 3.5177 3.8522 3.971 3.9644 3.85 3.7464 4.1188 3.6445 Ethylmalonate 4.339 3.5531 3.7952 3.906 3.5887 3.5245 3.5947 3.7596 3.7965 4.2566 3.6481 3.8777 3.9092 4.0722 3.985 4.0469 3.6218 3.5364 3.72 3.6815 4.226 4.2373 4.2381 3.8501 4.0954 3.9805 4.2181 4.1273 3.5446 3.4496 3.5087 3.6278 3.4482 3.8348 3.164 3.4313 3.7025 3.5613 4.182 3.7248 3.6203 3.662 3.0393 3.3734 3.7774 3.4561 3.6819 3.5888 3.5496 4.0537 3.8658 3.264 3.2633 4.2295 3.1887 3.8034 4.0393 3.3847 4.412 FA (16:0) 3.2149 2.8819 3.0752 2.9473 3.1755 3.4123 3.3871 3.0675 2.2156 2.6272 2.884 3.4697 4.2691 3.054 3.0662 3.0055 2.983 3.4878 3.068 3.196 3.036 3.124 3.2864 3.152 4.1396 2.896 3.7486 4.6126 3.3574 2.8208 3.3223 3.2296 3.3637 3.0703 3.0996 3.151 3.5679 3.3151 3.7194 3.7703 2.7857 3.2754 3.633 3.052 3.6354 2.3335 3.1151 3.0582 3.9817 3.7758 4.0294 2.8726 3.2094 3.8304 3.0208 4.1559 4.2845 2.937 4.1693 FA (18:1) 3.0221 2.9387 2.4336 2.5717 2.6186 4.2031 3.0332 2.6234 2.2475 2.3701 2.6787 4.3355 4.3757 2.4006 2.9796 2.4928 2.3618 3.2252 2.4675 3.0564 2.515 2.9903 3.8736 3.0294 4.7216 3.1284 4.3335 5.2534 3.5517 2.2338 3.2169 2.4988 3.4385 3.5263 2.8072 2.6731 3.4931 3.5343 4.4942 3.3569 2.4326 3.3868 4.5146 2.6309 4.5716 2.6236 2.6209 3.4356 4.6945 4.6487 4.4836 2.6403 3.4459 3.9951 2.7226 4.9152 5.2837 2.4568 4.7642 FAD 5.0312 6.0552 6.2143 6.6697 5.9494 5.0148 6.1568 6.3632 4.1089 4.3908 6.3047 6.1715 4.9403 6.0012 6.3513 6.5393 6.3817 4.9703 6.4603 6.5392 5.6824 5.5941 4.4961 6.3772 4.8297 4.5845 4.8278 4.3695 5.2939 5.5806 4.9974 5.8021 5.0039 5.0898 5.609 5.1864 4.7032 5.0924 4.9815 5.0878 5.3709 4.776 3.71 5.4464 4.9303 4.6555 4.4567 5.1481 4.4193 4.7385 5.2817 5.2648 5.0052 5.1686 5.4391 5.22 4.9376 6.1226 4.993 Ferulate 4.1461 3.3056 3.6096 3.264 3.5399 3.5435 3.4536 3.299 3.2292 3.6676 3.2242 2.9513 4.0106 3.4481 3.0042 3.2045 3.4066 3.6787 3.2691 3.1472 3.4625 3.0713 2.9223 3.3632 2.8472 3.7857 3.0202 2.8397 3.1575 2.9217 3.0081 3.3305 3.1582 3.1211 3.3787 3.3004 3.4159 3.5712 2.9577 3.8716 2.8988 3.1624 2.6364 3.2606 2.7532 3.3327 2.9303 2.9036 2.7057 3.0482 2.875 3.2457 3.0998 3.8867 2.9861 2.8699 2.8837 3.0656 3.0547 Folate 4.1377 3.38 3.1441 3.2924 3.0535 3.1975 3.6369 3.053 3.1849 3.8295 3.0223 2.9119 3.6582 2.9684 3.1162 3.1929 3.257 3.1423 3.0638 3.2068 3.3633 3.4965 3.7113 3.0787 3.11 4.1065 3.6065 3.0334 3.1286 3.3713 3.1334 3.2724 2.9537 2.9053 2.9098 3.117 3.4464 3.1447 3.1972 3.0453 3.1182 3.0701 2.9093 2.9842 3.0687 4.5233 3.2559 2.9695 3.3055 3.2851 3.4292 2.9927 2.8498 3.6349 2.7323 2.8079 3.0136 2.8178 3.1634 Fructose 1,6-bisphophate 5.5916 5.343 5.3504 5.5383 5.4612 5.8652 5.456 5.5896 5.2824 5.2395 5.4589 5.4947 5.5866 5.5234 5.4164 5.7844 5.645 5.4307 5.4317 5.8152 5.5193 5.458 5.1726 5.4123 5.6956 5.4464 5.878 6.0742 6.7924 5.945 6.5151 5.8167 6.7444 6.3062 6.3708 5.9414 6.2925 6.0596 6.5737 5.8338 6.354 6.7222 5.5639 6.1128 6.2376 5.0316 5.5848 6.4911 6.736 6.0676 5.8799 6.0803 6.6387 5.359 6.8281 6.6986 6.5761 6.7777 6.1272 Fructose 6-phosphate 5.0723 4.7466 4.7633 4.8597 4.7404 4.9305 4.9939 4.8373 4.5584 4.44 4.6863 4.6665 5.003 4.8114 4.5603 4.8781 4.7831 4.461 4.7398 4.9774 4.7283 4.8395 5.2884 4.7112 5.0511 4.9272 5.133 4.9448 5.5161 5.6137 5.1103 4.9066 5.1719 5.2654 5.6143 4.669 5.1777 5.1096 5.2124 5.1162 5.184 5.5262 4.9652 4.6879 5.292 4.4193 5.2848 5.3395 5.1914 5.0236 4.8765 5.1395 5.6597 4.6986 5.6686 5.2011 5.0868 5.739 5.2836 Fumarate 4.6475 5.0761 4.9297 4.7759 4.9297 4.6049 5.0402 5.0607 4.3555 4.5742 4.9382 5.328 4.9979 5.1011 5.3189 4.7656 5.2627 4.5987 5.0738 5.3895 5.2413 5.1168 4.906 5.3693 5.05 4.4119 4.7471 4.9082 4.3095 3.8898 5.1774 4.946 4.4354 4.9183 4.2048 4.7149 4.6214 4.91 5.135 5.0526 4.2801 4.6902 4.9748 4.7175 4.6482 4.7055 4.2357 4.2137 4.5406 4.5231 5.4042 3.9847 4.7265 4.7652 3.8351 5.0413 5.2053 3.8968 4.6235 Gamma-linoleonate 2.6244 2.0348 1.689 1.4776 1.3854 2.4805 1.6478 1.7769 2.0004 2.0103 1.41 3.121 2.7558 1.5642 2.1673 1.4951 1.5594 1.7721 1.3245 1.8806 1.6497 1.8878 2.8879 1.3647 3.1311 2.7632 3.3416 4.0318 2.0216 1.2622 2.4678 1.5793 2.3829 2.001 1.4056 1.6131 2.2646 2.3238 3.0791 2.0272 1.7935 2.1617 3.3557 1.4791 3.094 2.1477 2.0725 2.1883 3.2793 3.468 3.156 1.4019 2.3076 2.9349 1.6812 3.2589 3.8501 0.6789 3.228 Gluconate 7.316 7.3115 7.3811 7.2636 7.5527 7.1763 7.0191 7.4344 7.8031 7.8825 7.5308 7.2412 7.4011 7.63 7.3275 7.7593 7.5414 7.5369 7.4286 7.5725 7.4952 7.7963 7.4428 7.7581 7.515 7.5491 7.1982 7.0597 6.9677 6.6553 6.8845 7.3156 7.1321 7.2712 7.3549 6.1216 7.3932 6.8692 6.9005 7.4252 6.8972 7.0173 7.2686 6.9373 7.006 7.3986 7.4601 7.0865 6.5203 7.3186 6.9438 7.358 7.1023 7.5505 7.0088 7.4505 6.9967 7.2869 7.2747 Gluconolactone 3.8105 3.7449 3.9896 3.5051 3.9697 3.8265 3.8209 3.9957 3.7747 4.6913 3.9485 3.5877 4.4146 3.9975 3.7177 4.1961 4.0205 4.0373 3.8502 4.0191 4.3542 4.1555 3.6747 4.153 3.7776 3.6197 3.8151 3.5385 3.358 3.5005 3.7058 3.9841 3.8329 3.5967 3.7751 3.4685 4.1387 3.4813 3.6338 4.2541 3.5046 3.3002 3.6887 3.4218 3.4414 3.095 3.4539 3.3829 3.3055 4.0014 3.4208 3.642 3.6862 4.3721 3.6106 3.7331 3.6685 3.6021 3.8678 Glucosamine 6-phosphate 5.5947 4.3921 4.2876 4.1829 4.1643 4.3024 3.9781 4.3488 5.0473 5.0266 4.059 4.1128 4.0547 4.0998 4.1631 4.0832 3.9353 4.2934 4.3768 4.1536 4.291 4.018 4.081 3.9043 4.1408 5.4897 4.1719 4.0887 4.4013 4.0688 4.2985 4.2573 4.4421 4.0966 4.1206 4.9126 4.5116 4.7348 4.1456 4.637 4.4964 4.5132 3.7678 3.6542 4.0945 5.8346 4.6283 3.7317 4.0765 4.3748 4.3343 3.9245 4.3361 4.6085 4.6198 4.2848 4.2629 4.2816 4.6183 Glucosamine 6-sulfate 6.0398 3.8471 3.847 3.4876 3.5187 3.9688 3.2921 3.7562 4.2519 4.8544 3.4332 3.6432 3.4911 3.5298 3.7928 3.5098 3.4708 3.7545 4.0099 3.5892 3.6362 3.5827 3.6183 3.5365 3.7816 5.8301 3.7815 3.6794 3.8795 3.9406 3.9447 3.5777 3.9873 3.6332 3.4031 4.142 4.2615 4.1724 3.54 4.2979 3.6371 4.046 3.3304 3.0904 3.4944 5.8321 3.9732 3.327 3.5989 4.2298 3.6553 3.247 3.813 4.4417 4.2593 3.8857 3.6223 3.7069 3.7327 Glucuronate 4.294 5.064 4.7439 4.9044 4.9883 4.7802 4.4048 4.9109 4.4141 4.1464 4.9525 4.7371 5.0885 5.0402 4.7675 5.2429 5.3221 5.0334 4.9456 5.311 5.8255 5.5939 5.6203 5.2263 5.2268 3.9219 4.5684 4.2264 4.2186 4.1371 4.4164 5.3514 4.4076 4.3561 4.8128 4.1467 4.2739 3.9854 4.1031 4.731 4.7065 4.2876 3.9441 4.1357 4.0136 3.7593 4.0127 4.2747 4.0191 4.3346 4.3385 4.6137 4.0004 4.7179 4.3896 5.0275 4.5036 4.7454 4.3797 Glucuronolactone 2.6166 2.5401 3.1619 2.5338 2.8296 3.196 3.0059 2.9118 2.8605 2.9643 2.5912 2.5229 3.1172 3.1816 2.6531 3.1914 2.7469 3.318 2.4184 2.5553 3.0171 2.6106 2.5107 2.5634 2.4172 3.0125 3.1565 2.7483 3.4893 4.1228 3.4948 3.4311 3.2258 2.9281 3.1372 3.2198 3.1117 3.504 3.3031 3.5719 4.1789 3.2957 3.5513 3.4158 2.7908 2.9421 3.1986 3.3401 3.3005 3.5118 2.6376 3.1578 2.9365 2.5481 3.2503 3.4177 3.0447 3.51 3.4118 Glutamate 7.3009 6.8525 6.6221 6.8899 6.856 6.7867 6.7927 6.8148 6.5644 6.9073 6.7297 6.8658 6.436 6.7904 6.8437 6.4958 6.6662 6.5161 6.8487 6.7938 6.7122 6.7178 6.9044 6.6163 6.7954 6.8871 6.7975 6.8308 6.9975 6.893 7.1084 6.7144 7.1394 6.8789 6.7898 6.8958 7.0213 6.8885 6.9501 6.7542 6.8764 7.0218 7.0556 6.9806 6.849 7.0564 6.8684 6.9588 6.9529 6.7766 6.8759 6.7823 7.0359 7.1152 7.011 6.9369 7.0292 6.8271 6.7674 Glutamine 5.9922 5.0421 5.1392 4.9204 5.0275 5.794 5.4412 4.9645 5.9199 6.2705 4.8113 5.1153 6.3263 4.8631 5.1209 5.1459 4.9294 5.8499 5.1263 5.0683 4.9117 5.2415 6.0901 5.1709 5.9451 6.0658 6.3079 5.9312 5.9187 5.1361 6.0919 5.3335 5.9415 5.531 5.146 5.5411 6.2314 6.0026 5.8888 6.0841 5.359 5.5589 6.2006 5.8254 6.0784 5.5624 5.6142 5.9166 5.8965 5.916 5.7747 5.8328 5.5903 6.11 5.3569 6.3855 5.7378 4.9935 5.8888 Glutarate 4.4125 4.3523 4.4256 4.7593 4.483 4.6751 4.5071 4.5606 4.7237 4.3058 4.6233 4.6011 5.1879 4.3281 4.6185 4.5238 4.4666 4.3847 4.4002 4.5575 4.3229 4.4711 4.2438 4.5851 4.1305 4.6382 4.7767 4.7298 4.6839 4.8085 4.6455 4.3876 5.0084 4.3659 4.6519 4.6956 4.5338 4.9263 4.8479 4.7121 4.9391 4.9353 4.4694 4.572 5.1183 4.0128 4.6417 4.5396 4.6248 5.0188 4.5884 4.3034 5.144 5.0436 5.0499 4.7869 4.7677 4.8578 4.5188 Glutathione 3.7999 3.2028 3.621 3.5382 4.3417 6.1487 3.7455 3.4352 6.4348 3.5978 3.2569 2.9324 4.3437 4.776 3.0127 4.4203 3.388 3.7994 3.2566 3.6283 3.7814 3.4455 3.3463 3.5499 3.1311 4.0192 4.3445 3.3336 5.9389 5.1376 3.9492 5.1826 6.2639 5.1522 7.1002 5.2144 4.5083 4.4725 5.1043 4.2834 5.5795 6.3988 5.5158 5.1362 5.1545 6.3555 6.0877 6.1493 5.6098 4.7236 3.3031 6.6252 3.9082 3.9739 7.0041 4.9348 4.7066 4.793 4.6806 Glutathione disulfide 7.2293 4.0826 4.3058 4.8398 6.5178 7.3025 5.5319 3.8874 7.3331 7.1202 3.6684 3.4779 6.3718 6.2449 3.5865 7.4666 4.0895 7.3043 3.495 4.0212 3.7916 4.0916 3.827 4.0891 3.7952 7.4469 7.7878 3.9725 7.7397 7.6992 7.3022 6.3067 8.1144 7.6284 7.9166 7.3465 7.8672 7.6791 7.5444 7.2484 7.5313 7.4695 7.6236 7.5917 7.9972 7.2975 7.5526 7.8602 7.6404 7.527 4.8153 7.7533 7.6583 4.6576 7.5853 7.6862 6.9043 7.7608 6.8933 Glyceraldehyde 3-phosphate 5.5363 4.308 4.3947 4.2799 4.2333 4.3881 3.9996 4.3821 4.4987 5.0633 4.2536 4.6423 4.3971 4.3051 4.4634 4.4942 4.357 4.5999 4.6796 4.5751 4.9056 4.5542 4.4013 4.3537 4.2504 5.5141 4.5632 4.7756 4.9069 4.5091 4.7865 4.5835 4.8895 4.4834 4.9994 4.8314 4.8556 4.5694 4.7617 5.2785 4.798 4.769 4.4309 5.0068 5.3336 4.9886 5.0058 5.1158 4.8049 4.3521 4.7047 4.5271 5.1793 4.9377 5.06 4.7607 4.7004 5.0606 5.0282 Glycerate 4.5097 4.3841 4.3437 4.4361 4.1717 4.4441 4.4584 4.5088 4.6001 4.6542 4.3531 4.4074 5.2308 4.1809 4.6368 4.3062 4.4647 4.6533 4.6578 4.5067 4.5032 4.3375 4.4623 4.6203 4.9683 4.5388 4.9744 4.9666 4.4468 4.7414 4.9811 4.2435 4.6001 4.529 4.6826 4.7143 4.6521 4.7308 4.6893 4.8082 5.1606 4.8484 4.659 4.1704 4.8343 4.2503 4.6107 4.8293 4.7114 5.0466 4.801 4.6086 4.7388 5.0539 4.6915 5.1643 5.0889 4.7393 5.1693 Glycerol 3-phosphate 4.6219 5.7378 5.5719 5.8102 5.7786 5.209 5.5226 5.7575 4.991 4.599 5.802 5.8458 4.8634 5.6534 5.7123 5.802 5.8825 4.5518 5.6728 5.9551 5.6715 5.9504 5.8666 5.7404 5.7156 4.4857 5.0737 5.4392 5.3809 5.7715 4.8786 5.4544 5.3748 5.4161 4.6606 4.7577 4.7422 5.1544 5.5466 5.0102 4.845 5.4438 5.0247 5.4195 4.8597 4.9319 5.5415 5.2121 5.5072 4.9939 4.9369 4.9458 5.1972 4.9724 5.2496 5.4393 5.3406 5.6979 5.2608 Glycerophosphocholine 6.1245 6.4384 6.4397 6.4351 6.5428 6.5146 6.2481 6.4051 7.0921 7.0669 6.5123 6.3336 6.2063 6.7804 6.1377 6.338 6.4556 5.7142 6.5186 6.3306 6.7595 6.0737 6.5029 6.4596 6.2216 6.1396 5.5928 6.4402 7.096 7.2114 7.078 6.5065 6.6201 6.3687 6.3313 6.5274 6.4408 6.4157 6.5153 5.7546 6.998 6.8949 6.4844 6.7549 6.2131 6.093 6.7734 7.0689 6.6573 6.4667 6.0302 6.1623 7.0134 5.737 7.0852 6.4151 6.579 6.6751 6.3383 Glycine 3.7998 3.174 3.0674 3.1581 3.3718 3.3751 3.1942 3.1331 3.477 3.3799 2.8974 3.0557 3.742 3.0135 3.0024 2.8928 3.1271 3.6031 3.0848 3.1576 3.213 3.0235 3.4127 2.9451 3.0669 3.4148 3.5157 3.4068 2.9582 3.1331 3.4491 3.1946 3.4335 3.2202 3.2453 3.4696 3.6632 3.5804 3.155 3.6493 2.8558 2.9622 3.0663 2.9553 3.2585 3.2026 3.0916 2.9237 3.1586 3.397 3.1311 3.1166 3.1788 3.9496 3.1938 3.1939 3.2268 2.9652 3.4042 Glycochenodeoxycholate 3.4569 3.8529 3.9849 3.212 3.0806 4.1888 4.1061 4.036 4.6561 3.2844 3.6507 4.0078 6.3459 2.7481 4.1858 4.06 4.2557 5.4618 3.8779 4.1388 4.0355 3.202 4.7135 4.3321 4.1169 4.5895 5.4226 5.1593 3.6503 3.0232 3.6315 3.545 4.0182 3.9313 3.9001 4.8069 5.0902 5.4282 4.7705 5.8266 5.43 3.9038 3.93 4.0855 6.3773 2.6713 3.1778 3.7345 4.655 5.5696 4.9481 3.9955 4.3261 6.6206 2.9571 3.7147 5.0662 3.5913 4.7743 Glycocholate 3.9592 3.8979 5.1569 4.1786 3.9237 4.3706 4.7527 4.7325 4.4971 3.3937 4.705 4.3374 5.964 3.4258 4.5533 4.8196 5.5272 5.8049 4.1867 4.4491 4.5418 3.8619 4.8632 4.3767 4.388 3.8785 4.6393 5.3942 3.495 3.4445 3.509 4.1135 3.4926 3.5995 3.9111 4.7221 5.131 5.08 4.6204 5.2604 5.9329 3.2688 3.9101 4.2366 5.9164 3.3258 2.8022 3.8822 4.0796 4.9147 5.1994 4.8847 4.2021 6.6208 3.2906 3.4585 4.6976 3.4425 4.8962 Glycodeoxycholate 3.514 3.756 3.9544 3.158 3.165 3.2403 3.8547 4.2709 3.9715 3.0499 4.4454 3.8593 3.9564 2.9532 4.0618 4.3718 3.9657 5.3857 3.7468 3.9817 4.4907 3.3101 4.6866 2.6639 4.0957 4.349 5.0021 5.0089 3.1537 2.6941 2.7181 3.0549 3.7744 3.3718 2.9571 4.7542 4.6978 4.8334 4.7922 5.2995 4.9607 4.1049 4.5689 3.7337 3.2556 2.7183 2.9233 3.4581 5.3551 4.8894 4.3908 3.8039 3.9841 6.2667 3.1579 3.7501 4.7222 2.2051 4.6006 Glycolate 4.3507 3.855 3.9073 3.8274 3.7938 3.93 3.9123 4.0045 3.9925 4.381 3.8309 3.9197 4.0801 3.8245 3.9322 4.1822 3.8573 3.9586 3.9075 3.9566 4.2781 4.0893 3.965 4.0157 3.815 4.2799 4.066 3.7714 3.8062 3.8265 4.1293 3.8818 4.4094 3.7946 4.0533 4.0905 4.1446 4.097 3.9903 4.0562 3.9658 3.7887 4.1583 3.6309 3.7739 4.0307 4.3926 4.0038 4.0681 4.1632 3.7659 3.7027 4.1347 4.224 4.094 4.3044 4.0555 4.0064 4.0406 Glycolithocholate 3.3541 2.1706 2.1274 2.001 2.0172 2.7159 2.2204 2.6535 3.1162 3.1042 1.925 2.8127 3.4277 2.1511 2.4368 2.2959 2.2737 3.1934 1.8419 2.5158 2.5372 2.3669 3.1352 1.9259 3.0456 2.7702 3.9356 3.8933 1.8692 1.7982 2.6967 1.7485 3.0845 2.543 2.2918 2.3297 3.1715 3.0868 3.6773 2.9369 2.0785 2.5045 3.2463 2.2164 3.3878 2.5643 2.9979 2.0644 3.5459 3.5253 3.5246 2.3001 2.4482 4.777 1.7125 3.07 3.4616 1.7449 4.0069 Glycoursodeoxycholate 3.3182 3.0401 3.6462 2.9773 3.3084 3.5768 3.3472 3.1352 3.0437 3.1137 3.8354 3.2196 5.6805 2.7048 3.1017 3.5544 3.5367 3.3901 3.2538 2.8687 3.5267 2.8178 3.5295 4.1398 3.125 3.2329 4.0167 4.3449 3.242 2.5503 3.6825 2.9108 3.6391 3.6333 3.3201 3.5664 4.7879 4.3654 3.5959 4.611 3.8693 3.2857 3.461 3.3494 5.499 2.879 2.834 2.6772 4.1884 3.8547 3.8745 2.4181 3.4471 4.4347 2.6557 2.6984 3.7196 3.3067 3.3932 Glyoxylate 3.9271 3.1845 3.0556 3.0387 3.1933 3.2126 3.1267 3.1356 3.0622 3.4145 3.0244 2.8699 3.612 3.141 2.8904 3.3059 3.2887 3.3221 2.966 3.3545 3.7113 3.5018 3.3971 3.2734 3.1864 3.6367 2.9256 2.7365 2.8341 2.7063 3.129 3.3132 2.9367 2.8167 3.2055 2.9626 3.0267 2.8048 2.7527 3.4882 2.8895 3.0354 2.6202 2.9002 2.8876 3.4792 3.0425 2.8801 2.7566 3.1384 2.8323 2.8283 2.7558 3.5421 2.9364 3.0684 2.8769 2.981 2.9706 Guanidinoacetate 4.3727 5.706 5.5614 5.4482 5.4894 4.4088 5.2992 5.5328 5.4722 6.2762 5.5618 5.2376 4.8818 5.2675 5.3978 5.0615 5.2143 4.069 5.4089 5.2788 4.92 5.0646 5.3272 5.4264 4.8854 4.3497 4.6791 5.0491 5.3249 4.8831 5.0383 4.9459 4.4668 4.2403 4.5128 4.4932 4.7348 4.8238 4.7837 4.7704 4.8534 5.0251 4.6546 4.6162 4.5995 4.7315 5.1451 4.614 4.4912 4.7895 4.7821 3.9691 5.0076 4.8901 3.9784 4.9519 4.7659 4.5447 4.3078 Guanidinosuccinate 3.9134 3.7029 4.1461 3.8159 3.7205 3.7127 3.7646 4.1709 3.5281 3.8363 3.8504 3.6588 3.7138 4.0016 3.8118 4.0027 3.8551 3.6795 3.5391 4.0228 5.353 4.0817 3.9383 4.4109 3.6968 3.7309 3.126 3.403 2.9789 3.3828 3.4862 4.3411 3.0102 3.0673 3.0862 3.2882 3.3932 3.1633 3.2962 3.5131 3.2298 3.3126 3.0173 3.1596 3.0634 3.2502 3.2237 2.9904 2.7999 3.3206 2.9982 3.342 2.9948 3.796 3.6371 3.2895 3.2063 2.8134 3.1126 Guanine 5.5379 5.5757 5.6832 5.3776 5.5473 5.5262 5.6081 5.6776 5.0878 5.2696 5.653 5.4838 5.415 5.7131 5.4302 5.696 5.7879 5.5038 5.3935 5.6432 5.5738 5.3073 4.8297 5.5987 4.7401 5.2511 5.009 5.3547 5.7894 5.5249 5.5392 5.6539 5.6019 5.4467 5.3959 5.6342 5.2137 5.5091 5.3806 5.6078 5.668 5.4895 5.7055 5.8126 5.5599 5.2591 5.3631 5.1613 5.4591 5.935 5.5195 5.4169 5.3513 5.3705 5.33 5.5445 5.7337 5.205 5.5864 Guanosine 5.0216 5.4278 5.2867 5.4619 5.3381 6.4507 5.2166 5.2831 5.5808 4.7749 5.4827 5.5421 6.3593 5.1694 5.5085 5.447 5.5852 5.8209 5.4251 5.4886 5.0181 6.3716 6.5028 5.3679 6.1411 4.3321 6.562 6.3087 5.7625 5.2892 5.163 5.5268 5.2351 6.1686 5.6489 6.4278 5.4664 5.6163 5.3906 5.5968 5.7237 5.3944 5.3762 5.2346 6.3598 4.2064 5.6228 5.2313 5.2852 6.3176 6.6162 5.3921 5.8512 5.935 5.3645 5.4071 5.6964 5.3129 6.2581 Guanosine monophosphate 6.9284 6.4469 6.6203 6.3482 6.4448 6.6132 6.6814 6.7093 6.864 7.0234 6.8639 6.3477 5.756 6.7487 6.3124 6.857 6.7881 6.7303 6.3754 6.9997 6.6228 6.3117 5.6773 6.4812 5.7923 6.3781 6.3406 6.2162 6.7426 6.2781 6.6356 6.6583 6.5162 6.4837 6.4017 6.9729 6.247 6.4427 6.3497 6.5592 6.5623 6.5531 6.6795 6.7354 6.5396 6.5012 7.2107 6.0917 6.4487 7.0137 6.3898 6.2576 5.9203 6.4482 6.4033 6.5862 6.7216 6.2806 6.7189 Gulonolactone 4.4061 4.4051 4.4903 4.3002 4.6683 4.2521 4.229 4.4661 4.4021 4.2452 4.5816 4.3554 4.8027 4.6999 4.4093 4.9331 4.5925 4.6714 4.5152 4.6943 4.644 4.7928 4.5059 4.8429 4.5201 4.072 4.3479 4.1596 4.1327 4.2316 4.2889 4.5258 4.3885 4.266 4.5159 3.6885 4.5416 4.0569 4.1141 4.6122 4.2514 4.1464 4.4146 4.1615 4.1177 3.7659 4.3 4.28 3.9737 4.5315 4.0343 4.3836 4.2243 4.7414 4.1018 4.4127 4.2097 4.455 4.3148 Heptadecanoate 2.9833 2.1198 2.0599 2.2529 2.0959 2.5494 2.4502 2.1458 2.2665 2.592 1.8766 2.1358 3.3229 2.3257 1.8381 2.0066 2.0226 2.5869 2.0974 2.4266 1.9178 2.1112 1.9316 2.2618 2.4905 2.5296 2.727 2.9037 2.4211 1.9212 2.6508 1.9806 2.4753 2.193 2.022 2.1266 2.7741 2.2105 2.4606 3.0274 2.1663 2.2722 2.4619 2.1354 2.6455 2.5437 2.4178 2.079 2.5903 2.6369 2.2068 2.0656 2.2362 3.0649 2.0745 2.564 2.9575 1.9861 2.7524 Hexosamines 2.6027 2.7829 2.7476 2.4265 2.7547 3.0908 3.1877 2.7541 2.3742 2.849 2.2567 2.5324 3.9398 2.9966 2.2711 2.357 2.4769 2.8805 2.5901 2.6797 2.512 2.9677 2.7122 2.8018 2.4694 2.6367 3.1781 2.9529 2.8209 2.9393 3.2108 2.7585 2.8173 2.9784 2.7543 2.3598 3.1934 2.7929 2.9466 3.2581 2.7865 2.639 2.7276 2.8603 2.4863 2.7782 2.5918 2.4428 2.5075 2.9733 2.9524 4.0611 2.7595 3.1864 2.4684 2.7465 2.7506 2.5445 2.4441 Hexose 3.9878 4.6352 4.7528 4.6127 4.9489 5.2008 5.2046 4.7834 5.1095 4.9225 4.5485 4.5824 5.9695 5.0852 4.6141 4.715 4.5063 4.4804 4.7785 4.6309 4.8438 4.9592 4.4395 4.4235 4.727 3.7396 4.617 4.1248 3.8026 3.8291 4.8923 5.2111 5.0453 4.403 4.935 4.5878 5.1399 4.5995 3.9517 5.4285 4.2614 4.3102 3.7087 4.0676 4.3006 3.3461 3.9645 4.1428 4.071 4.8511 4.5551 4.4839 4.0209 4.3932 4.9941 3.9219 4.6 4.7432 4.5427 Hippurate 6.2111 6.2834 6.8684 6.4325 6.4219 5.5039 6.3568 6.8914 7.099 7.3216 6.9983 7.2397 5.7443 7.091 5.5862 7.4104 7.1869 5.7956 7.1659 7.1202 7.467 6.4791 6.8926 7.2289 7.0191 5.8977 5.1151 5.4817 4.3795 5.969 4.6414 7.4281 4.8967 5.1723 5.0874 5.6394 5.4124 6.0046 5.0209 6.1646 5.1294 5.6986 5.0968 5.8653 4.6053 5.382 5.6565 3.8894 4.2264 5.0286 6.0091 5.8065 5.6663 7.0047 5.0498 4.591 4.6586 5.5149 5.6783 Histamine 6.3412 4.5192 5.2186 5.2859 5.6866 6.2091 5.0712 4.6461 4.7431 5.2497 4.6224 4.6239 5.685 4.771 5.346 4.6918 4.8111 4.7326 3.7119 5.0851 4.163 5.8304 4.2554 4.9565 4.7669 5.1311 5.4077 5.5689 5.9376 5.0672 5.727 5.4365 5.9016 5.982 4.7378 5.5536 5.437 5.8601 5.8125 5.2615 4.4534 5.4635 5.1942 5.4879 5.9207 5.0801 5.7668 4.9821 4.8304 6.0582 5.7474 5.8457 5.514 4.2202 4.3008 5.1531 5.4423 4.8602 5.1008 Histidine 4.5958 4.6042 4.6937 4.5809 4.7335 4.6109 4.7371 4.6555 4.3332 4.3795 4.5918 4.5867 4.7362 4.7692 4.5151 4.4147 4.522 4.5297 4.6608 4.5726 4.6715 4.5877 5.375 4.7322 5.1077 4.4669 4.3503 4.5485 4.4928 4.5096 4.8044 4.5989 4.4771 4.6095 4.3249 4.5876 4.7196 4.4271 4.6394 4.7859 4.445 4.6448 4.4912 4.5722 4.3655 4.6742 4.3565 4.4048 4.6681 4.4829 4.1448 4.4838 4.48 4.9556 4.4519 4.7405 4.5145 4.4367 4.4416 Homocysteine 2.9014 2.8006 3.0181 2.9 2.8157 2.8883 2.9431 2.8836 3.0206 3.4001 2.8245 2.9084 3.4432 2.7733 2.9486 3.026 2.965 3.0986 2.8273 2.7148 2.9911 3.2843 2.8423 2.757 3.1834 2.8688 3.3624 3.1389 3.2502 2.8782 2.842 2.9113 2.9544 2.9062 3.0224 3.3145 3.075 2.9884 2.9063 3.2808 2.9385 2.8898 2.7608 3.1904 2.7566 2.9388 2.8187 2.6691 2.9837 3.6366 3.3807 2.9445 2.8097 3.3643 3.1025 2.7933 2.6618 2.7418 3.4371 Homogentisate 4.599 3.696 3.9513 4.1 4.0182 3.9165 3.9667 4.0118 4.0626 4.4703 4.1365 3.7742 4.6439 4.2995 3.8216 4.0603 3.9087 4.0774 3.7209 4.0153 5.5604 3.9109 3.7247 4.0809 2.8179 4.5632 3.2239 2.9729 3.357 3.5412 4.0826 3.7267 3.5129 3.4955 3.6336 3.7747 3.9476 3.9981 3.1946 4.4208 4.1143 3.0841 3.2834 3.6531 3.2139 3.4026 3.3695 3.0038 2.6802 3.2687 3.0656 3.5537 3.073 4.6479 4.6713 2.9651 2.9476 3.3754 2.8802 Homoserine 4.383 4.4375 4.415 4.23 4.3048 4.4692 4.6544 4.4271 4.1401 4.399 4.1594 4.3151 5.2765 4.3329 4.5211 4.0682 4.2139 4.7938 4.3827 4.2856 4.4705 4.2684 5.0417 4.4504 4.7816 4.3284 4.7641 4.4806 4.1464 4.0811 4.5875 4.425 4.4558 4.2038 4.1608 4.5014 4.7266 4.6488 4.2175 5.1139 4.0617 3.9436 4.3216 4.3715 4.5056 4.2447 4.0779 4.1464 4.5781 4.5683 4.2589 4.3677 4.4144 5.2843 4.0963 4.4569 4.2528 4.0436 4.5248 Hydroquinone 4.2057 3.9587 3.1637 3.0554 3.3737 3.3929 3.2862 2.9551 3.4769 3.8619 3.1645 2.9227 3.7856 3.4155 3.1366 3.1826 4.9309 3.4583 3.2652 3.1454 3.6386 3.1236 3.0585 3.245 2.7118 3.8034 3.6349 2.8518 3.1929 2.8287 3.1253 3.1552 2.8642 2.9027 3.3008 3.3831 3.1795 3.2911 2.8224 3.6482 2.9622 3.048 2.9898 3.038 2.7475 3.5569 2.97 2.8707 2.7929 2.9699 4.3907 2.9721 2.9533 3.8508 3.1713 3.0522 2.7322 3.2755 2.8407 Hydroxy-FA (12:0) 3.2942 3.4802 3.3598 3.3598 3.5081 3.4874 3.6053 3.4267 3.7835 3.0082 3.2931 3.4516 4.4275 3.3564 3.3689 3.383 3.5425 3.7084 3.376 3.5395 3.5374 3.4668 3.6088 3.5729 3.4928 3.1485 4.1119 3.7122 3.378 3.1304 3.7122 3.4803 3.7098 3.5152 3.4562 3.4497 3.7902 3.6146 3.4337 4.0871 3.26 3.3899 3.0723 3.5868 3.6424 2.7752 2.9908 3.4086 3.48 3.9703 3.6073 3.4494 3.3296 4.438 3.4704 3.422 3.8134 3.5108 3.6516 Hydroxy-isocaproate 4.3091 4.3448 4.56 4.6284 4.7083 4.7537 4.74 4.548 5.1825 4.0571 4.3816 4.6632 5.4234 4.4823 4.646 4.4004 4.5677 5.3436 4.5181 4.696 4.6067 4.3837 4.3459 4.5512 4.3572 4.1465 4.3988 4.3894 4.8295 5.1309 4.1742 4.7282 4.2677 4.7882 4.758 4.8685 4.5173 5.1572 4.1552 5.7812 5.0991 4.3823 3.944 5.1301 4.211 4.3587 3.9054 4.6782 3.959 4.3099 4.5478 4.7832 4.3859 5.8608 4.6455 3.7202 3.5933 5.0454 4.2054 Hydroxykynurenine 2.9149 3.3866 3.4133 3.5058 3.4616 2.9231 3.1992 3.3962 3.8375 3.2398 3.6201 3.3052 3.3287 3.4444 3.3108 4.801 3.0224 2.9956 3.5074 3.3481 3.2735 3.0669 3.2551 3.5964 3.0944 2.783 2.9733 2.7965 2.6615 2.6196 3.0552 3.1321 2.5317 2.985 3.3462 3.1599 3.1206 3.2014 2.8444 3.1516 2.7233 3.0072 2.7962 2.922 2.5493 2.1875 2.7615 2.2943 2.5517 2.817 3.0729 3.9614 2.8061 3.266 3.7301 2.777 2.71 3.4479 3.3606 Hydroxyphenyllactate 4.6082 5.0229 5.1632 4.8198 5.1906 4.9341 4.7783 4.7673 5.5199 4.5493 4.9221 4.5715 5.385 5.9811 5.4439 5.551 5.1205 5.8259 4.8865 5.9549 5.1971 4.5384 4.5756 5.4426 4.7757 4.6088 4.7961 4.7975 4.8073 4.6681 4.8409 4.8724 4.8883 4.9139 5.2369 5.6649 4.9528 5.2082 4.408 5.8478 4.8234 4.346 4.0241 4.8935 4.6742 3.8374 4.5221 4.6956 4.3277 4.4159 4.7121 5.3064 4.645 6.8291 5.0981 4.0695 4.0496 5.0827 5.0712 Hyocholate 3.3583 2.2183 2.388 1.6126 2.12 2.2727 2.3663 2.3234 2.8334 2.6525 2.4696 2.6634 3.4171 1.9637 2.5658 2.4431 1.9505 3.2535 2.1561 2.1509 2.1616 1.7923 2.1036 1.8764 2.4189 2.9726 2.7583 2.9686 2.0876 1.4163 2.1185 1.8184 2.092 2.3328 2.0856 2.6556 2.7233 2.8331 2.482 3.4229 1.6668 2.1124 2.333 2.6016 3.3853 2.7142 1.8971 2.024 2.7924 2.6693 2.7061 1.7191 2.3259 3.597 1.964 2.1535 2.3719 2.003 2.6783 Hypotaurine 3.6488 3.1971 3.1146 3.236 3.4913 3.6621 2.9724 3.1165 3.5279 3.8395 2.9552 3.238 3.2692 3.3205 3.2826 3.3658 3.1657 3.0687 3.3492 3.0566 3.2733 3.5951 3.4337 3.1633 3.6775 3.0708 3.4452 3.8976 4.1574 3.484 4.2198 3.2621 4.0008 3.6394 3.8678 3.4713 3.3657 3.2406 3.6554 3.7558 3.8054 4.0464 3.0991 4.3524 3.9601 3.619 4.3438 3.3223 3.6851 3.5572 3.9846 3.6801 4.0073 2.8155 3.7106 3.7174 4.0961 3.3671 3.6746 Hypoxanthine 6.8268 7.3133 7.2935 7.3403 7.3744 6.7685 7.3322 7.3651 7.255 7.1998 7.2105 7.2066 7.3114 7.0927 7.1558 7.0964 7.0651 6.4887 7.2188 7.2484 7.0078 7.0762 6.715 7.2643 6.9264 6.5955 7.0105 6.9123 6.85 7.0997 7.0602 7.1072 6.6441 7.0529 6.5825 6.8307 6.5451 6.6172 6.6759 6.6968 6.9477 6.829 6.7079 6.8548 6.4882 6.842 6.7167 7.0147 6.8571 6.9188 6.7997 7.0072 6.851 6.7216 6.9666 6.1856 6.4366 6.8114 6.7198 Indole-3-acetate 3.6979 2.7767 3.1899 3.1179 2.8094 2.9474 2.9957 3.1879 2.875 3.4098 2.8776 2.9231 3.1611 2.7256 3.1507 3.0709 2.6793 2.9447 2.8267 2.8402 3.2308 2.8044 3.1277 3.0994 2.7258 3.7782 3.012 2.5906 2.6273 2.3121 2.6345 3.1015 2.6256 2.6255 2.8025 2.8806 2.6357 3.0542 2.6114 3.1966 2.6193 2.4372 2.7945 2.8792 3.2763 2.9939 2.6831 2.5287 2.5616 2.5046 2.542 2.2834 2.795 3.0672 2.4125 2.6495 2.6081 2.2776 2.6368 Indole-3-carboxylate 3.9395 3.2759 3.2345 2.972 2.9639 3.2983 3.0885 3.2822 3.7276 3.7044 2.7807 3.0269 3.8436 2.8926 3.2006 3.8097 3.1561 3.5641 3.1246 3.3123 3.8639 3.6343 3.649 3.1305 3.792 3.872 2.9986 2.8525 2.6569 2.6644 2.9715 3.8083 2.6057 2.8075 2.8869 3.0047 3.1746 3.0365 2.5577 3.5287 2.7467 2.6692 2.6313 2.7179 2.6604 3.1825 2.6397 2.4808 2.4936 2.6336 2.5398 2.7081 2.7567 3.8963 2.4676 2.8073 2.5785 2.4938 3.3711 Indole-3-ethanol 3.8376 2.5161 2.5681 2.1876 2.2328 2.6691 2.5064 2.2392 2.6833 3.0778 2.518 2.447 3.2998 2.5339 2.3947 2.7184 2.8643 2.8626 2.3565 2.5334 2.7588 2.7437 2.3619 2.3753 2.4554 3.3561 2.7529 2.7375 2.4587 2.308 3.2041 2.6173 2.882 2.3177 2.2043 2.7187 2.8208 2.9922 2.385 3.0345 3.7064 2.5208 2.9454 2.2131 2.5632 2.9421 2.5421 2.3941 2.4343 2.9264 2.4526 2.1765 2.7505 3.4823 2.5734 2.7847 2.6045 2.3908 2.5802 Indoleacetaldehyde 3.7438 2.4979 2.382 2.3639 2.4996 2.6207 2.2999 2.4802 2.937 3.2833 2.4101 2.2958 3.4612 2.6787 2.7394 2.9413 2.7606 2.6065 2.7832 2.307 2.7224 2.401 2.6128 2.3952 2.3944 3.4164 2.196 2.4535 2.0124 2.0393 2.22 2.2994 2.1558 2.1769 2.4289 2.1015 2.2781 2.6143 2.3671 2.8871 3.1889 2.2048 2.5439 2.3357 2.1977 3.1418 2.2779 2.1416 2.3582 2.4897 2.2023 2.621 2.1142 3.2779 2.5561 2.4742 2.1239 2.2 2.3677 Inosine 7.4299 7.3972 7.1106 7.4622 7.4205 7.7819 7.2438 7.2731 7.298 6.6655 7.3415 7.21 7.298 7.2177 7.0756 7.2156 7.3093 6.9855 7.3255 7.2739 6.7182 7.6185 7.298 7.4364 7.3396 6.3148 7.8772 7.6971 7.1442 7.3873 6.7079 7.1724 6.9234 7.5878 7.1224 7.4477 6.905 7.099 7.0699 6.3953 7.4598 7.1793 7.2583 6.8815 7.112 6.7508 6.8967 7.14 6.967 7.5711 7.607 7.1706 7.0526 7.3161 7.3017 6.6067 7.2004 7.2601 7.2988 Isocitrate 6.5575 4.5599 5.0063 5.5829 4.8156 5.3787 4.8181 5.0296 5.8009 5.0655 5.2266 5.8343 5.4142 4.7744 5.8551 6.5893 5.9217 6.0082 5.2385 5.7339 5.6917 5.6906 6.0268 5.7559 5.7791 7.6165 6.3516 6.1812 6.0062 6.1901 5.4158 4.972 6.3944 6.1246 6.1294 6.3478 5.4404 5.924 6.5932 5.9178 6.6521 6.1143 6.0524 6.1208 6.5311 6.5101 7.3218 6.876 6.582 6.0588 6.7189 6.2016 6.5479 6.697 5.7971 6.9 6.2407 6.6963 6.0715 Isoleucine 6.6834 6.7354 6.6767 6.715 6.555 6.4347 6.6547 6.7366 6.7323 6.4644 6.617 6.7346 6.6466 6.6219 6.671 6.4294 6.4862 6.8828 6.6282 6.6445 6.7095 6.6496 7.2176 6.6985 7.1184 6.6623 6.9678 6.9218 6.4607 6.5892 6.5047 6.6317 6.5282 6.6135 6.6702 6.6677 6.7298 6.5556 6.4215 6.9256 6.4079 6.4948 6.4239 6.6491 6.7096 6.8204 6.1528 6.3867 6.5962 6.4984 6.7849 6.738 6.6189 7.3132 6.6014 6.5379 6.0378 6.5169 6.8247 Isovalerylcarnitine 5.5383 5.9853 6.0637 6.1869 6.4168 5.4525 6.2305 6.0956 5.1596 6.6135 6.2883 6.305 5.2757 6.1632 5.7103 5.7607 6.3653 5.7375 6.4968 6.0872 5.7431 5.5245 5.908 6.0773 5.5063 4.7933 4.684 4.6072 5.1315 5.6329 5.0499 6.1746 4.7913 5.2011 5.7925 6.198 4.865 5.5677 4.9562 5.4522 6.0778 5.3187 4.7453 5.6025 4.1915 5.0238 5.3879 4.7659 4.2581 4.8399 4.8241 5.7998 4.4955 5.7922 5.6309 3.9757 4.594 5.9254 4.4243 Itaconate 4.8826 3.3705 3.5898 3.5171 4.1023 3.9322 3.945 3.7983 3.6284 4.6526 3.3026 3.4277 4.4312 3.3886 3.5072 3.4471 3.4802 3.6921 3.3209 3.7338 3.9128 3.5306 3.496 3.5049 3.2269 4.5226 3.9284 3.737 3.6931 3.371 4.0094 3.5226 4.3091 3.8301 3.8411 4.0387 4.2289 3.9393 3.876 4.1749 3.2892 3.2856 3.5336 3.4257 3.477 3.9913 3.5087 3.224 3.2741 3.8379 3.4784 3.3102 3.4147 4.4145 3.4812 3.5645 3.4898 3.4322 3.5294 Ketoleucine 4.7736 3.9378 4.4826 4.203 3.772 4.4151 4.319 4.0337 3.7588 4.001 3.7908 4.34 5.2458 4.3219 4.1584 4.1916 4.2047 6.454 4.1896 4.2887 4.3273 4.3527 4.2431 4.6699 3.9058 4.8681 4.7275 4.9132 4.2133 4.5236 4.7068 4.5443 4.4703 4.5833 4.4972 5.7558 5.2718 5.8534 4.7085 6.2833 4.3067 4.1223 5.1143 5.1842 5.3349 4.8005 4.2316 4.2114 4.2445 5.0324 5.0472 4.3864 4.6454 7.1115 3.8624 4.3306 3.9471 4.5369 4.7341 Kynurenine 4.68 4.3186 4.3117 4.4466 4.3921 4.6646 4.3963 4.4832 4.6784 4.5931 4.4244 4.1939 4.8012 4.2181 4.7044 4.7748 4.6033 4.522 3.9293 4.5593 4.5351 4.3234 4.3979 4.7462 4.1453 4.8798 4.3588 4.831 4.9761 4.5571 4.7025 4.4451 4.4717 4.798 5.0365 4.9089 4.5936 4.9802 4.5966 4.6422 5.164 5.3183 4.9387 5.5317 4.7301 4.4775 4.7513 4.6825 4.5135 4.7106 5.0239 4.8507 4.5472 5.0646 4.4729 4.969 4.5224 4.4818 4.6814 L-DOPA 3.5483 4.025 3.5334 4.3136 3.7151 3.8333 3.4394 3.9432 3.9037 3.5548 4.0813 4.3001 3.9647 3.3676 4.5629 4.6522 4.3206 3.8102 3.8747 4.263 4.1719 3.959 4.4845 3.9015 4.1665 3.7017 4.5726 4.5144 4.6516 4.7283 3.5433 3.5121 4.8214 5.0476 4.4679 4.3029 3.8807 4.4618 4.8172 4.0299 4.7528 3.9969 4.6168 4.4627 4.9899 4.0721 4.771 5.0585 5.0023 4.4735 5.192 4.3563 4.7448 4.0029 4.5791 4.8845 4.635 4.9754 4.3707 Lactate 8.1897 7.1787 7.1907 7.3941 7.3678 7.3988 7.2221 7.249 7.8059 7.6995 7.2101 7.1015 7.5387 7.0036 7.3378 7.2454 7.27 7.5794 7.2413 7.2687 7.3327 6.9802 7.0933 7.2873 7.2463 7.9682 7.6091 7.3939 7.3047 7.4062 7.175 7.2616 7.2908 7.468 7.3189 7.3874 7.4196 7.2743 7.2307 8.0084 7.3133 7.2906 7.0452 7.1868 7.3176 7.7182 7.1098 7.3199 7.3121 7.0193 7.2651 7.4035 7.476 8.2467 7.4256 6.9948 6.9216 7.3775 7.4682 Lactose 3.7968 2.8535 2.9448 3.0048 3.1588 2.9822 3.5638 2.9593 3.7725 3.7131 2.5834 2.733 4.3913 2.9889 2.6974 3.0077 2.8406 3.009 2.785 3.2601 3.2478 2.6479 2.8496 2.9551 3.2922 3.7017 2.9226 3.0237 3.1775 3.2876 4.1211 2.9817 3.8016 2.8562 3.1409 2.9567 4.4837 3.0278 3.3199 4.0303 4.4566 2.8553 3.4327 2.9453 3.3765 3.4051 3.1852 2.9178 3.0662 3.0094 2.7656 2.6702 2.8054 3.3753 3.1292 3.3847 3.1088 2.7765 3.3066 Lactoylglutathione 4.0714 3.4344 3.2535 3.0139 3.3734 4.3614 3.1821 2.9725 3.9919 4.516 2.8957 3.2024 3.7878 3.1666 3.2191 3.5506 3.1454 3.2446 3.3605 3.0546 3.1615 3.2071 3.1536 3.0887 3.1157 3.7765 4.6491 3.6903 4.1812 3.4594 3.2455 4.1704 4.5174 4.3334 4.7239 3.7561 3.5435 3.8352 4.0133 3.4014 3.8421 4.0231 4.1896 4.0059 4.7142 3.4434 4.0042 4.5479 4.7261 4.4707 3.7291 4.1697 5.6127 3.6013 3.7398 4.2197 3.2491 3.8871 4.009 Leucine 6.6836 6.7353 6.6767 6.7151 6.555 6.4347 6.6538 6.7363 6.7325 6.4603 6.6136 6.7346 6.6464 6.6211 6.6688 6.4294 6.4861 6.8826 6.6281 6.6445 6.7086 6.6493 7.2148 6.6986 7.1156 6.6622 6.967 6.9214 6.4594 6.5894 6.504 6.6317 6.5257 6.6134 6.6701 6.6675 6.7288 6.555 6.4217 6.923 6.4069 6.495 6.424 6.6488 6.7096 6.8205 6.1533 6.3865 6.5959 6.4981 6.7845 6.7382 6.6182 7.312 6.6011 6.5326 6.0375 6.5168 6.8245 Linoleate 3.1472 3.4581 2.3545 2.3575 2.2796 3.7921 2.2627 2.6841 2.1287 2.7518 2.61 4.5361 3.7592 2.2898 3.3785 2.2291 2.1816 2.8471 2.4202 2.937 2.0793 3.041 4.2385 2.9415 4.5986 3.2751 4.5432 5.1449 3.4378 2.1495 3.3959 2.3072 3.3379 3.3123 2.4241 2.3893 3.6039 3.7193 4.4017 2.8575 2.3222 3.3868 4.5842 2.0649 4.2712 2.5578 2.9512 3.4098 4.707 4.7311 4.4269 2.3236 3.2087 3.7923 2.3061 4.6834 4.9998 2.4797 4.4683 Lithocholate 3.1694 1.4992 1.757 1.5474 1.7614 2.1314 2.0785 1.686 2.7173 3.2737 1.6191 1.8953 2.6688 1.7955 1.8307 1.8342 1.7859 1.9817 1.3771 1.7132 1.8213 1.9634 2.0974 1.9466 2.0012 3.0965 2.2615 2.6069 1.4774 1.2671 2.2754 1.2866 1.9662 1.6224 1.7233 1.8414 2.2126 2.0092 1.9712 2.0057 1.7709 1.614 2.6168 2.0737 1.9167 2.757 2.247 1.5256 2.4884 1.921 2.2793 1.7688 1.4106 2.619 1.8392 2.0937 2.5377 1.5642 2.2543 Lumichrome 4.5076 3.9641 4.0218 4.2467 4.3222 3.4994 4.3727 3.911 3.5764 4.0374 4.0195 3.8491 4.0859 4.1602 3.8945 3.6521 4.0969 3.203 4.1888 4.3478 3.9899 3.6659 3.5169 3.976 3.002 3.9181 3.0202 2.9207 3.3754 3.6659 3.0698 3.8431 3.1602 3.1953 3.535 3.646 3.5414 3.4409 3.0014 3.793 3.6287 3.358 2.838 3.5017 3.0901 3.6448 3.0001 3.1965 2.8485 3.1681 2.8402 3.2853 2.9538 3.8241 3.5777 3.0569 3.0174 3.745 3.0137 Lysine 4.3929 4.9564 4.8498 5.0341 4.9778 4.8441 5.1187 4.9651 4.7538 4.3177 4.7942 4.9562 5.5532 5.2886 4.9627 4.69 4.7397 5.0376 4.8603 4.9017 5.1706 4.7578 6.099 5.0058 5.4194 4.3987 5.0456 5.0512 4.9873 5.0894 5.3898 4.9418 5.0277 4.6974 4.8733 4.7189 4.9546 4.9169 5.4966 5.3518 5.1487 5.1261 5.7919 4.7977 5.0847 4.6572 4.635 4.9492 4.9836 4.8743 4.7223 4.8517 4.9875 5.6851 4.7574 5.6728 4.9748 4.6379 4.8263 Lyso-PC (16:0) 4.1568 5.2135 5.0731 4.8864 4.9582 5.0992 5.1028 5.0338 4.3949 5.1662 5.2389 6.1533 6.658 4.7893 5.7876 5.0019 4.8334 4.1797 5.2037 5.5154 5.0608 4.9078 6.8903 4.3132 6.2649 6.7961 6.0187 7.2177 5.191 4.9334 5.2936 4.7931 5.316 4.7489 4.458 4.7847 5.6807 6.0214 6.4423 5.3342 3.9959 4.9701 6.6709 4.7189 6.4821 5.5103 5.4827 5.9857 6.7313 5.4895 5.9142 4.9569 5.6172 5.9498 5.0006 6.1522 6.5082 4.6387 6.53 Lyso-PC (18:1) 4.407 5.1425 4.1336 4.5942 4.1771 5.1576 4.4605 4.4914 5.0254 4.7046 4.8407 6.1799 6.1375 4.0183 5.573 5.4071 4.8662 5.0605 5.1035 4.8528 5.2151 4.9363 5.9754 3.7644 6.0164 6.299 5.5951 6.779 4.7114 3.9472 5.147 4.1944 5.2738 5.0861 4.7101 4.601 5.4072 5.715 6.2967 4.6895 4.4143 4.6509 6.3099 4.1602 6.2182 5.0041 5.4114 5.7634 6.7422 5.5366 5.9083 4.7197 5.3916 6.3634 4.4084 6.2075 6.1607 4.2416 6.4108 Lyso-PE (16:0) 3.2623 3.8569 4.0668 3.6179 3.5281 3.2883 4.0229 4.1566 2.9388 3.5404 3.9479 4.5601 4.4646 3.5228 4.5118 3.4517 3.8296 3.2695 3.9896 4.3012 4.0759 3.9946 5.2598 3.0854 5.4277 3.9791 3.6343 4.223 3.4382 3.1939 3.8211 3.6575 3.2877 3.5181 3.1653 3.1863 3.7905 3.9482 3.9766 3.8679 3.3064 3.217 3.724 3.1911 3.8512 3.5047 3.5327 3.6129 4.0839 3.7845 3.5728 3.0704 3.3334 3.73 3.4043 3.6056 4.0289 2.846 4.3249 Lyso-PE (18:1) 3.1343 4.5277 3.5452 3.7721 3.4801 3.9827 3.4999 4.2485 3.5375 3.9544 4.43 5.6511 4.6186 3.3904 4.3227 3.8814 3.862 3.6506 4.0663 4.5376 4.0725 4.0439 4.8385 3.2364 5.0825 4.6903 4.0976 4.9049 3.6933 2.8602 4.347 3.7066 4.0735 3.6238 3.068 3.5084 4.0378 3.9485 4.2273 3.7999 2.7682 3.5757 4.2027 3.1644 4.2131 3.6442 3.5873 3.6733 4.401 4.4551 3.9775 3.3126 3.7463 4.5034 3.079 4.394 4.5179 3.0611 4.5723 Malate 7.032 6.7466 6.7404 6.7699 6.5543 6.4659 6.8149 6.7641 6.4789 6.7462 6.5915 6.6438 6.7915 6.724 6.8229 6.7107 6.7216 6.4742 6.8412 6.8833 6.8489 6.8027 6.9219 6.8078 6.8543 6.8229 6.7581 6.8794 6.6903 6.7169 6.7415 6.7509 6.6965 6.8396 6.4658 6.5259 6.5767 6.8663 6.988 6.9518 6.7876 6.8029 6.9299 6.6325 6.6288 6.9856 7.0323 6.7446 6.8191 6.6173 6.9734 6.2852 6.8711 6.6304 6.5538 6.9372 6.7653 6.5309 6.691 Maleate 4.5604 3.3812 3.3466 3.7581 3.285 3.372 3.432 3.5907 3.7683 3.9634 3.5165 3.435 3.7093 3.4732 3.5892 3.6761 3.4977 3.2644 3.5299 3.5331 3.5718 3.5006 3.4784 3.4949 3.3334 4.3714 3.4654 3.3094 3.324 3.2809 3.5481 3.2923 3.4873 3.3434 3.3212 3.5189 3.2893 3.3162 3.5388 3.6059 3.7039 3.4967 3.3094 3.3421 3.3356 3.7378 3.3352 3.5246 3.5691 3.2702 3.4618 3.1144 3.3632 3.6861 3.3043 3.5286 3.3099 3.5046 3.3436 Maleimide 3.5156 3.8389 3.9249 3.8321 3.8352 3.7696 3.7484 4.0699 3.5066 4.3333 3.9895 3.899 3.8669 3.7324 3.7722 4.0531 3.7912 3.8996 4.0274 3.916 3.7192 4.241 3.8286 3.7996 4.0611 3.3675 4.0863 3.5304 3.2687 3.2524 4.3055 3.6134 3.3064 3.4148 3.4319 3.5116 3.832 3.6974 3.39 4.2371 3.232 3.2669 3.2965 3.4005 3.4161 3.2792 3.1775 3.1584 3.1574 4.0602 3.9456 3.4732 3.2028 4.2986 3.2369 3.1725 3.2874 3.1167 3.2808 Malonate 4.0317 3.5063 3.5582 3.5044 3.5371 3.7229 3.8359 3.6459 3.4692 3.854 3.2875 3.4338 4.1936 3.6721 3.4559 3.5829 3.58 3.7358 3.5757 3.5351 3.6046 3.6331 3.5983 3.4852 3.4713 3.8589 3.9749 3.5201 3.466 3.6028 3.7862 3.6589 4.0297 3.5324 3.7739 3.5822 3.9199 3.6533 3.4801 3.9916 3.4317 3.5327 3.6321 3.3199 3.5635 3.5753 3.3621 3.5436 3.4129 4.0086 3.4173 3.396 3.6901 4.2273 3.5865 3.851 3.7618 3.6342 3.6781 Mannitol 3.8974 3.9806 4.5657 4.0531 4.0761 3.8988 4.1354 3.9401 5.3737 4.4928 3.8295 3.8896 5.9084 3.8536 4.2569 4.1796 3.7669 5.2324 4.4238 3.884 5.4811 3.625 3.5617 3.8955 3.8596 4.1982 3.9736 4.5857 4.7865 5.1876 4.3269 4.142 4.1117 4.135 4.0104 4.0068 4.3178 4.2234 4.2972 4.6112 4.8725 4.001 4.3464 4.1698 5.3204 4.2653 5.2776 4.6017 4.0716 4.0227 3.5818 4.741 4.833 4.4624 4.5351 3.9904 4.6122 5.0508 3.5397 Mesaconate 4.1878 3.2999 3.5969 3.6163 4.116 3.844 3.9303 3.8385 3.4432 3.7375 3.3542 3.4725 4.2738 3.5675 3.4392 3.5866 3.6258 3.7543 3.5011 3.7665 3.8771 3.582 3.3515 3.4764 3.0975 3.9093 4.0512 3.7139 3.6666 3.5754 3.8346 3.4365 4.2986 3.8602 3.8795 4.0129 4.2092 3.9476 3.9157 4.0979 3.7992 3.2742 3.3785 3.4027 3.5954 3.5902 3.4982 3.4846 3.3859 3.831 3.4891 3.3009 3.359 4.439 3.597 3.3571 3.5166 3.5118 3.3903 Methionine 5.2767 5.4262 5.3226 5.3984 5.1098 5.0048 5.2057 5.424 5.3324 4.8814 5.2972 5.5395 4.939 5.0795 5.4408 5.2182 4.9921 5.444 5.2428 5.3443 5.4115 5.1276 6.5771 5.3722 6.3465 5.4009 5.5772 5.6171 4.9702 4.6598 5.0997 5.047 5.1462 5.2804 5.2305 5.2307 5.1296 4.9005 5.0643 5.1646 4.8043 4.9414 5.2666 5.0147 5.4201 5.4899 4.882 5.1537 5.3313 5.2551 5.1515 5.3652 5.1309 5.7942 4.7143 5.3639 4.9271 4.8449 5.6584 Methionine sulfoxide 4.1681 3.6582 3.7193 3.5257 3.7917 3.7247 4.4046 3.517 3.3656 3.951 3.2394 3.3352 5.212 3.7135 3.4266 3.0916 3.1189 4.1719 3.9941 3.4866 3.5293 2.9443 3.7116 3.3146 3.3835 3.8822 3.5451 3.188 3.1759 3.4302 3.5774 3.926 3.4973 3.0413 3.6388 3.9494 3.8134 4.0266 3.1442 4.7864 3.2955 2.971 3.2103 3.5718 3.4522 3.5251 3.2868 3.2066 3.2485 3.3923 3.0137 3.5794 3.1092 4.8578 3.4747 3.6882 3.2269 3.223 3.7091 Methyl jasmonate 3.8475 2.5356 2.6152 2.5772 2.6095 2.8413 2.5089 2.641 2.9241 3.4016 2.6878 3.1805 3.6618 2.5095 2.9615 2.6721 2.8031 3.0254 2.4996 2.8594 2.7672 2.8995 3.0747 2.7247 2.7992 3.0984 3.3207 3.3808 2.6831 2.3433 2.7993 2.5286 2.8351 2.6557 2.3268 2.5648 3.1741 3.1925 2.5264 3.2139 2.3782 2.3668 2.6392 3.0003 3.1271 3.0704 2.58 2.5861 2.8855 3.1227 2.8105 2.4048 2.4371 3.6813 2.6398 2.8411 3.0053 2.4442 3.1466 Mevalolactone 3.1177 2.8082 3.0916 2.8591 2.6537 2.8926 2.8575 2.9934 3.0909 2.7478 2.7765 2.789 3.4479 2.997 3.1056 3.3103 2.7489 3.118 2.5686 3.1037 3.3456 2.8644 3.2915 3.2308 3.2156 3.1001 3.0884 3.0629 2.8209 3.0299 3.1527 2.8669 2.9163 2.7597 4.0276 3.0175 3.3171 3.2256 2.8147 3.1373 3.07 3.103 2.9823 2.8361 2.9733 2.7319 2.9427 3.0275 3.1003 2.795 2.6783 2.8724 2.8797 3.5385 2.8246 2.8441 2.5701 2.8203 2.8573 Mevalonate 3.8376 3.7815 3.7332 3.7105 3.6779 3.6234 3.5228 3.7773 4.3031 4.1414 3.5957 3.7612 3.8633 3.7751 3.8316 4.0182 3.7808 3.8832 3.8526 3.8037 4.2804 3.6928 3.8954 3.7466 3.5294 4.0155 3.8163 3.4316 3.2565 2.7426 3.3786 3.5994 3.4994 3.3057 3.3438 3.3399 3.4169 3.6426 3.3857 3.8247 3.2235 4.1503 3.0834 3.3976 3.3956 3.2411 3.8433 3.2203 3.3576 3.6517 3.5703 3.509 3.1566 4.2469 3.5412 3.5258 3.7318 3.1582 3.5941 Murideoxycholate 2.7974 1.537 2.0339 1.7134 2.3038 2.4198 2.3833 2.1731 2.3149 2.5398 2.2739 2.0786 3.7461 2.0847 2.1861 1.8434 2.1875 2.5178 1.1775 1.9397 2.2512 1.7923 1.7026 3.0484 2.024 2.6571 2.3301 3.2259 2.5717 1.7514 3.4213 2.0056 3.2452 2.8567 2.112 1.9686 3.3917 2.9266 2.7487 2.8606 1.5112 2.2233 2.9431 2.23 3.5404 1.9238 1.9423 1.9964 3.1331 2.6612 2.8946 1.5302 2.1837 3.0584 2.0132 2.2635 2.2691 3.1552 2.2721 N-Acetylalanine 5.9217 3.7086 3.8244 3.8499 3.8324 4.6841 4.2821 3.7521 4.9799 5.4456 3.695 3.9658 5.144 3.6365 3.8473 3.9509 4.0168 5.2381 3.8722 3.967 4.1379 3.9431 4.8613 4.034 4.6218 5.6086 5.024 4.564 4.2482 3.7802 5.2504 4.0435 4.3729 4.3312 4.7601 4.7588 4.9031 4.6883 4.1845 5.5057 4.0915 4.2729 4.4632 4.3966 4.815 5.5096 4.1849 4.0457 4.2763 4.987 4.4792 4.6246 4.3742 5.8512 4.2992 4.4504 4.4455 3.9662 4.7947 N-Acetylarginine 4.379 4.8297 5.0637 4.9989 5.0274 3.8999 4.6491 5.0232 3.6589 3.835 5.1201 4.5584 4.3378 4.7997 4.8792 4.5657 4.6125 3.8484 4.6758 4.8334 4.5911 4.8855 5.7741 5.111 6.1214 4.1104 3.9431 5.3908 4.6084 6.1291 5.4131 4.7207 4.9813 3.9327 3.5359 3.6027 3.8942 5.4311 5.6008 4.1904 5.5955 5.1508 6.0263 4.4822 5.2268 4.5163 5.4019 5.148 4.4629 4.2935 5.3472 3.6982 4.5236 4.5111 3.3702 5.013 5.5201 4.326 4.2774 N-Acetylasparagine 5.0451 3.4641 3.6214 4.2889 3.9962 4.1531 3.7433 3.7319 3.8839 4.2633 4.0845 3.5341 4.2022 3.7079 3.8762 3.9821 4.2917 3.7987 3.148 3.8218 3.8955 4.0885 3.8976 4.1743 3.7149 4.7891 4.4577 4.4933 4.1225 4.9769 4.6088 3.749 4.2544 4.3224 3.9953 3.4769 3.9716 5.0692 4.8561 4.045 4.3922 5.2074 5.14 4.2504 4.8253 4.3675 3.9028 5.0317 4.8362 4.1316 4.7034 3.4966 4.3884 4.2928 3.869 5.1365 4.7907 4.5136 3.501 N-Acetylaspartate 5.6033 6.995 7.0318 7.1912 7.0224 6.5871 6.7085 7.2076 6.2562 7.4477 7.2508 7.1683 5.2624 6.8759 7.0817 7.2795 7.0696 5.997 7.3267 7.0851 6.7803 7.1756 7.2588 7.0083 7.5093 4.9914 5.8012 5.4155 5.7136 5.1874 5.5977 6.6362 5.8946 6.0094 5.9858 5.7599 5.3827 5.4254 5.6306 5.2793 5.4201 5.9113 5.4055 5.1697 6.0383 4.5617 5.4874 5.2618 5.7643 6.2759 5.7271 6.0859 5.5129 5.5477 5.7813 5.1692 5.588 5.7031 5.6444 N-Acetylaspartylglutamate 4.017 4.8606 4.9307 4.9536 4.7314 4.4064 4.5848 5.0627 3.3561 4.2765 5.0814 4.8168 3.0257 4.5236 4.8157 5.0673 4.6339 3.8009 4.9286 4.8123 4.3809 5.0213 3.9885 4.6404 4.7887 3.7484 3.4642 3.4814 3.4501 3.3636 3.4378 4.5294 3.7423 3.8307 3.7733 3.4662 3.2953 3.4092 3.4741 3.1191 3.3551 3.7197 3.5745 3.5296 3.8993 3.4451 3.6268 3.7306 3.9321 3.5296 3.7186 4.1275 3.4245 3.2751 3.9124 3.4394 3.6228 3.3902 3.3454 N-Acetylcysteine 4.7086 3.484 3.7963 3.5113 3.3813 3.9925 3.4491 3.8397 3.5758 4.0645 3.2575 3.4647 3.5917 3.8353 3.3548 3.6514 3.5512 3.3083 4.5631 3.3958 3.7761 3.434 3.2004 3.7354 3.2899 4.1504 3.5283 3.4024 3.3086 3.5515 2.8555 4.1378 3.7131 3.6825 4.1898 4.2013 3.2318 3.5157 3.5302 3.1888 3.6682 4.3252 3.1329 3.3301 3.3991 4.024 3.4599 3.6397 3.3693 3.4142 3.2346 4.0255 3.0828 3.4804 3.6949 3.5539 3.6481 3.3909 3.87 N-Acetylglucosamine 3.8329 4.2204 3.879 3.8368 3.9016 3.9748 3.8991 3.9754 3.4889 3.9083 3.7719 3.849 3.9837 3.9234 3.891 3.9497 3.8911 3.9509 3.7654 4.0523 4.5156 4.1915 4.3701 3.9201 4.2243 3.7646 4.0466 3.845 3.6143 3.7474 3.8025 3.8569 3.9457 4.007 3.7788 3.8801 3.7343 3.5987 3.56 3.9477 4.5851 4.0823 3.7922 3.5067 3.748 3.9305 3.5711 3.5495 3.9082 3.7883 4.2574 3.4954 3.5846 4.0775 3.5514 3.9535 3.846 3.8018 3.93 N-Acetylglutamate 4.8745 5.4344 5.6875 6.0864 5.6317 4.7842 5.6247 5.6743 4.5088 4.2036 6.0719 6.0831 4.4562 5.5073 6.027 5.4652 5.3825 5.3778 6.1187 5.6637 4.9968 5.9267 6.1478 5.9043 5.6529 4.8971 4.9031 4.9987 4.9157 5.3368 4.887 5.3638 4.7222 4.948 5.0082 4.8858 4.4015 5.2088 5.3036 4.7512 5.4724 5.6606 5.2959 4.8584 5.0783 4.45 4.6046 5.2943 5.1564 4.8526 4.7604 5.3723 4.9201 4.9944 5.006 4.9616 5.0819 4.9911 4.7775 N-Acetylglycine 4.0771 3.1853 3.466 3.3761 3.2368 3.5592 3.3632 3.3663 3.5242 3.7514 3.2592 3.5025 4.2238 3.5287 3.6716 3.4571 3.5408 3.7751 3.1629 3.4967 4.0894 3.6638 3.9097 3.4107 3.4007 4.0179 3.8322 3.707 3.3086 3.4004 3.569 3.4396 3.526 3.3025 3.4725 3.6629 3.9302 3.6464 3.4138 4.0404 3.3172 3.3711 3.3395 3.6046 3.6036 4.2043 3.6812 3.246 3.4976 3.874 3.5989 3.3697 3.4837 4.3358 3.6421 3.75 3.3995 3.3872 3.5254 N-Acetylleucine 3.812 3.7149 4.3091 4.6296 3.9802 4.1 4.455 3.8767 3.2937 3.303 4.0223 3.6414 4.3941 3.449 4.1734 4.0231 4.6733 4.1215 4.2154 4.1909 4.2009 4.2256 5.6755 4.3734 4.5335 3.4215 3.7924 4.1484 4.4055 5.8859 4.1876 4.0978 3.792 4.7852 4.1403 3.7531 3.93 5.1689 4.6904 4.2777 5.2478 5.3812 4.7135 4.9451 4.1812 4.2584 4.0129 5.0852 4.2721 3.469 4.6826 3.7928 4.2838 4.5127 4.3156 4.3689 3.687 5.1462 3.2204 N-Acetylmethionine 4.0852 3.8481 4.4235 4.2726 3.8705 4.4634 4.5195 3.969 4.3016 3.7718 3.9794 3.5339 4.0882 3.5922 3.9406 4.065 3.9455 4.4864 4.4989 4.0416 4.2094 3.9285 6.8155 4.1364 5.7122 3.8056 4.0198 4.0854 4.3388 3.847 4.0983 3.8481 3.8649 4.0898 4.7782 4.9251 3.8846 4.3166 3.6481 4.112 4.3057 4.3154 4.1377 4.1375 3.9684 3.7052 3.727 3.9466 3.5156 3.8345 4.221 4.7698 3.8282 4.7277 4.4303 3.8915 3.7052 4.5258 4.3449 N-Acetylneuraminate 4.7357 5.6391 5.4674 6.0137 5.8315 5.9796 5.7609 5.7187 6.1464 5.1892 5.6731 5.8 5.7946 5.6749 5.7098 6.2508 6.2642 6.1527 5.7105 5.8427 6.1796 5.9578 5.6622 5.9543 6.2013 6.9697 6.0447 6.1871 7.0488 6.5708 6.4504 5.822 6.2394 6.2437 6.5664 5.4497 6.651 5.7052 6.3232 6.044 6.5709 6.4001 6.8938 6.7159 6.2835 7.139 7.0466 6.8187 7.2665 5.8909 6.6301 6.5698 7.2206 5.6971 6.2863 6.6098 6.9282 6.6797 5.7177 N-Acetylornithine 3.4685 3.2211 3.0248 3.627 4.4213 3.0751 3.5443 3.0734 4.0742 4.3532 3.1341 3.0248 4.8195 2.963 3.2636 3.0906 3.8491 4.093 2.9094 3.3457 3.4591 3.5986 3.5718 3.4794 4.1302 3.4359 5.1361 2.9529 3.1538 3.444 3.4666 2.9055 3.35 3.4217 3.2728 2.8202 3.1437 3.6162 3.6504 3.5245 3.8602 3.5109 4.0443 3.1634 2.9267 3.6748 3.4226 3.6617 3.099 4.8317 4.9274 3.2637 2.8362 3.516 2.8692 3.9733 3.7124 2.7393 3.2598 N-Acetylphenylalanine 3.7057 3.7359 4.0335 4.2178 3.992 3.8568 4.3217 3.9998 3.7326 3.58 4.2317 3.8097 4.4377 3.8231 4.2519 5.2768 4.9912 3.9887 4.2956 4.7116 4.3576 4.11 4.0435 4.8143 3.2854 3.4892 3.8093 3.0348 3.4474 5.017 4.0872 3.9678 3.9217 4.2876 3.6784 3.5735 3.9321 5.0383 4.812 4.3429 5.3094 4.8766 3.7904 3.7079 4.4267 3.686 3.8685 4.8739 3.9936 3.7666 3.8458 3.7344 3.9988 4.6897 3.8809 3.5382 3.8869 4.4009 3.5633 N-Acetylproline 3.5797 2.8506 3.3768 2.945 3.2338 3.3315 3.2076 3.0882 2.8696 3.7241 2.783 2.9476 3.9065 3.0604 3.0127 3.8314 3.7736 3.9021 3.5601 3.5779 3.5858 3.1632 3.045 3.4167 3.0529 3.5395 3.4657 3.0159 3.1659 3.0457 3.5566 3.5477 3.0408 2.9596 3.1138 3.2003 3.557 3.4682 3.0515 3.8424 3.2042 3.0564 2.8567 3.6061 2.9577 2.964 3.1206 2.9753 2.9482 4.8702 3.3323 3.1935 2.946 3.9473 3.0714 2.8816 2.9748 2.8906 3.1915 N-Acetylputrescine 4.6543 3.6259 4.0066 3.5784 3.705 3.7542 4.1432 3.9321 3.5088 3.7101 3.7378 3.5702 4.3175 3.7919 3.898 4.5362 3.741 4.3539 3.3979 4.1362 5.0442 4.0377 3.9693 4.2098 3.6773 4.4346 3.7107 3.7755 3.3799 3.1864 3.6621 4.2673 3.4541 3.5631 3.8046 3.5888 3.8429 3.6402 3.4909 4.0319 3.6599 3.4586 3.0527 3.3753 3.5587 3.1848 3.2734 3.3077 3.1086 3.9244 3.4649 4.3235 3.1355 4.226 3.4567 3.7666 3.756 3.0316 3.5828 N-Acetyltryptophan 4.0407 3.9407 4.1685 3.9275 6.8878 6.9176 4.2432 3.9638 6.641 3.6988 4.0771 4.8697 4.5859 4.1969 6.6337 7.6054 7.5917 5.7372 4.0881 7.3816 7.1875 3.9852 3.9062 7.2078 6.7222 3.7038 4.0601 3.4752 3.6503 4.593 5.1978 4.2899 5.9834 4.0147 6.635 3.4888 3.6485 5.2392 4.8529 6.5608 5.3675 4.6607 3.0693 4.3455 4.2546 3.9477 4.0587 6.4872 3.6032 4.2275 6.2505 4.3198 4.3586 6.6299 6.3387 3.4722 3.7109 6.0091 6.0621 N-alpha-Acetyllysine 4.1584 4.9974 5.354 5.4066 4.913 3.8086 4.5502 4.8695 3.9492 4.4047 5.5382 4.7292 3.9824 4.8573 4.993 4.8216 5.0276 3.9301 4.8989 4.7967 4.8617 5.0303 5.2266 5.2766 4.9231 4.1953 4.196 5.0987 4.0406 5.9494 5.1477 4.8218 4.604 3.757 3.599 3.8011 3.8612 5.184 5.7402 4.2054 5.3284 5.6068 6.1529 4.3018 4.7281 4.1602 4.9075 4.9123 4.3329 4.2716 4.89 3.8701 4.4354 4.4539 3.6292 5.8492 5.7271 4.3143 3.8803 N-Formylglycine 4.4296 3.3039 3.3339 3.1431 3.2019 3.4629 3.3834 3.3949 3.4972 4.0245 2.9904 3.3106 3.8385 3.2173 3.3923 3.1344 3.2256 3.6258 3.2166 3.3274 3.3161 3.5609 3.2171 3.1831 3.0455 4.2117 3.8756 3.3108 3.3299 3.6438 3.6699 3.3932 3.6832 3.2027 3.3284 3.5662 3.8072 4.1121 3.314 4.0059 3.1656 3.1345 3.2377 3.2325 3.8292 4.074 3.5883 3.0385 2.9532 3.9224 3.3646 3.0835 3.4016 4.0291 3.538 3.2939 3.6097 3.176 3.3776 N-Formylmethionine 4.1846 3.6276 3.6198 3.8831 3.6268 4.0418 3.3851 3.6796 4.0037 4.0861 3.7381 3.9893 3.7879 3.4951 4.0482 3.8815 3.785 4.1891 3.6505 3.7895 3.9304 3.1145 4.5061 3.4894 3.4565 3.8882 4.4136 3.8724 4.1008 3.4618 4.0115 3.2746 4.2747 3.9563 4.065 4.1866 3.9421 3.9807 3.8757 3.9425 3.6348 3.8307 3.468 3.7304 4.193 3.5053 3.9973 3.4324 3.5098 4.3576 4.2263 4.182 4.1261 4.7524 4.3526 3.8298 3.836 3.8855 3.9917 N,N-Dimethylarginine 5.2862 5.1088 5.3442 4.8122 5.0674 5.1626 5.1221 5.241 4.7652 4.8911 5.2 5.0173 5.2548 5.2208 5.1135 5.5841 5.1321 5.2573 4.9394 5.4295 5.3813 5.5684 5.5055 5.3191 5.4326 5.2857 4.8184 5.1002 4.9654 4.9436 5.1242 5.1464 5.0114 4.8617 4.3819 5.0501 5.2336 4.954 4.9045 5.2758 5.109 4.9431 5.113 4.8533 4.9451 4.8683 4.8229 4.7632 4.7254 4.8193 5.0224 5.1177 4.7105 5.5442 5.1574 5.5673 5.2017 4.5069 5.0448 N,N,N-Trimethyllysine 4.4426 3.77 4.1517 3.3634 4.038 4.0911 4.2932 3.9208 3.6586 3.7244 3.4505 3.6493 4.3338 4.021 3.462 4.2719 3.878 4.3205 3.4024 4.1182 4.271 4.1735 3.8129 4.4661 3.8474 4.1906 3.7759 3.8443 3.6347 3.2802 4.079 3.8292 3.7414 3.4686 3.8417 3.6802 4.1074 3.7761 3.4904 4.5951 3.548 3.7669 3.7186 3.6565 3.6771 3.5153 3.0696 3.3598 3.663 3.589 3.3608 3.7506 3.5545 4.744 3.5828 4.0834 3.5329 3.387 3.7243 N1-Acetylspermine 3.5277 2.9058 2.7049 2.5362 2.8445 2.8883 2.5494 3.0248 2.5086 2.9076 2.738 2.5154 4.031 2.5225 2.3599 2.7558 2.7185 3.6179 2.2425 3.1104 3.4225 3.2245 2.5807 2.8538 2.6916 4.0262 2.5815 2.5526 3.3699 2.4584 4.2765 2.9084 3.4159 2.6571 4.2684 3.4116 3.4709 2.8114 3.2167 4.7726 3.0138 3.4331 3.2087 2.7571 3.4513 2.7098 2.9067 3.3704 3.1115 3.0618 2.4738 3.1411 2.7796 4.5716 3.3698 2.3515 3.3516 2.3977 4.3829 NAD+ 5.8051 6.2902 6.58 6.5794 6.6405 5.7182 5.9682 6.6962 5.5249 5.6965 6.422 6.6144 4.7576 6.5102 6.4139 6.7502 6.4372 5.5591 6.3408 6.3331 6.3094 6.3566 6.1752 6.1997 5.9973 6.3941 4.6725 4.5251 6.5569 6.5136 6.0014 6.0698 6.1583 6.0517 5.7328 5.5015 5.5076 5.7146 6.1674 5.7971 6.5245 6.1799 5.8927 6.1119 6.2182 5.9913 6.2865 6.3351 6.1399 4.8206 6.2299 5.9888 6.5496 4.9458 5.7788 6.0684 6.1665 6.3253 6.3025 NADPH 4.5869 2.8372 2.9711 2.8988 2.9803 3.1805 2.9275 2.8575 3.4241 3.8742 3.0563 2.8602 4.0322 3.1204 3.0181 3.077 3.2719 3.284 2.8827 2.8983 3.3554 3.0832 3.0162 2.8361 2.4714 4.2669 3.0941 2.7844 2.9896 2.8659 3.2397 3.18 3.2755 2.6885 2.952 3.1048 3.427 3.3243 2.7957 3.6899 2.9738 2.858 3.1478 2.8782 3.1392 4.5288 3.0738 2.7447 2.7823 3.154 3.1199 2.8477 3.1221 3.7142 3.2466 2.7813 2.6292 2.9081 2.8258 Nicotinamide 6.1171 6.5587 6.3965 6.3613 6.2675 6.3426 6.4538 6.3294 6.1975 5.8812 6.2478 6.3299 6.2763 6.2195 6.2105 6.1409 6.2619 6.282 6.3703 6.1808 6.2114 6.7427 6.1732 6.2981 6.3102 5.5869 6.2663 6.5114 6.2751 6.4392 6.1464 6.2273 6.2403 6.0401 6.4081 6.5578 6.197 6.1981 6.0531 6.1283 6.1759 6.1038 6.0476 6.2292 6.1213 6.0217 6.088 6.0494 6.4483 6.6436 6.5602 6.2181 6.212 6.2345 6.419 5.8878 6.2138 6.1883 6.2576 Nicotinamide hypoxanthine dinucleotide 5.5047 4.0437 4.4733 4.2699 4.8679 4.8328 4.0277 4.9158 5.1096 4.359 4.5648 4.8318 3.7832 4.4842 4.9546 4.8317 5.0846 3.8247 4.6773 4.7362 4.1552 5.1194 3.76 4.8653 4.4554 5.1882 4.3189 4.7354 5.1825 4.1801 4.6591 4.4746 4.5805 5.2453 5.0626 4.3046 4.2905 4.2398 4.5664 4.7441 5.1112 4.8816 5.4154 5.1148 4.9639 5.8359 6.3284 4.9577 5.2851 5.0458 5.0103 4.6335 5.0285 4.3396 5.5017 5.0943 5.5027 4.9424 4.9469 Nicotinamide mononucleotide 3.7067 4.5043 4.5821 4.6309 4.551 3.8379 4.3573 4.9427 3.79 3.7287 4.7654 4.9417 3.8565 4.2604 4.7653 4.0208 4.3131 4.3421 4.3619 4.7744 4.4478 4.1371 5.5367 5.0367 4.9124 4.5623 3.5426 4.9183 4.4662 4.0788 4.2702 4.1085 4.4402 4.4741 4.1163 3.922 4.4001 4.6969 4.6592 4.7805 4.5157 4.3234 4.6072 4.6296 5.0492 4.6303 4.3756 4.5511 4.0181 4.753 4.704 3.4954 5.0185 4.144 3.3988 3.8631 4.937 5.1032 4.25 Nicotinate 3.7516 3.6139 3.7053 3.409 3.6222 3.6065 3.7484 3.5343 3.5587 3.8581 3.3915 3.4326 3.984 3.5301 3.5164 3.7499 3.5748 3.7241 3.3003 3.6427 3.9359 3.8649 3.3859 3.7361 3.6759 3.7951 4.1458 3.6212 3.4572 3.3438 3.5639 3.5618 3.5457 3.3592 3.9971 3.6907 3.6051 3.6548 3.3518 3.9571 3.1948 3.4351 3.4329 3.3808 3.6482 3.4347 3.4451 3.4486 3.5356 3.7808 3.6975 3.4662 3.3705 4.1697 3.3824 3.3418 3.3363 3.2788 3.6266 Nor-Desoxycholate 3.4864 2.7669 2.6113 2.5556 2.7272 2.8332 2.9619 2.6355 3.0141 2.8685 2.479 2.7343 3.6588 2.596 2.8662 2.7629 2.5253 3.0197 2.5617 2.7771 3.0353 2.7075 2.8925 2.6005 3.3606 3.031 3.0699 2.9012 2.4427 2.4567 2.9149 2.5841 2.7869 2.6112 2.6349 2.8309 2.9885 2.8372 2.6656 3.6338 2.4922 2.6568 2.5397 2.6903 2.6961 2.7183 2.3659 2.5774 2.9258 3.0283 2.6883 2.4919 2.3578 3.5988 2.6072 2.6587 2.7503 2.7786 3.1974 O-Acetylserine 5.9888 6.2043 6.1424 6.2511 6.25 6.0822 6.1723 6.1918 5.7518 5.6088 6.2411 6.1791 5.626 6.2593 6.0931 6.0737 6.0743 5.8903 6.1006 6.211 6.0314 6.4339 6.5947 6.2473 6.4526 5.8051 5.7252 6.1729 6.4712 6.5548 6.3284 6.0202 6.4395 6.4485 6.3866 6.0124 6.1846 6.0665 6.2545 6.0151 6.5163 6.5449 6.392 6.4319 6.026 6.3615 6.6063 6.4536 6.3167 6.1129 6.3764 6.2308 6.2398 6.1455 6.4886 6.2986 6.451 6.3713 6.0087 O-Adipoylcarnitine 4.3978 5.2762 5.5233 5.608 5.7394 3.9939 4.8545 5.6674 4.4921 4.5089 5.4332 5.6795 4.1798 5.5826 5.4009 6.0342 5.1994 4.2053 5.3742 5.4265 6.4365 5.655 5.7171 5.2835 4.7205 4.4981 4.1951 4.3192 3.9941 4.2918 3.737 5.4503 4.2238 4.5746 4.0012 3.6761 3.6795 3.9437 4.8436 4.4314 5.6109 3.8244 3.7571 4.4924 3.9602 4.0986 4.7283 4.1632 4.3923 4.369 4.1792 4.1396 3.742 4.7852 4.6232 4.5376 4.4333 3.9899 4.4221 O-Phosphoserine 3.7889 3.7938 3.7115 3.9554 3.7781 3.8256 3.9841 3.769 3.2941 3.4768 3.8289 3.9071 3.5605 3.7537 3.8837 3.7381 3.8423 3.2851 3.7977 3.7965 3.652 3.9269 3.7308 3.8427 3.7656 3.5248 3.5708 3.6874 3.7839 3.8782 4.0985 3.6041 4.1244 4.0787 3.9205 3.9051 3.8396 3.6377 3.9086 3.7137 3.7482 4.0599 3.9877 4.04 3.6624 3.7925 3.9766 3.8049 3.9848 3.712 3.8117 3.9816 3.8454 3.7076 3.9397 3.7168 3.9029 3.802 3.6328 O-Succinyl homoserine 3.1234 3.2265 3.5028 3.1843 3.268 4.0256 3.6852 3.5226 2.934 3.2469 3.0272 3.1852 4.3287 3.3418 2.9822 3.2632 3.0129 3.5809 2.9575 3.6311 3.5773 3.6176 3.298 3.2893 3.284 3.151 4.8859 3.7428 3.7461 3.4369 3.6151 3.4101 3.4618 3.6496 3.1394 2.8457 3.6869 3.5625 3.4703 3.9915 3.7688 3.4823 3.2393 3.8205 3.4292 3.7315 3.0884 3.2863 3.2505 4.1022 3.5729 2.9705 3.2715 3.846 2.8692 3.2635 3.5051 3.3792 3.1024 O-Succinylcarnitine 4.6291 5.1047 4.8668 4.9823 5.1046 4.4973 4.8233 5.1888 4.2214 4.5786 5.2722 4.9155 4.57 5.1094 5.2276 5.3963 5.2872 4.9955 4.966 4.7486 5.208 5.1732 5.3732 4.9254 4.2988 4.9443 4.2722 4.6758 5.4787 5.3566 5.1872 4.8943 4.8903 5.1572 4.859 4.4167 4.5708 4.6496 5.162 4.7736 5.7965 4.4638 5.3441 4.9583 4.8358 4.8349 5.2576 5.4359 5.594 4.5806 5.0128 4.9866 5.1633 4.8345 5.0839 4.8839 4.7606 4.9467 4.3909 Octopamine 3.4858 3.0347 3.2396 3.0295 3.1069 3.3633 3.2707 3.1305 3.0865 3.1613 2.9852 3.0328 3.7725 3.2054 2.8345 3.1403 2.9949 3.4051 2.8253 3.1624 3.2855 3.1904 2.8342 3.0334 2.7709 3.0359 3.682 3.0984 2.9822 2.7571 3.8958 3.0379 2.8804 3.0275 2.853 2.781 3.3905 3.2539 2.9486 3.5846 2.8006 2.8932 2.8853 3.1544 3.0876 2.8279 2.8513 2.5317 2.8845 3.336 3.1848 2.8355 2.8563 3.9206 2.5358 3.0123 2.9458 2.5863 2.958 Ophthalmate 5.27 4.0294 4.1088 4.0926 4.5577 4.9685 4.5473 3.6517 4.3238 4.8765 3.4177 3.1821 4.8346 4.7325 3.2979 4.802 3.9109 4.5931 3.4236 3.4282 3.9089 4.0517 4.3046 3.6774 5.0396 4.1263 5.1399 3.9635 6.2369 5.5264 5.7042 5.0219 5.5156 5.7099 5.3887 4.862 5.6726 5.5481 5.7629 4.835 5.6077 5.8376 6.0622 6.0607 5.3997 4.4474 5.8307 6.1836 5.3919 5.5566 4.5338 5.3457 6.1239 3.9374 5.3425 5.9952 5.539 5.1482 4.7553 Ornithine 4.389 4.3461 4.2911 4.4408 4.5274 4.4986 4.7351 4.4764 4.1181 4.1742 4.2684 4.3021 5.3929 4.6588 4.4181 4.1908 4.2082 4.6638 4.3046 4.3408 4.5401 4.2143 4.9647 4.5397 4.7681 4.2266 4.6037 4.6276 4.6234 4.5269 5.0151 4.3491 4.5272 4.3742 4.2317 4.3503 4.5905 4.5825 4.796 4.9329 4.781 4.6363 5.2551 4.4804 4.7457 4.3417 4.2198 4.5536 4.482 4.2896 4.4536 4.3621 4.5354 5.3035 4.0443 5.4637 4.5618 4.2009 4.6604 Orotate 4.0282 3.7206 3.5653 3.5777 3.7641 4.0483 3.6799 3.7287 3.8954 4.0797 3.6514 3.6333 4.4755 3.7763 3.5978 3.659 3.6798 4.0346 3.751 3.7396 3.8418 3.8143 3.4707 3.8298 3.5633 3.7816 3.9584 3.8666 3.775 3.2751 3.8615 3.6459 3.8651 3.5909 3.7622 3.9057 4.1044 4.1511 3.7236 4.5233 3.5537 3.589 3.46 3.8684 3.6715 3.6575 3.5663 3.4823 3.5437 3.8832 3.8494 3.5432 3.707 4.5799 3.6108 3.6113 3.4993 3.6982 3.8288 Oxoadipate 4.294 3.5159 4.1539 3.7124 3.6177 3.443 3.8164 3.6442 3.5149 3.8936 3.5972 3.7023 4.1799 3.6868 3.7093 3.381 3.6974 3.9557 4.0022 3.5762 3.5444 3.543 3.1988 3.9638 3.1263 4.0574 3.6469 3.3231 3.6199 4.1001 4.231 3.5067 3.7903 3.4442 3.3364 3.9446 3.801 3.8093 4.2093 3.8554 4.3317 3.5326 4.221 3.8372 3.7791 3.4855 3.1904 3.9312 3.7039 3.9867 3.3623 3.6333 3.455 4.3999 3.4781 3.5981 3.9669 4.1222 3.5734 Oxoproline 6.5311 6.6167 6.3785 6.4851 6.6185 6.8044 6.5 6.6676 7.13 7.3022 6.6846 6.6285 7.1834 6.6899 6.646 6.4125 6.5329 6.6291 6.5035 6.7792 6.5568 6.6615 6.8117 6.6318 6.4335 6.4127 6.8952 6.8852 6.8764 6.4922 6.9872 6.5062 6.8661 6.5714 6.6296 6.4325 6.9455 6.7408 6.7251 6.9391 6.444 6.7083 7.0928 6.6123 6.7906 6.6166 6.4991 6.6637 6.5723 6.749 7.025 6.5757 6.1827 6.9509 6.7535 6.8895 6.9791 6.5551 6.3985 Pantothenate 5.6555 6.4443 6.657 6.7381 6.2458 5.7805 6.2491 6.6679 5.7171 5.5077 6.468 6.6875 5.9294 5.8837 6.6172 6.2351 6.0993 6.2011 6.7437 6.2356 6.054 5.8587 6.0955 6.3291 6.4829 5.8072 5.7217 6.1625 5.2929 5.7745 5.6866 6.1853 5.9996 6.1606 6.0757 5.647 5.0007 5.3848 6.0122 4.9108 5.8261 5.9578 5.3315 5.5697 5.694 5.8602 4.886 6.0847 5.9834 5.5311 5.9407 6.6308 5.8539 5.2182 5.8549 5.4276 5.2415 6.23 5.8127 Phenethylamine 4.4267 4.3938 4.6266 4.5621 4.8099 4.8344 4.7164 4.4729 4.4906 4.7779 4.3916 4.3162 5.063 4.5495 4.2545 4.1896 4.2684 4.7101 4.6537 4.3774 4.3848 4.3181 4.3425 4.464 3.751 3.8958 3.9874 4.0574 4.3305 4.6358 5.2679 4.5631 4.6119 4.5467 4.4864 4.6722 4.92 4.4158 4.3627 5.1957 4.483 4.5636 4.1207 4.4003 3.8856 3.9645 4.5509 3.8709 3.2675 4.7112 4.0935 4.4652 4.4434 4.903 4.2809 3.6785 4.0355 4.0052 4.0714 Phenylacetate 4.5631 3.2435 3.4511 3.0532 3.1782 3.2579 3.1395 3.1369 3.4327 3.9467 2.9233 2.879 3.9622 3.5589 3.1746 3.1433 3.4148 3.4093 3.0681 3.1652 3.1197 3.9965 2.854 3.0905 2.7969 4.3616 3.5781 2.993 2.8772 2.5261 3.2041 3.0435 3.2251 3.0871 3.1231 3.0517 3.457 3.3075 2.6402 3.6955 2.8027 2.8845 2.9588 3.1923 2.9209 3.4403 3.2737 2.705 2.7754 3.3261 2.8518 3.0168 2.8544 3.9343 2.8764 3.088 2.8557 2.9696 3.1236 Phenylalanine 6.5898 6.6098 6.5569 6.5753 6.4055 6.2401 6.565 6.6157 6.5959 6.4789 6.4784 6.623 6.6372 6.4419 6.6154 6.4249 6.4832 6.7008 6.5052 6.5418 6.5448 6.4752 6.9868 6.5664 6.8483 6.5718 6.9138 6.7491 6.3763 6.5831 6.3983 6.4799 6.4421 6.4858 6.5824 6.5644 6.5415 6.4658 6.4583 6.8641 6.5284 6.3959 6.5019 6.431 6.6128 6.7166 6.2749 6.5058 6.4882 6.6465 6.6873 6.6518 6.5425 7.2804 6.5102 6.4972 6.3698 6.4781 6.4417 Phenylethanolamine 3.0556 3.2523 3.6812 3.0836 3.2703 3.4731 3.0069 3.0558 2.8671 3.1487 2.9505 2.7829 3.3964 3.3606 2.7626 3.0946 3.335 3.1622 2.9604 2.9267 2.831 3.436 3.0673 3.2554 3.1234 2.958 3.5827 3.6872 2.8204 3.5784 3.2704 2.8482 2.9862 3.2461 2.7436 3.0674 3.0936 3.087 2.7974 3.4373 3.2768 2.9116 2.8022 2.8948 2.7325 2.5966 3.6001 2.6849 2.7657 3.3693 3.4728 2.8701 2.7011 3.4852 2.7227 2.595 2.7654 2.6439 2.975 Phenyllactate 3.9881 4.1332 4.3895 4.1749 4.503 4.0255 4.0315 4.2493 4.6475 3.6579 4.2751 4.184 4.824 4.7348 4.4707 4.1298 4.1107 5.4061 4.2064 4.6603 4.5713 3.6579 3.8836 4.0208 3.7752 3.9629 4.226 3.5132 3.9054 3.9998 3.7158 4.2904 4.1353 4.0313 4.4777 5.2099 4.2291 4.4803 3.7382 5.35 4.2448 3.8114 3.2646 4.0989 4.2559 3.6816 4.2768 4.2946 3.7216 3.7119 3.4807 4.5618 4.2458 6.2936 4.8177 3.2381 3.4113 4.3366 4.3743 Phosphocreatine 2.6509 2.3928 2.9995 2.5738 2.7878 2.884 2.9183 2.8261 3.0507 3.1428 2.538 2.4167 3.2347 2.9552 2.4154 2.8116 2.7251 2.5824 2.7015 2.6656 2.9386 3.0663 2.506 2.7627 2.6825 2.4238 3.1712 2.6087 2.9562 2.9148 3.094 2.8224 2.7919 2.8797 2.9029 2.7235 2.8336 2.8114 2.7864 3.0912 2.7698 3.0489 2.4256 2.6786 2.4917 2.7018 2.8104 2.6439 2.7345 3.0777 2.8494 2.5443 2.7977 2.9286 2.8273 2.4872 2.7751 2.6271 2.7563 Phosphoethanolamine 5.2163 5.8258 5.7628 5.757 5.9269 5.9151 5.8209 5.8576 5.5231 5.2859 5.6975 5.6643 5.7227 5.9474 5.5649 5.6188 5.7144 5.4 5.6898 5.737 5.8643 5.6487 5.4768 5.5829 5.3204 4.8617 5.4616 5.2991 5.3907 5.4761 5.6665 5.8229 5.7939 5.3944 5.8817 5.8338 5.6597 5.6929 5.4603 5.6315 5.3828 5.6557 5.2876 5.6553 5.5662 5.1661 5.5014 5.1841 5.6026 5.6338 5.3253 5.4366 5.7685 5.4876 5.9599 5.483 5.7372 5.5097 5.6412 Phosphorylcholine 5.8998 6.053 6.2188 6.2987 6.4308 6.2542 6.3861 6.4914 6.1202 6.1018 6.2082 6.1218 5.4929 6.2213 6.0703 6.4413 6.1331 5.3082 6.2466 6.2608 6.5092 6.083 5.914 6.365 6.0646 5.5989 5.4782 5.7566 6.5172 6.2374 6.1471 6.3919 6.3071 6.1907 6.2631 5.9286 6.3118 6.3307 6.3852 5.3826 6.1535 6.6877 6.0182 6.1649 6.0223 6.5098 6.0492 6.0978 5.9928 6.1491 5.5133 5.6512 6.4839 5.0781 5.8933 6.0853 6.5611 6.4634 6.1856 Phosphoserine 4.4353 4.1128 3.9275 4.176 4.204 4.2483 4.0422 4.1488 3.9768 4.166 3.9519 4.1169 3.9227 4.0863 4.129 3.8036 3.9107 3.7575 4.0025 4.0748 3.9914 4.0493 3.8268 3.8631 3.9156 4.0635 4.2224 3.9492 3.9538 3.8455 4.7568 4.0318 4.6705 4.1115 4.3154 4.2013 4.4022 4.1977 4.2534 4.0405 3.7821 4.3981 4.5788 4.2323 4.2596 3.8833 4.021 4.2058 4.3023 4.1997 4.0865 4.2127 4.3226 4.1953 4.1888 4.322 4.3537 3.9919 4.0207 Pipecolate 4.6099 4.2901 4.5192 4.583 4.3427 4.6161 4.3104 4.4484 4.5009 4.5505 4.1911 4.2517 4.6793 4.3287 4.2431 4.1948 4.5864 5.345 4.3558 4.3278 4.0881 4.6699 4.9886 4.3929 4.9018 4.5692 4.6905 4.9 4.3929 4.7476 4.6354 4.3466 4.2213 4.3477 4.2348 4.9701 4.6518 4.646 4.5215 5.0794 4.1047 4.2621 4.4459 4.4878 4.3111 4.2358 4.3898 4.0362 4.4623 4.8113 4.7504 4.8071 4.5736 5.2671 4.3212 4.7453 4.1932 4.1827 5.009 Porphobilinogen 2.7578 2.6414 2.791 2.4023 2.7772 2.7719 2.8501 2.5625 3.1025 3.1887 2.1263 2.6433 3.1888 2.6123 3.0135 2.5516 2.8424 2.8253 2.3611 2.6683 3.2754 2.8031 2.2915 2.6982 2.4988 2.6243 3.5745 3.2596 2.5599 2.454 2.7111 2.8148 2.7488 2.8178 2.5998 2.6707 2.8618 2.7555 2.6115 3.2025 2.7418 2.7624 2.6175 2.635 2.5031 2.7026 2.5027 2.5527 2.5656 3.2326 3.1202 2.7436 2.816 3.1914 2.8727 2.4398 2.4226 2.2011 2.5912 Proline 6.4009 6.3329 6.2398 6.2397 6.218 6.3649 6.3335 6.3227 6.6946 6.3566 6.149 6.1989 6.3158 6.173 6.2811 5.9928 6.0018 6.6033 6.0848 6.1556 6.2605 6.2078 6.1865 6.2318 6.1389 6.2734 6.3802 6.2574 6.2238 6.3753 6.1523 6.1068 6.3556 6.2312 6.3754 6.4965 6.2929 6.2552 6.1331 6.9239 6.0591 6.1513 6.219 6.1995 6.3119 6.4298 5.8587 6.1438 6.4775 6.2002 6.12 6.5163 6.1395 6.957 6.5237 6.3891 6.0239 5.9365 6.1924 Propionylcholine 4.4245 4.7691 4.4686 4.7823 4.9455 4.6504 4.4939 4.7938 4.4801 4.3192 4.2851 4.7297 4.6742 4.8053 4.3123 4.4656 4.6223 4.7477 4.6181 4.7094 4.486 4.6994 4.6015 4.6598 3.4317 3.9629 4.3234 4.4119 4.4564 4.4673 4.6563 4.4208 4.8081 4.1222 5.0048 4.4574 4.588 4.5666 4.4457 4.4513 4.7174 4.5263 4.355 4.7347 4.5807 4.3891 4.8703 4.1797 4.6643 4.4734 4.5642 4.5821 4.5014 4.9165 4.6485 3.907 4.2938 4.4409 4.3907 Pterin 4.2176 3.4161 3.318 3.1906 3.3121 3.1693 3.541 3.396 4.0782 3.9134 3.0196 3.383 3.7915 3.472 2.9531 2.975 3.4257 3.264 3.3912 3.2309 3.1941 3.2778 3.9884 3.3413 3.1404 4.2383 3.362 2.8295 2.5275 2.3314 3.2588 3.3449 2.8723 2.8775 3.0706 3.1683 3.2823 3.1862 2.732 3.6247 2.5429 2.9299 2.8411 2.7934 2.9816 3.7159 2.9116 2.5138 2.7955 3.4128 2.6537 2.8864 2.669 3.8455 3.0232 2.9564 2.986 2.459 3.1535 Putrescine 2.8141 2.4795 2.1453 2.5058 2.5125 2.576 2.5793 2.6886 2.92 2.5346 1.961 2.034 3.1327 2.1125 2.2347 2.684 2.3694 3.4096 1.8261 2.3103 2.5796 2.4582 2.2145 2.6939 2.315 3.2363 3.4003 2.9449 2.5108 2.4373 2.9499 1.9211 2.8598 2.9337 3.3866 2.692 2.9168 2.7415 2.6935 3.2877 2.765 2.9875 2.5048 2.7683 2.5128 2.4641 2.9342 2.8171 2.7958 2.7557 3.0858 3.3354 2.5052 3.0745 3.0717 2.3009 3.0913 2.6859 2.8939 Putrescine-NH3 3.0897 2.6945 2.9447 2.91 2.9226 3.1816 3.0417 2.9687 3.143 2.8829 2.8976 2.8544 3.6677 2.9149 3.0516 3.1696 3.0914 3.4491 2.7264 3.0681 3.1148 3.1886 3.2191 2.9969 3.2257 3.4685 3.3661 3.4985 3.1802 3.1844 3.5476 3.0293 3.3506 3.4266 3.2861 3.1987 3.3794 3.3218 3.1184 3.4709 3.3273 3.3087 3.2653 3.1019 3.4243 3.3149 3.5423 3.387 3.5136 3.699 3.1663 3.3596 3.4577 3.2319 3.331 2.9792 3.4434 3.2096 3.5915 Pyridoxal 3.9784 4.285 3.8658 4.0111 4.0964 4.4066 3.7239 3.9229 3.7584 3.7273 3.9528 3.989 4.6792 4.0119 4.1358 3.9776 3.9987 4.002 4.0408 3.5962 4.1793 4.5547 3.3438 3.9652 3.5174 4.0937 4.1442 4.3151 3.8541 4.3486 4.7521 4.0241 4.5271 4.6412 3.7438 3.668 4.1543 3.806 3.9954 4.1557 3.8168 3.7736 4.2065 4.2699 4.1451 3.6248 4.342 3.5485 4.0391 4.1735 4.5553 3.3851 4.6145 4.6843 3.6663 4.1269 4.0013 3.6989 4.3534 Pyridoxine 3.8253 4.1495 4.2123 4.2494 3.9499 3.7966 4.2566 4.0296 3.9012 4.4892 3.9049 3.9508 4.3103 3.5523 3.7186 3.9424 3.65 3.8787 4.1452 3.9976 3.9855 3.7127 3.2792 4.2292 3.5101 3.7766 4.4496 3.6473 3.7546 3.9558 3.9468 3.8917 3.7042 3.6402 3.8525 3.5729 3.9136 3.6939 4.1564 4.0729 4.0131 3.7007 3.7046 4.083 3.6154 3.5534 4.1156 3.5854 3.5979 4.0511 4.2695 3.8125 3.3897 4.163 3.846 3.747 3.8098 3.6043 3.465 Pyrocatechol 4.3854 3.7368 3.9491 3.5743 3.6655 3.6479 3.8259 3.9941 4.1592 4.4039 3.6498 3.1463 4.3951 4.0774 3.7529 4.2819 5.2782 3.7825 3.7684 3.9939 5.2402 3.9024 3.5234 4.136 3.5669 4.3271 3.6339 3.3536 3.2009 3.0866 3.6123 4.1968 3.2603 3.4322 3.3673 3.6242 3.8325 3.7636 3.4824 4.0149 3.2314 3.3251 2.9917 3.3219 3.3598 3.848 3.6315 3.1152 3.0117 3.499 4.4208 3.4782 3.4892 4.4022 3.4171 3.423 3.3655 3.3095 3.2848 Pyroglutamate 6.531 6.6161 6.3783 6.4849 6.6183 6.8042 6.4997 6.6671 7.1296 7.3022 6.6843 6.6285 7.183 6.6898 6.6459 6.4124 6.5323 6.6289 6.5029 6.7783 6.5561 6.661 6.8111 6.6308 6.4332 6.4123 6.8945 6.8851 6.8761 6.491 6.9871 6.5056 6.8658 6.5709 6.6295 6.4318 6.9451 6.7407 6.7248 6.9387 6.4438 6.7081 7.0925 6.6117 6.7899 6.6165 6.499 6.6631 6.5721 6.7487 7.0238 6.5754 6.1821 6.9504 6.7535 6.8891 6.9791 6.5547 6.3982 Pyruvate 4.7622 4.6549 4.6814 4.6551 4.6514 4.8044 4.5607 4.6505 5.2247 4.5299 4.5652 4.6637 5.0455 4.4938 4.7883 4.6622 4.6893 4.8916 4.749 4.5892 4.6993 4.4958 4.5339 4.638 4.5707 4.638 5.038 4.6873 4.6054 4.7305 4.6469 4.6805 4.8897 4.7658 4.7149 4.8312 5.0297 4.8116 4.6381 5.3769 4.7592 4.5682 4.4307 4.5853 4.679 4.4555 4.9651 4.8156 4.7357 4.5075 4.6608 4.6198 4.8888 5.5417 4.7406 4.6223 4.4289 4.766 4.9003 Quinate 3.7983 5.862 5.6649 3.3981 5.5218 5.4211 4.271 5.5898 4.1447 5.0917 4.7557 4.9672 3.6816 6.0109 4.9041 4.2582 6.085 5.5415 5.4949 5.4887 4.596 4.7703 3.7466 6.4862 3.6676 3.7051 5.7094 5.1269 3.8847 3.6522 5.4034 5.5917 5.7995 4.4302 5.8749 5.1291 5.074 3.992 5.0534 4.2983 3.1934 5.0147 4.806 4.5478 3.1102 4.3636 5.7313 4.8318 5.1323 3.5622 5.3767 5.5021 5.0122 5.4021 3.5409 5.6816 3.9731 5.8194 3.827 Raffinose 3.6921 3.3225 3.3433 3.5641 3.9755 3.5519 4.0077 3.2868 3.0912 3.5207 3.0528 3.1022 4.7988 3.2427 2.999 3.144 3.1527 3.2495 3.3691 3.2257 4.0363 3.2258 3.1961 3.3373 3.132 3.5941 3.3334 3.2611 3.6363 3.6276 5.2745 3.3977 4.8945 3.7245 3.415 3.4678 5.7657 3.8682 3.9084 4.4947 5.1991 3.1328 3.9088 4.0202 3.9194 3.482 3.3418 3.3518 3.3515 3.4586 3.0459 3.3041 3.5667 3.7813 3.6353 3.1805 3.1891 3.3327 3.2511 Ribitol 2.6477 2.653 2.2882 2.7158 2.8393 2.6788 2.5291 2.7422 2.7085 2.9454 2.3861 2.2887 2.9992 2.3963 2.3225 2.3399 2.3911 2.2205 2.5867 2.5104 2.2939 2.7832 2.1223 2.5618 2.4164 2.1413 2.8909 2.1417 2.5456 2.7628 2.6003 2.4525 2.5945 2.5156 2.6263 2.7738 2.5394 2.4914 2.5038 2.7959 2.5317 2.389 2.3032 2.347 2.0152 2.2482 2.4726 2.1353 2.3375 3.0115 2.5231 2.3289 2.2332 2.5796 2.4298 2.1792 2.2037 2.3303 2.162 Riboflavin 4.682 3.951 4.0957 4.1957 3.9779 3.515 4.4386 3.5149 3.9519 3.7571 3.2173 3.6863 4.7702 4.3378 3.3847 5.4288 3.5065 3.5823 3.8705 3.5294 4.7027 4.7014 5.7698 3.8034 5.0043 4.0928 3.7856 3.9452 3.2597 3.3065 3.5127 3.9761 3.6184 3.6345 3.247 3.348 4.3749 3.8477 3.3479 3.7771 3.029 3.5422 3.0212 3.752 3.4187 4.5029 3.1371 3.0816 2.8087 3.4722 3.5025 3.2024 3.1607 4.1072 3.4976 3.1848 3.3264 3.5381 3.8735 Ribose 5-phosphate 4.5299 4.2096 4.0202 4.2716 3.9001 4.0324 3.9418 4.0991 3.992 4.2372 4.1524 4.1896 4.3632 3.894 4.0499 4.1775 4.2149 4.1371 4.255 4.2181 4.2433 4.2529 4.5387 4.087 4.3428 4.4596 4.2616 4.2327 4.1797 4.5468 4.1918 4.0998 4.1517 3.987 4.2996 4.4584 4.4856 4.1398 4.0609 4.4297 4.168 4.2929 4.625 3.8588 4.0808 4.0809 3.9282 4.1191 4.1135 4.3617 4.0597 3.8654 4.1951 4.5381 4.2802 4.0912 4.2871 4.3577 4.6605 S-adenosylhomocysteine 4.5294 5.3611 5.2931 5.559 5.545 5.2146 5.2976 5.5447 5.2872 3.9941 5.5843 5.5702 5.0161 5.2186 5.2964 5.2817 5.6637 5.0463 5.5822 5.6059 5.3598 4.4698 5.6903 5.6497 5.3254 4.117 5.0121 5.2493 4.7496 5.4026 5.1928 5.2045 4.9632 4.6901 5.3281 5.485 4.8716 4.8967 5.1515 4.8041 4.8129 5.0521 5.1708 5.3761 5.1507 4.294 4.9762 5.0339 4.8643 5.1747 5.2324 5.5651 4.722 5.179 5.7892 5.1003 5.5585 4.9367 5.2916 S-Adenosylmethionine 3.9498 3.9144 4.2964 4.206 4.1337 4.0413 4.4552 4.0578 4.2447 3.6471 4.0755 3.8979 3.7688 3.9853 3.912 4.85 4.3843 3.6629 4.2733 3.8971 4.5707 4.8102 4.8543 4.4294 4.3878 3.9891 3.4756 3.8062 4.5605 5.4756 4.0291 3.9972 3.829 4.5899 4.2066 4.1482 3.8475 3.9735 4.4104 4.1101 4.7892 4.7099 3.8509 4.3209 3.5864 4.6306 4.1001 4.6301 4.4277 3.6219 3.6581 4.799 4.4443 3.369 5.1019 4.1502 4.097 5.0188 4.4154 S-Carboxymethylcysteine 2.8067 3.2147 3.3045 3.2196 2.7154 2.9489 2.9068 3.1466 3.0434 3.0281 3.4473 3.2544 3.211 3.0917 3.4893 3.0299 3.2046 2.8829 3.2523 3.1418 3.5687 3.1684 3.3283 3.3522 3.2125 2.7879 2.6244 2.8523 2.8506 3.0811 2.866 3.0949 2.8672 2.8628 2.7946 2.7259 2.7443 2.4937 2.762 3.0536 3.1188 2.7635 3.0109 2.7364 2.7578 2.8797 2.6924 3.005 3.3226 3.1375 3.0975 2.8426 2.6911 2.9509 2.8559 3.0798 3.1925 2.7117 2.7353 S-Methylthioadenosine 5.2269 4.7927 5.123 5.0988 4.9408 4.8711 5.267 5.151 4.7086 4.7447 4.9957 5.0486 4.6121 5.0603 4.9928 5.1362 5.5218 4.9596 4.7946 5.1172 5.4113 5.6798 4.7029 4.9526 3.9185 5.3935 4.6448 4.6537 5.5899 5.7233 5.4874 5.1584 5.3643 5.4941 5.3856 5.4448 5.3342 5.676 5.6864 5.573 5.6238 5.1108 5.5405 5.7505 5.1823 5.5297 4.942 5.3297 4.9756 4.7628 5.1071 5.482 5.7002 5.3593 5.7013 5.2262 5.0286 5.5419 5.1269 Saccharate 5.0823 4.5981 4.5571 4.7228 4.6031 4.6473 4.5088 4.702 3.912 4.2652 4.5288 4.2707 4.4611 4.5322 4.5188 4.5959 4.4592 4.1608 4.5073 4.5456 4.9858 4.646 4.5558 4.7609 4.356 4.9979 4.4017 4.1525 4.6352 4.622 4.5073 4.6616 5.4232 4.6512 5.1765 4.7315 4.4451 4.4265 4.6655 4.6078 5.1341 4.845 4.4114 4.2837 4.2128 4.1265 4.2981 5.625 4.3691 4.3187 4.3424 4.4102 4.3676 4.7402 4.7385 4.4284 4.7702 5.1119 4.3538 Salicylamide 3.9225 4.2015 3.0739 2.8508 2.9996 2.8622 3.2564 3.0446 3.2082 4.6039 2.8816 2.8471 3.8355 3.0238 2.8321 2.8799 2.8505 3.1541 2.964 2.7637 3.0998 2.8462 2.828 2.8249 2.7106 3.6554 3.6799 2.7911 2.7017 2.4236 2.9747 3.0724 3.2115 3.0055 2.9688 2.9422 3.3666 3.4794 2.9483 3.7207 2.6014 2.6035 3.0627 2.8827 3.0651 3.2958 3.0969 2.8578 2.8611 3.3107 2.7925 2.5612 2.9906 3.9857 2.5503 3.15 2.9726 2.7653 3.0489 Salsolinol 3.8594 3.692 3.852 3.9786 3.7135 3.7308 3.5663 3.8421 3.8839 3.6807 3.5072 3.7267 3.833 3.4976 3.7651 3.4442 3.8967 4.3141 3.933 3.6556 3.549 3.7145 3.2053 3.9265 3.2767 4.0407 3.4627 3.9081 4.0849 4.0108 3.6842 3.5445 4.0374 4.3747 4.3981 3.6108 3.7914 4.005 3.988 3.9424 4.1607 3.9067 3.8198 3.9791 3.7868 3.5077 4.0868 4.0177 3.9286 3.6395 3.8398 4.1034 4.2381 4.2587 4.0141 4.0974 3.6309 4.3981 3.7729 Sarcosine 3.8857 4.1791 4.1786 3.9833 4.0761 4.1438 4.2777 4.2069 3.8291 3.9387 4.1001 3.9615 4.4674 4.3415 4.0651 3.9289 3.999 3.9889 4.0628 3.9948 4.076 4.0429 4.4478 4.1702 4.3443 3.9965 3.7669 4.1057 4.3229 4.3021 4.5328 4.1859 4.3433 4.1542 4.0081 4.0235 3.9942 4.0472 4.2485 4.6494 4.4607 4.4406 4.0915 4.3776 3.9463 4.4203 4.2134 3.9741 4.3963 3.8599 4.2342 3.978 4.1586 4.215 3.7876 4.1866 3.9713 4.3631 3.9545 Sebacate 4.0796 4.6313 4.6432 4.5809 4.9727 4.7723 4.6743 4.9684 4.7208 3.9957 4.6348 4.5886 5.173 4.4116 4.6766 4.7969 4.6338 4.6013 4.2914 4.6802 4.6384 4.6456 5.1904 4.5394 4.2191 3.947 5.0998 4.2075 4.2073 4.0482 4.5078 4.6254 4.5348 4.9252 4.7837 4.9488 5.1019 4.9506 4.3915 5.8912 4.3094 4.2664 3.4397 4.4543 4.2224 3.4537 3.8789 4.309 3.8504 4.5561 4.4917 4.0948 4.1761 5.3602 4.5701 3.7556 4.1277 4.1276 4.2658 Sedoheptulose 7-phosphate 5.1877 4.4522 4.3482 4.3553 4.5348 4.6641 4.7737 4.1263 3.5649 4.3616 3.7508 3.6531 5.0283 4.6747 3.5093 4.1453 3.7951 3.7937 4.0718 3.8181 3.8993 4.3879 3.568 4.1778 3.8957 4.8196 4.3944 4.1421 3.99 4.2779 4.704 4.4688 4.709 4.3042 4.6308 3.8274 4.5425 4.4579 4.2765 4.5169 4.2632 5.0379 3.6936 4.074 3.7412 4.7661 3.9274 4.2814 4.3262 3.8441 3.8703 4.3816 4.7464 3.9761 4.8818 3.8887 4.2497 4.5143 4.4482 Serine 4.5816 4.4392 4.3583 4.0917 4.5163 4.6042 5.1981 4.1714 4.1346 4.4399 4.1249 4.1297 5.6384 5.0398 4.206 3.9551 4.208 4.4364 4.3711 4.1596 4.4219 4.2309 4.9745 4.3725 4.7267 4.1863 4.5478 4.3379 4.3647 4.1643 5.0109 4.604 4.3374 4.0275 4.1536 4.1068 5.053 4.4607 4.1392 5.0082 4.242 4.3866 4.419 4.2313 4.3093 4.4594 3.7107 4.3621 4.2013 4.3613 4.1284 4.1543 4.3433 4.7957 4.1481 4.4867 4.2726 4.0904 4.2641 Serotonin 3.1636 3.0378 2.9711 2.9109 3.024 3.1081 3.0355 2.8872 3.1005 3.6748 2.7457 2.8855 3.8703 3.2795 2.8193 3.0066 3.1799 3.4868 2.7528 3.1151 2.9893 3.058 2.7781 3.059 2.9019 3.0502 4.0507 3.1236 2.7996 2.9512 3.3332 2.7558 2.9789 3.2733 2.793 2.8143 3.0029 2.964 2.8224 3.7402 3.2216 2.6649 2.7865 2.8424 3.4437 2.6223 3.1441 2.7103 2.4094 3.845 3.8172 2.818 2.7111 3.5973 2.6726 2.5305 2.4711 2.6795 2.835 Sorbate 4.0739 3.0784 3.1107 3.0867 3.093 3.3099 3.3632 3.1314 3.2747 3.5998 2.9442 3.046 4.0369 3.1752 2.9928 3.1298 3.1884 3.3716 2.994 3.0654 3.2882 3.1233 2.9015 3.2058 2.9519 3.8056 3.7456 3.0662 2.9524 2.7739 3.8258 3.118 3.4461 3.0776 3.1292 3.2182 3.5465 3.37 3.2905 3.6584 2.73 2.7439 3.6022 3.0735 3.4843 3.489 3.0648 2.9795 3.1021 3.775 3.3579 2.8613 3.2948 4.1749 2.9446 3.6184 3.4159 2.9059 2.8759 Sorbitol 2.7549 2.5234 3.1602 2.6372 2.7736 2.6924 2.6461 2.7037 3.9288 3.3517 2.5162 2.1259 4.3116 2.6063 2.3157 2.6408 2.4711 3.6726 2.7457 2.5205 3.7127 2.3987 1.87 2.5211 2.2085 3.1102 2.4258 3.1401 3.159 3.3242 2.9095 2.73 2.6534 2.6849 2.4236 2.5211 3.084 2.7857 2.8251 3.2569 2.9801 2.5753 2.6923 2.6286 3.5599 3.2343 3.4264 2.5439 2.2318 2.8707 2.2735 3.0165 3.1104 2.7476 2.7594 2.3341 2.9923 3.1714 2.1332 Spermidine 5.3643 5.2013 4.9408 5.3552 5.0492 5.2599 5.0002 5.2754 4.722 4.549 5.0314 5.3082 6.0151 4.7089 5.3599 5.5372 5.2262 5.2147 4.9178 5.4184 5.2844 5.7174 5.3583 5.2982 5.4593 5.5809 6.0652 5.5023 5.5363 5.406 5.7271 4.9766 5.8248 5.8212 5.2817 5.2069 5.6065 5.4556 5.5208 5.3219 5.7865 5.5261 5.633 5.2095 5.6163 5.6244 5.9226 5.7819 5.797 5.8757 6.0325 5.6038 5.7205 4.9406 5.6145 5.1952 5.7422 5.4291 6.0404 Spermine 4.9261 4.8055 4.6298 4.7587 4.4196 5.258 4.6362 4.4528 5.0488 4.3882 4.6876 4.6839 5.8747 4.5824 4.7185 5.2258 4.8892 4.5978 4.5524 4.8864 4.8339 5.766 5.9113 5.0447 6.1093 5.1108 5.2053 5.2893 4.8519 4.9746 5.4894 4.7587 5.1826 5.0456 4.8728 4.8948 4.9449 4.5254 5.4024 4.9269 4.6443 5.1695 5.7455 4.381 5.4557 4.8239 5.5047 5.5487 5.4233 5.2813 5.1854 4.5066 5.2785 4.658 4.5772 5.4802 5.2759 4.8157 5.4584 Stachyose 4.0907 4.3748 4.082 3.698 3.9695 3.7308 4.6293 3.8994 3.3168 3.6069 3.5468 4.0034 5.4993 3.5967 3.4355 3.5954 3.5095 3.9091 3.7665 3.5799 4.1438 3.6449 3.3152 3.5633 3.3683 4.0781 4.1057 4.2836 4.177 3.4437 6.1552 3.8807 5.5441 4.0732 3.417 3.6559 6.186 4.9129 4.3524 5.2291 5.5413 3.082 4.1956 4.5939 4.1192 3.4924 3.5023 3.2989 4.2844 3.8569 3.1981 3.0199 3.9451 4.5923 3.8828 3.1396 3.0795 3.1494 3.4277 Stearate 3.1254 2.9397 3.1453 2.7711 3.0217 3.3294 3.126 3.0144 2.8123 3.3996 2.7971 3.2731 4.2356 3.0751 3.043 2.9236 2.9565 3.4168 3.0274 3.0667 3.1193 3.1135 3.1222 3.2131 4.2935 2.9335 3.6663 4.1998 3.247 2.8004 3.4653 3.0548 3.3617 2.9753 3.0625 3.0098 3.7042 3.3552 3.4709 3.7127 2.6991 3.1404 3.6312 3.2521 3.4192 2.8101 3.3537 2.9925 3.729 3.5917 3.5157 2.6203 3.0591 3.9048 3.0364 3.8416 3.9771 2.9462 3.8875 Stearoylcarnitine 3.2087 3.1897 2.993 2.7857 3.045 4.1094 2.895 3.3776 4.1191 4.4284 3.4403 4.5605 3.9533 3.2048 3.5159 3.4463 3.3798 2.9792 2.8648 3.8473 3.4429 3.1457 4.3594 2.4824 3.6789 5.835 3.7501 5.076 4.094 3.0101 3.2687 3.279 3.7257 3.6393 2.7632 3.0941 3.3568 4.161 4.7779 3.4373 2.6706 3.6969 4.3077 2.9664 4.7587 3.9999 4.3023 4.2164 4.9915 3.552 4.0963 3.2873 3.7044 3.8109 3.0833 4.7463 5.4388 2.9485 4.7787 Suberate 4.2275 4.4138 4.454 4.6559 4.5643 4.4615 4.6118 4.2812 5.0255 4.4004 4.7083 4.1009 5.5115 4.5318 4.3064 4.9221 4.6468 4.8361 4.29 4.5922 4.5855 4.8279 4.8854 4.447 4.4165 3.7328 4.5807 4.1575 4.3507 4.299 4.2229 4.0878 4.2186 4.2691 4.446 4.5277 4.7597 4.7568 4.1784 5.0731 4.3292 4.3437 4.0747 4.3945 4.2521 3.5781 3.7544 4.3154 3.6583 4.4707 3.9429 4.228 4.2548 5.3866 4.3444 3.6472 3.8181 4.3144 4.22 Succinate 6.4737 6.7942 6.6872 6.5953 6.6587 6.3534 6.5258 6.7874 7.4269 6.924 6.7562 6.6692 6.487 6.6555 6.8375 6.6646 6.66 6.1635 6.7474 6.6885 6.783 6.6589 6.8122 6.6493 6.4754 6.8529 6.5831 6.5017 6.3261 6.5344 6.3702 6.4749 6.1916 6.4225 6.074 6.1378 6.2289 6.4923 6.2638 6.6057 6.3586 6.2861 6.0217 6.4165 5.9914 6.9533 7.1919 6.3355 6.2869 6.2957 6.4118 6.1175 6.2696 6.4023 6.2981 6.0713 5.8946 6.351 6.1235 Tartrate 5.7242 3.8792 3.8981 4.7892 4.7214 3.9819 4.1269 4.9508 4.2055 4.6123 4.7652 3.8592 4.7066 4.1008 4.4264 4.2391 4.5485 3.9982 3.9677 4.1103 4.6721 4.8365 4.1282 4.2908 4.1172 5.8469 3.9391 3.6654 4.6 3.8994 4.2169 4.2023 4.3134 3.83 4.1373 4.0404 4.4889 4.0245 3.9158 4.4311 3.9116 3.8471 4.1262 3.8204 3.8027 4.3316 4.0941 4.1029 4.0197 4.5156 3.5085 4.1231 3.8371 4.5341 4.3236 5.5916 4.0782 4.0771 3.9158 Taurine 7.5174 7.0609 7.0317 7.002 7.2714 7.253 7.0468 7.0958 6.6462 6.9822 7.0028 6.9766 6.9628 7.2422 6.8282 6.948 6.9957 6.3907 6.9939 6.9815 7.0038 7.0374 6.8303 6.9092 6.8556 6.9655 7.0059 6.6414 7.0738 6.9298 7.119 7.1616 7.3056 6.949 7.2215 7.1522 7.0982 6.9633 6.8821 7.229 6.8841 7.0553 6.6345 6.906 6.9523 7.1684 7.0906 6.6591 7.0086 7.1144 6.6807 6.8135 7.1395 6.7527 7.2415 6.7337 7.0059 7.0145 7.3574 Tetrahydrobiopterin 2.8163 2.6853 2.8501 2.4785 2.607 2.99 2.7416 2.8969 2.8397 3.3096 2.7088 2.7045 3.198 2.6446 2.6516 2.5539 2.7204 3.1678 2.7019 2.6457 2.9444 3.0913 2.956 2.8674 2.9601 2.9767 3.2157 3.0626 2.5778 2.5764 3.0507 2.9121 2.6239 2.5282 2.4939 2.893 3.0599 3.0398 2.6022 3.411 2.5955 2.2908 2.2629 2.4882 2.3956 2.6299 2.7268 2.3537 2.7567 2.867 2.9946 2.5869 2.4222 3.4085 2.5168 2.6959 2.6769 2.4775 3.288 Theobromine 4.4731 4.6506 4.5872 4.3921 5.2673 4.8419 5.1943 4.6876 4.4642 4.1679 4.935 4.3023 4.7064 4.7331 5.1302 4.7082 4.8199 4.9516 3.7257 5.248 4.7567 4.0219 3.5954 4.6777 2.5573 4.5214 4.5193 4.3112 3.9036 4.4933 4.5108 4.3049 5.4747 5.143 4.5927 4.572 4.3886 5.6651 4.6872 5.2214 5.1719 3.3792 4.9681 4.5306 4.3287 4.0161 5.2229 4.6777 4.1287 2.817 4.9874 4.5852 4.0897 6.4577 4.7552 3.7238 3.6163 4.3312 3.0425 Theophylline 3.6881 4.7322 4.7834 3.5296 4.5575 4.9299 4.6257 4.9112 4.6532 3.9738 4.8661 4.6502 5.1531 5.0561 4.5618 4.5603 4.5616 5.2112 3.9838 4.9885 3.594 4.0575 4.1393 4.5649 2.7302 3.3847 5.2132 4.8493 4.1424 3.8802 4.376 4.268 4.577 4.1006 4.6775 4.6958 4.9271 4.8946 5.1601 5.5756 4.9763 3.5792 4.7083 4.8717 4.519 3.0967 5.3437 4.1083 4.1809 3.0899 5.0031 4.6558 3.8189 6.1588 3.7782 3.8811 4.0962 4.455 2.8426 Thiamine monophosphate 2.9904 3.1576 3.1248 2.9435 3.3733 3.218 3.1928 3.0522 2.8514 3.0396 2.972 2.9031 3.2473 2.9831 2.9898 3.0952 2.9806 3.0208 3.0339 2.9289 3.1793 3.4425 3.6552 3.1525 3.6978 2.9851 3.1642 3.365 2.9218 3.0293 3.1657 2.9426 2.7515 3.2574 2.9268 3.2368 2.9207 3.0604 2.9094 3.4341 3.2085 3.4223 2.7678 2.9373 2.9914 2.7649 3.2165 2.7282 2.9446 3.2484 3.0615 3.167 2.9293 3.2268 2.7578 2.8071 3.057 2.8364 3.458 Threonine 4.3461 4.5333 4.5248 4.4103 4.5227 4.5397 4.6485 4.5172 4.15 4.2214 4.4023 4.3449 4.6933 4.6113 4.3544 4.2462 4.2857 4.5912 4.322 4.2559 4.5228 4.5287 5.2186 4.4453 5.0037 4.3121 4.4739 4.4221 4.3363 4.4486 4.5872 4.4484 4.5487 4.3494 4.4564 4.3328 4.516 4.3418 4.1554 4.8264 4.4096 4.4343 4.3118 4.3244 4.4189 4.628 3.9205 4.2041 4.4773 4.3114 4.253 4.4959 4.2556 4.7908 4.3319 4.4417 4.2717 4.2747 4.5017 Thymidine 3.7937 4.0601 3.6372 3.4457 3.3222 3.7345 4.122 3.6511 3.1554 3.303 3.5039 3.6628 4.1072 3.6489 3.34 3.2203 3.3511 4.1028 3.8226 3.3578 3.5008 4.1294 4.0149 3.3746 3.2599 3.5697 3.7811 3.4586 3.1357 2.9996 3.6132 3.3763 3.3385 3.5928 3.2389 4.0648 3.7895 3.5219 3.2817 4.07 3.6264 2.6661 3.0219 3.2136 3.4286 3.2658 2.7548 2.9045 2.9871 3.6737 4.0726 3.2891 3.4036 4.9735 3.1827 3.174 3.4613 3.0798 4.2338 Thymidine monophosphate 5.5957 5.5275 4.8802 4.649 4.9553 4.7096 4.1727 4.7237 5.2691 4.8881 5.1928 5.4109 3.7849 5.1492 5.2806 5.1384 4.9243 5.009 5.2111 4.9462 4.6276 4.566 4.4916 4.2349 4.2263 5.5054 4.6042 5.0529 5.4923 4.4432 4.4041 4.762 4.8543 5.1071 4.852 5.2682 4.6702 4.6234 5.5147 5.0917 5.145 4.937 4.8178 4.5122 5.103 5.9696 6.1224 5.1687 4.965 5.4054 5.3951 4.9013 4.8595 5.3537 4.8667 5.0148 5.2568 4.9373 5.4505 Thymine 3.8424 4.0729 3.8093 3.5306 3.4247 3.5029 4.069 3.7468 3.3886 3.7609 3.5359 3.8328 3.7754 3.365 3.4014 3.2812 3.4926 3.7517 3.8996 3.3545 3.5681 3.264 3.1989 3.4409 2.9369 3.7942 3.6899 3.16 3.0935 3.5069 3.4492 3.602 3.1817 3.1705 3.1859 3.5701 3.2523 3.4072 3.0981 3.4077 3.5235 3.073 2.8394 3.1613 3.0107 3.4655 3.8349 3.453 3.2724 3.4009 3.4296 3.3066 3.4348 4.369 3.2373 3.387 2.94 3.3207 3.4153 Thyrotropin releasing hormone 4.6091 2.9438 2.9572 2.6016 3.0717 3.0252 2.7467 2.7865 3.0536 2.5505 2.7394 3.2019 3.0079 3.0724 3.1772 2.646 2.8943 2.9174 2.669 2.949 3.1387 3.6672 3.2786 2.9533 4.4482 3.5541 5.4444 4.1357 2.9881 2.9577 2.7921 3.0567 3.8633 4.0995 2.7452 2.98 4.4793 2.9738 4.3344 2.7267 3.1895 3.7799 2.7211 2.8623 4.9055 3.9538 3.4378 4.0532 4.641 5.056 4.3124 3.0076 4.328 3.9572 2.5878 3.7423 3.9512 2.4708 3.8449 Thyroxine 3.6352 2.3799 2.3613 2.3844 2.6489 2.6762 2.7116 2.5824 2.4902 3.3702 2.1624 3.0851 3.2625 2.3274 2.3537 2.1952 2.6927 2.7199 2.2157 2.483 2.4245 2.6822 2.7307 2.4481 2.8034 3.2807 3.4856 3.8505 2.5858 2.0007 2.7439 2.4195 2.8049 2.8509 2.4056 2.733 2.6287 2.8372 2.939 3.2191 2.2343 2.1785 2.7105 2.064 3.674 2.9463 2.803 2.4518 3.28 3.5391 3.5856 2.5872 2.4515 3.704 2.2583 3.2154 3.5771 2.3608 2.9149 trans-2-Dodecenoylcarnitine 5.1424 3.994 3.9948 4.2514 4.288 4.606 3.6303 4.1309 4.8858 5.1032 4.2314 4.5509 4.4338 4.0806 4.5335 5.0636 4.534 4.4688 4.2837 4.5588 4.5431 4.9379 4.8805 4.3508 4.0848 4.7883 4.322 4.6398 4.4266 4.2467 4.3404 4.428 4.0993 4.5973 3.9013 4.6265 4.7885 4.7383 4.8969 4.934 5.8324 5.1472 4.1621 5.0892 4.7314 5.1419 5.1838 4.8969 4.4424 4.4115 4.4066 4.579 4.5906 5.4982 4.3593 4.51 5.3238 4.4027 5.1689 trans-2-Tetradecenoylcarnitine 5.5736 4.2368 4.1518 4.2234 4.0241 5.0496 3.6903 4.4844 6.1086 5.7629 4.5418 5.2073 4.4654 4.0723 5.134 5.3509 4.7954 4.2054 4.5392 5.1394 4.9035 5.2818 5.6409 4.4451 4.8562 5.5286 4.7767 5.5469 4.7405 4.3146 4.4903 4.5574 4.2777 4.8122 4.1466 4.8864 4.6977 4.993 5.7105 4.6955 5.7505 5.3465 4.9529 5.1307 5.4159 5.4593 5.1756 5.2914 5.1757 5.0322 5.6938 4.7095 5.1271 4.9513 4.1043 5.2731 6.0904 4.2649 5.5956 trans-Aconitate 4.3876 4.3996 4.1781 4.5782 4.0584 4.6603 4.2418 4.5076 4.1718 4.1815 4.521 3.8883 3.8636 4.0253 4.4428 4.6047 4.4336 4.0645 4.3522 4.3426 4.7938 4.2043 3.9889 4.2834 3.8062 4.3665 4.1609 3.9585 4.446 4.1956 4.2439 4.2365 4.4858 4.2906 4.8641 4.6321 4.305 4.2406 4.1687 4.3444 4.3049 4.4833 3.8334 4.36 3.7988 4.1762 4.6574 4.3332 4.1963 4.0615 4.2612 4.2119 4.6694 4.5058 4.8235 4.3653 4.0576 4.9207 4.2333 trans-trans-Mucanoate 4.1399 2.8733 3.0903 2.9351 3.0644 3.041 3.1262 2.8974 3.2752 3.8685 2.6787 2.8719 3.9924 3.099 2.8129 2.971 3.0484 3.3402 2.8915 2.9494 3.2069 3.085 2.7658 3.0678 2.7313 3.647 3.247 2.9147 2.829 2.7338 3.3247 2.9199 3.2152 2.8282 2.953 3.0178 3.4454 3.25 3.0119 3.7479 2.8812 2.7825 2.86 3.0317 2.9258 3.4721 3.04 2.7087 2.6788 3.1505 2.843 2.7316 2.9055 3.7528 2.9918 3.0259 2.9705 2.875 2.983 Traumatate 3.919 4.0243 4.0544 4.1627 4.0376 4.0026 4.0267 3.9634 4.5992 3.7346 4.3024 4.2891 4.6938 3.9626 4.366 4.1537 4.0709 4.3656 3.9193 4.3195 4.2905 4.2984 5.1175 3.7973 4.0881 3.8413 4.4454 4.4016 3.9938 3.8197 3.8506 3.9755 3.834 3.9712 3.7925 3.8344 4.1814 4.0632 4.1989 4.6091 4.1133 3.2327 3.589 4.1265 4.432 3.5713 3.5964 3.9958 4.0083 4.2729 4.0125 3.7967 3.9388 4.8739 3.8607 4.1057 4.693 3.4046 4.2213 Trigonelline 4.9359 6.0684 6.361 5.3171 5.966 5.531 5.2743 6.5454 4.7743 5.3998 5.4467 5.803 4.7313 6.7546 5.4022 5.8023 6.2915 5.9119 5.5357 5.6189 5.1315 5.5754 6.1537 6.3355 5.7317 4.9916 5.2945 5.4131 5.0632 5.0207 5.2159 5.8517 4.9899 4.963 5.042 5.2538 5.5093 4.8838 5.5142 5.2327 4.7482 5.2495 4.7691 5.0882 4.5727 4.8813 5.728 4.7817 5.0226 4.6733 5.3142 5.3856 4.7366 5.7324 4.2879 5.6056 4.855 5.5042 5.0466 Trimethylamine 3.3454 3.7993 3.7966 3.4098 3.6184 3.8377 3.8706 3.6581 3.3923 3.5427 3.5247 3.6993 4.0574 3.6265 3.6463 3.491 3.6091 3.8099 3.563 3.5853 3.6393 3.9176 3.3871 3.4794 3.5544 3.3421 3.5422 3.8925 3.3694 3.417 3.9112 3.7522 3.7075 3.6253 3.3947 3.5783 3.8588 3.7654 3.3971 4.2982 3.8411 3.4403 3.2527 3.7037 3.5474 3.297 3.3517 3.4222 3.4049 3.9513 3.8563 3.2795 3.4559 4.1916 3.152 3.3223 3.4032 3.3377 3.7954 Tryptophan 5.8987 6.2931 6.26 6.5089 6.4061 6.1609 6.3515 6.3878 6.234 5.9292 6.3237 6.2882 6.5277 6.1211 6.5561 6.8011 6.6641 6.5443 6.3804 6.6492 6.5828 5.9411 7.0368 6.6217 6.6099 5.9002 6.0017 5.6831 5.945 6.2898 6.0006 6.1223 6.0517 6.1261 6.2416 6.2664 6.172 6.4364 6.1041 6.6188 6.0286 5.2988 5.9221 6.0837 5.8814 5.9168 5.8619 5.8152 5.251 5.9094 6.4578 6.4239 5.857 7.043 6.3191 5.7546 5.3473 6.2193 5.7027 Tyrosine 6.6391 5.9783 6.077 5.8106 5.8065 5.9973 6.2297 5.93 6.845 6.4056 5.7023 6.0377 6.5241 6.0898 6.0313 5.6692 5.9118 6.5704 6.0658 5.9207 6.0545 5.8813 6.7133 5.9917 6.4435 6.8069 6.4885 5.9247 5.6204 5.4421 6.1393 5.8877 5.7514 5.7623 5.9277 6.1318 6.2446 6.1705 5.6265 6.6193 5.611 5.6058 5.7174 5.9346 6.0295 6.4073 6.1785 5.5322 5.6809 6.0027 5.6217 6.0194 5.8758 7.27 5.7716 5.8621 5.2242 5.2027 6.1785 UDP-Glucose 4.443 3.3154 3.3759 4.6903 3.5327 3.5992 3.4765 3.6845 4.2645 4.1777 4.5166 4.7801 4.4523 3.4911 4.8643 5.212 4.922 4.3896 3.9012 4.108 3.7729 3.7421 3.1018 4.7882 3.7474 4.6972 5.1197 4.5811 4.708 5.34 4.0151 3.6692 3.5949 5.1457 5.3187 4.2786 3.722 3.7171 4.5899 3.7755 4.7141 3.6002 4.4766 5.2389 5.2967 4.1245 5.628 5.823 5.6995 3.647 5.806 4.9103 4.9822 4.6497 4.2908 4.9811 3.496 5.1271 4.1215 UDP-N-acetylglucosamine 4.2744 3.6738 3.5461 6.4718 3.7089 4.0982 3.8863 3.6776 5.0073 3.9531 5.9915 6.7238 4.626 3.7063 6.7451 6.7362 6.2035 4.6273 4.8948 5.3353 4.2097 3.2562 3.4773 5.4884 3.1783 6.0488 6.0731 5.3333 5.1934 6.4821 3.7034 3.5581 4.1278 5.8176 6.3433 4.3563 4.1251 4.4845 5.7913 4.0802 6.1487 3.5419 5.3001 5.6953 5.7122 4.2747 7.1365 7.4259 6.5588 4.0409 5.988 6.6469 5.5189 4.2466 3.5935 6.5243 3.347 6.37 3.9942 Undecanedionate 4.6977 4.2846 4.0065 4.0366 4.0432 3.9843 4.2332 3.93 4.096 4.1839 3.866 3.9426 5.0026 3.8115 4.0244 3.7549 3.8232 4.3833 3.8758 3.9953 4.0609 4.2567 4.2967 4.1343 4.2682 4.4932 4.6826 4.1466 3.8775 3.9002 4.3252 3.973 4.3113 4.2186 4.052 4.0369 4.4424 4.2157 3.9958 4.6592 3.9732 3.5805 3.4687 4.0661 4.2235 4.3663 3.779 3.9639 3.9374 4.463 3.9155 3.8213 4.0101 5.1789 3.9755 3.7835 4.0619 3.8921 4.2191 Uracil 4.372 5.3047 5.1914 5.2258 5.3961 4.6669 5.4562 5.108 4.6971 4.5837 5.0129 4.8807 5.3662 4.9551 4.8514 4.8214 4.6631 4.2701 5.3515 4.8965 4.6559 4.7055 4.7085 5.0462 4.8263 4.421 4.5251 4.6171 4.385 5.0908 4.8021 5.0738 4.5073 5.1384 4.3762 4.7469 4.3846 4.4421 4.3251 4.5474 4.8502 4.5965 4.0781 4.4449 4.1602 4.4273 3.8114 4.6878 4.8932 3.9285 4.171 4.6532 4.7027 4.542 5.142 4.0401 4.3222 5.1599 4.4623 Uracil 5-carboxylate 4.1671 3.6372 3.5807 3.6827 3.6924 3.788 3.8845 3.809 3.6762 3.8873 3.6526 3.656 4.2085 3.77 3.6611 3.5929 3.7076 4.0161 3.4725 3.6489 3.8674 3.624 3.4557 3.7916 3.686 3.8104 3.8289 3.8899 3.8684 3.2803 3.9552 3.8789 3.8704 3.6692 3.7223 3.5329 4.0569 3.8991 3.6968 4.3874 3.4372 3.5807 3.7475 3.683 3.7466 3.5327 3.2323 3.5332 3.3918 3.7552 3.7217 3.4352 3.802 4.4556 3.7162 3.6309 3.7214 3.5103 3.7139 Urate 7.5345 6.8342 6.9387 6.7336 6.9007 7.1524 7.0151 7.024 7.7557 7.7503 6.724 6.9844 7.4757 6.7139 6.9633 6.9677 7.029 7.426 6.8263 7.0071 7.0605 6.9048 6.7674 6.9785 6.9268 7.3988 7.3594 7.126 6.7979 6.4771 7.0286 6.9488 6.9255 6.8692 6.7522 6.9624 7.1402 7.3686 6.7994 7.5845 6.3979 6.4635 6.6961 7.0634 7.0234 7.3431 7.292 6.6198 6.9291 7.1608 7.1424 6.8507 6.8119 7.9549 6.7547 6.7453 6.4196 6.6603 7.2093 Ureidopropionate 3.5993 3.4037 3.5534 3.5495 3.6497 3.4644 3.5791 3.6568 3.5364 3.7146 3.4083 3.3997 3.774 3.3644 3.3105 3.5082 3.2859 3.6922 3.5842 3.6868 3.4946 3.6882 4.5935 3.5609 4.538 3.3006 3.7586 3.6446 3.4411 3.8361 3.7051 3.4144 3.5087 3.4969 3.7773 3.4793 3.7457 3.7327 3.4841 3.9814 3.2952 3.5597 3.4054 3.4017 3.5425 3.5004 3.4954 3.334 3.5826 3.8508 3.7059 3.5189 3.5084 4.003 3.1511 3.3297 3.2894 3.2733 3.8754 Uridine 5.4227 6.476 6.1128 6.168 5.9809 6.4224 6.1371 5.8795 6.1552 5.7726 6.0591 6.2296 6.7983 6.3703 5.5655 5.6478 6.2097 6.1122 6.3292 5.9664 5.2591 6.5615 6.8278 6.1997 6.3764 4.9812 6.5571 6.6118 5.5082 6.1377 6.0383 6.091 5.9224 6.1473 5.6923 6.3571 6.1039 5.9885 5.6718 6.1012 6.2421 5.7046 5.6736 5.8791 5.77 5.6076 6.0721 5.6174 5.5106 6.4212 6.6849 5.4157 5.8548 6.1763 5.6085 5.6704 6.1006 5.6641 6.3876 Uridine diphosphate 4.512 4.6388 3.9742 4.204 3.8719 4.4734 3.971 4.4173 4.5237 4.2722 4.1597 4.845 4.8471 3.9066 5.0278 4.7447 4.5869 4.5184 4.4051 4.5319 4.6686 4.173 3.6439 4.0061 3.7075 4.5586 4.8061 4.1243 4.4192 4.0238 4.4268 4.2802 4.8971 4.0636 4.9134 4.7021 4.8927 4.8162 4.2085 4.6518 4.2212 4.0051 3.7511 4.1141 4.5518 4.1555 5.4317 5.114 4.6764 4.9653 5.2873 4.4885 4.5618 4.6911 4.3782 4.56 3.9854 4.9454 4.3452 Uridine monophosphate 4.8052 5.3742 5.0073 5.183 4.6516 4.9917 4.996 4.9279 4.253 4.2443 4.9516 5.0038 5.6016 5.1227 5.1828 4.8083 4.738 5.5044 4.9199 5.4264 5.0547 5.4789 5.7483 5.3329 5.635 4.4215 5.1037 5.3571 4.416 3.6878 4.0788 4.9258 4.5138 4.2424 4.3433 5.0893 4.558 4.0681 4.4328 4.7233 4.1829 4.5972 3.9077 4.0607 4.93 4.043 3.5493 4.0548 3.9016 5.2403 4.8839 4.4175 4.3459 5.3357 3.882 4.0592 4.096 3.7864 5.6457 Urocanate 4.2522 4.4472 4.6938 4.189 4.2345 4.9642 4.4977 4.5054 3.988 4.295 3.9463 4.3693 4.7065 4.27 4.0813 4.1971 4.4085 4.7375 4.0163 4.3056 4.1878 4.5471 3.9009 4.4158 4.0466 3.9428 4.3119 4.3977 4.0716 3.8301 4.4853 4.515 4.2806 4.3132 4.0869 4.3619 4.7407 4.4275 4.1922 5.0334 3.7981 3.9411 4.4104 4.179 4.4106 3.8269 3.3203 3.7391 4.2282 4.0912 4.1306 3.6442 3.9808 5.2499 3.8622 3.8441 4.1186 3.57 4.0916 Ursocholate 3.2689 2.553 2.7549 2.4056 2.9484 2.4936 2.5057 2.5885 2.8245 2.8098 3.455 2.9295 3.3572 2.5895 2.816 3.161 2.5079 2.9002 2.5024 2.3922 2.4915 2.3988 2.4717 3.3861 2.7324 3.1284 2.5818 2.9422 2.4884 1.5901 2.7683 2.1398 2.7643 2.4693 2.41 2.8089 2.8416 2.4986 2.5113 3.4622 2.0246 2.6106 2.3262 2.7017 3.266 2.2702 1.9832 2.5109 2.6788 2.1961 2.5342 1.7937 2.1649 3.3088 1.981 2.399 2.432 1.9903 2.5991 Ursodeoxycholate 2.9298 1.5489 2.0339 1.731 2.3063 2.4362 2.3969 2.1976 2.3815 2.5398 2.2783 2.1047 3.7471 2.0847 2.1972 1.8612 2.1875 2.5343 1.2686 1.9763 2.263 1.7923 1.7562 3.0509 2.0377 2.7206 2.3301 3.2327 2.5717 1.7603 3.4221 2.0056 3.2452 2.8611 2.1316 1.9686 3.3941 2.9375 2.7559 2.8606 1.5205 2.246 2.9435 2.2322 3.5411 2.0346 1.9943 2.0058 3.1439 2.6693 2.899 1.5791 2.1837 3.0871 2.0132 2.2737 2.2797 3.1554 2.2858 Valine 4.1872 4.6896 4.5715 4.5543 4.6769 5.0442 4.9055 4.6653 4.5909 4.04 4.4947 4.5717 6.117 4.7175 4.571 4.2202 4.3362 5.1672 4.5299 4.6612 4.5881 4.6372 5.7356 4.4911 5.115 4.2466 5.1645 4.9202 4.3949 4.252 4.8128 4.6063 4.6566 4.6844 4.5506 4.5971 5.014 5.1139 4.5139 5.4495 4.2917 4.4752 4.6044 4.6157 4.8875 4.3005 4.0249 4.3219 4.7066 4.9324 4.6578 4.436 4.5119 5.691 4.5383 4.7143 4.2954 4.4528 4.6805 1-Aminocyclopropanecarboxylate 3.9339 3.8308 3.5358 3.7775 3.7621 3.8433 3.6733 3.7481 3.7922 3.6847 3.5608 3.6656 3.974 3.706 3.7064 3.6853 3.6267 3.7241 3.7265 3.8183 3.9826 3.6872 3.8891 3.6907 3.9133 3.754 3.7313 3.7544 3.7177 3.6681 3.8608 3.666 3.8027 3.8251 3.737 3.8778 3.7624 3.667 3.7049 3.9753 3.7262 4.0101 3.7947 3.7901 3.766 3.8371 3.9741 3.7611 4.0276 3.6524 3.8206 3.5689 3.8005 4.0379 3.6701 3.8151 3.9359 3.804 3.7806 1-Methylhistidine 4.3105 4.3533 4.4772 4.0805 4.2186 4.559 4.691 4.3717 4.2815 4.3118 4.5677 4.1685 4.4192 4.5894 4.1473 4.6659 4.3742 4.8505 4.2411 4.2409 4.328 4.3541 4.3225 4.9474 4.4245 4.3345 4.0311 4.0189 3.9616 4.0418 4.6833 4.3603 3.7108 4.0818 4.2172 4.5243 4.6159 4.3511 4.3936 4.7917 4.126 4.2462 4.4539 4.3624 3.8088 4.2044 4.1073 3.816 4.0811 4.2398 3.941 4.5027 3.7976 4.6333 4.1562 4.3689 3.9058 4.0925 4.2853 10-hydroxy-2-decenoic acid 3.6677 3.6317 3.1977 3.8321 3.3766 3.4008 3.2728 3.3759 3.0968 2.9299 3.376 3.2468 3.9849 3.3147 3.6727 3.2386 3.5372 3.3481 3.2463 3.3445 3.2447 3.4433 3.7619 3.1634 2.9273 3.5659 3.5783 3.0514 2.8262 3.0482 3.2341 2.9828 2.9951 3.0854 2.9987 2.8654 3.272 3.2162 2.9352 3.6394 3.1877 2.7515 2.6933 3.013 3.2556 2.9267 2.6531 3.0952 3.1016 3.2084 3.2993 2.908 2.9101 4.061 2.9308 2.8611 3.0445 2.6212 3.1827 10-Hydroxydecanoate 3.6861 3.6212 3.5552 3.5836 3.6885 3.3845 3.6201 3.7455 3.4915 3.071 3.625 3.576 4.754 3.465 3.535 3.4977 3.766 3.8595 3.2602 3.6999 3.643 3.6144 3.5222 3.5371 3.2623 3.5779 3.9009 3.4476 3.5426 3.1741 3.9188 3.5686 3.7213 3.7218 3.4411 3.6306 3.8288 3.6839 3.4483 4.081 3.3871 3.5853 2.9242 3.7187 3.4406 2.7263 3.0306 3.4352 3.4104 4.0889 3.516 3.3094 3.4434 4.6506 3.4739 3.1489 3.378 3.3715 3.5521 10-undecanoate 3.4613 3.6959 3.2496 3.1733 2.9034 2.9876 3.1129 3.2657 3.7021 3.0909 3.1616 3.6395 3.9557 2.8633 3.4311 3.2035 3.1493 3.4571 3.0627 3.3178 3.3399 3.6431 4.158 2.9672 3.5225 3.2598 4.0736 3.6825 3.1671 3.279 3.2827 3.1894 3.3308 3.2977 3.0872 3.0422 3.3846 3.4099 3.2574 3.6843 3.4714 2.5315 2.8879 3.4255 3.5062 3.1155 3.0628 3.1931 3.3382 3.7308 3.212 2.8023 3.2043 4.1648 2.983 3.3476 3.745 2.7737 3.4962 2',4'-Dihydroxyacetophenone 3.9294 3.565 3.4451 3.4939 3.7065 3.3048 3.4471 3.3018 2.9675 3.3507 3.0903 3.0428 4.0488 3.3544 3.1744 3.1101 3.2273 3.6559 3.1202 3.1325 3.5257 3.2999 3.7705 4.1731 2.9792 3.4293 3.4455 3.0615 3.183 3.0692 3.3454 3.4119 3.4167 3.2436 3.3114 3.2785 3.6812 3.4967 3.0474 3.8693 3.3615 3.0174 2.5084 3.2024 2.8694 3.1166 3.0266 2.8862 2.7114 3.426 2.8005 3.0156 3.1957 4.0113 3.009 2.6637 2.7838 3.3845 3.1827 2,3-Dihydroxybenzoate 3.852 4.4449 3.1656 3.2312 3.3842 3.4841 3.3556 3.299 3.2678 3.7853 3.2746 2.7782 3.9716 3.2356 3.2491 3.179 3.1823 3.5287 3.2891 3.1318 3.4541 3.2874 3.1913 3.1695 2.8559 3.6756 3.9339 2.9589 3.3477 3.093 3.0481 3.1228 2.8881 3.1374 3.5728 3.4613 3.3325 3.4585 2.8815 3.8371 3.2398 3.1954 2.6228 3.0886 2.8311 3.2518 2.9136 2.9562 2.4397 3.0422 2.9776 3.1027 2.8828 3.9194 3.3421 2.788 2.4835 3.5009 3.0436 2,4-Dihydroxypteridine 5.0138 3.137 3.1865 2.9425 3.2046 3.4031 3.3401 3.2616 4.039 4.8063 3.0162 3.2811 3.7971 3.2168 2.995 3.2965 3.281 3.4053 2.9765 3.3262 3.4855 3.1743 3.1954 3.1966 3.1778 5.0432 3.3531 3.1576 3.0228 2.6792 3.4991 3.3004 3.1899 2.9834 3.0771 3.2332 3.6005 3.3559 3.0837 3.8075 2.8736 3.0663 2.7391 3.1435 2.9656 4.6048 3.4983 2.8583 3.002 3.3327 2.9901 2.7762 2.9732 4.0368 3.0234 3.061 2.938 2.819 3.1575 2,5-Dihydroxybenzoate 3.812 4.5617 3.3862 3.2294 3.5136 3.4886 3.2721 3.14 3.4468 3.7471 3.7189 2.6579 3.8559 3.5025 3.1149 3.1572 3.6479 3.2069 3.4892 3.8593 3.312 3.0513 3.258 3.7459 2.6052 3.5308 3.4539 2.8801 2.9613 2.9888 2.8513 3.2148 2.8852 3.0389 3.5877 3.3324 3.1805 3.4463 2.5882 3.6482 2.8973 3.0939 2.5851 3.0719 2.6259 3.0881 2.7443 2.6017 2.3218 2.8964 2.8114 3.1301 2.6411 3.7897 3.0956 2.7341 2.6829 3.3023 2.9343 2-Aminooctanoate 3.0988 3.4618 3.824 3.6613 3.4885 3.0412 3.5452 3.5881 2.4384 3.4569 3.9051 3.1278 3.268 3.4195 3.318 2.572 3.4441 3.4827 3.5991 2.8688 2.3585 3.1726 3.511 3.4422 2.448 2.8466 2.9228 3.0824 3.0944 2.6378 2.8755 3.378 2.5197 3.0054 3.02 3.3537 3.2641 3.533 2.6537 3.6509 3.0436 2.5239 2.3799 3.4706 1.7087 2.4861 2.6773 2.7334 1.7068 3.0069 3.1532 3.3388 2.4894 3.8635 2.6461 1.8861 2.0829 3.0057 2.3402 2-Aminophenol 3.3467 2.8804 2.8673 2.5998 2.4463 2.9515 2.465 2.7451 2.8858 3.4057 2.6713 2.7351 3.2187 2.9945 2.4574 2.6909 3.0602 2.9244 2.8397 2.8562 2.9987 2.6722 2.8481 2.5827 2.3929 3.2182 2.8568 2.5915 2.8441 2.5308 2.5127 2.9175 2.7712 2.7603 2.7481 2.6556 2.8051 2.8008 2.4918 3.082 2.5673 2.5952 2.6042 2.6002 2.6175 3.0679 2.7016 2.4819 2.4098 2.7857 2.6906 2.671 2.3897 3.4427 2.6284 2.7492 2.6878 2.7525 2.7985 2-Ethyl-2-hydroxybutanoate 4.5515 4.0341 4.2095 4.5458 4.2443 4.2376 4.261 4.2573 4.1407 4.1013 4.328 3.9007 4.7753 4.0551 4.6193 4.2193 4.4419 4.3118 4.1846 4.5204 4.0359 3.8608 4.3038 4.235 3.8855 4.0461 3.4911 3.7636 3.9517 4.2425 3.736 3.8889 3.4056 4.0549 3.8859 3.9364 3.8962 4.3856 3.6291 4.4473 4.2049 4.3166 3.3096 4.1032 3.2203 3.7534 3.3078 3.7453 2.9285 3.7632 3.9037 4.1775 2.9486 4.6174 4.45 3.1793 3.3441 3.9585 3.3532 2-Hydroxy-4-(methylthio)butanoate 4.4578 3.7565 3.4899 3.482 3.3885 3.5922 3.2985 3.679 4.2562 4.5976 3.3126 3.5999 4.0526 3.4527 3.5917 3.6914 3.4789 4.0135 3.1773 3.9254 3.6323 3.3322 3.7271 3.7366 3.5186 3.7985 3.3583 3.3315 3.4728 2.9468 3.4236 3.1541 3.709 3.5062 3.6163 3.8693 3.7683 3.5816 3.2231 4.0386 3.42 3.0731 2.5728 3.4378 3.5039 3.5858 3.554 3.2541 2.9618 3.4139 3.774 3.4184 3.3947 4.9055 4.0489 2.9043 3.4681 3.659 3.9782 2-Hydroxybutyrate 6.3311 5.3123 5.7785 5.3454 5.1476 5.7823 5.6412 5.6961 6.167 6.051 5.4793 5.9978 6.2347 5.2302 5.8482 5.5233 5.6945 6.3729 5.6503 5.7399 5.527 5.7128 5.409 5.5877 5.359 6.6618 6.1885 6.0722 5.8779 5.3389 5.7283 5.6565 5.4986 5.7821 5.5946 5.9873 6.1461 6.3509 5.8662 6.1462 5.2231 5.3141 5.5373 6.1053 6.2655 6.3079 6.1319 5.6721 5.8043 6.3481 5.9734 5.7359 6.0151 6.9289 5.7714 5.9713 5.4374 5.8363 6.1958 2-Hydroxyglutarate 5.0522 4.6169 4.6774 4.9712 4.6477 4.7993 4.6059 4.8995 5.1217 4.4915 4.6248 4.8521 5.1478 4.7278 4.8699 5.2875 4.8866 5.8507 4.7101 4.9237 5.3517 5.0915 5.3058 4.9434 5.2279 5.6985 5.4002 5.4479 5.0969 5.5746 5.281 4.8503 5.547 5.5431 5.1846 5.6314 5.1973 5.5885 5.5209 5.9959 5.6057 5.3 5.442 5.1592 5.1984 4.5951 5.2631 5.6474 5.7194 5.767 5.2558 5.2875 5.2577 5.8424 5.451 5.1442 5.3069 5.7349 5.4593 2-Hydroxyhexadecanoate 3.6403 3.7599 3.6932 3.2547 3.4609 3.8633 3.6398 3.5367 3.7626 3.1646 3.4495 3.8546 4.4076 3.4587 3.7072 3.3361 3.4941 3.9022 3.4452 3.7127 3.6697 3.6919 3.9907 3.5284 3.9705 3.401 4.4583 4.578 3.5249 3.316 4.017 3.5921 3.734 3.7978 3.5117 3.6466 4.2099 3.7681 3.6766 4.1579 3.4052 3.4916 3.9957 3.6887 4.0013 2.8578 3.4914 3.5635 4.123 4.5679 4.2043 3.2143 3.6886 4.927 3.4113 4.2578 4.3809 3.3829 4.2937 2-Hydroxypyridine 3.6132 3.4546 3.6083 3.2255 3.5996 3.6981 3.7244 3.4282 3.3864 3.9313 3.3017 3.3021 4.1559 3.519 3.3261 3.5409 3.5746 3.8275 3.2249 3.4643 3.8851 3.556 3.216 3.527 3.4186 3.4878 4.4183 3.5821 3.4677 3.292 3.7123 3.5196 3.5944 3.5026 3.5104 3.466 3.7087 3.6096 3.3047 4.1452 3.3617 3.383 4.3316 3.5129 3.4742 3.3741 3.4901 3.3244 3.4526 3.788 3.7088 3.4529 3.5138 4.3327 3.3139 3.2975 3.3766 3.1183 3.4195 2-Hydroxytetradecanoate 3.2825 2.8328 3.0768 2.6856 2.9499 3.0462 3.0345 2.9796 2.147 2.6069 2.7812 3.1017 3.9732 2.9057 2.7997 2.9269 2.8907 3.2071 2.8027 2.8347 3.1583 3.0926 3.1957 2.9089 3.1146 2.4898 3.926 3.7652 2.9701 2.7388 3.4282 2.9964 3.1787 3.0254 2.8693 3.0252 3.4347 3.4018 3.0456 3.5279 2.7719 2.7968 3.4165 2.7925 3.6389 2.4845 2.6478 2.8319 3.525 3.714 3.3958 2.5754 3.0489 3.8279 3.0741 3.4395 3.3252 2.769 3.6751 2-Isopropylmalate 6.6504 4.1557 4.3757 4.1009 3.8654 3.3462 3.6086 4.5303 3.732 3.7833 4.1272 4.3347 4.1375 3.7865 4.2355 4.9559 3.5878 3.5681 3.9867 4.2685 5.0603 4.7712 4.1347 4.0168 3.7549 6.6681 3.9834 3.6727 3.3728 2.9337 3.6764 4.3133 3.5296 3.6911 3.0387 3.3516 3.5937 3.4001 3.4538 4.1243 2.9487 2.9747 3.2282 3.2565 3.5749 3.3032 3.1166 3.0935 3.1162 4.0599 3.4097 3.2574 3.4129 4.7606 3.2694 5.0367 3.2812 3.2249 3.5142 2-Ketohexanoic 4.0304 3.8331 3.8613 3.7802 3.9168 4.0559 3.9392 3.9326 3.55 4.0661 3.713 3.8865 4.5258 3.9235 4.0172 3.9802 3.7454 4.1907 3.7912 3.9752 4.2332 3.8424 3.9799 3.9101 3.4924 3.7049 3.788 3.5882 3.8285 3.6934 4.2002 3.925 3.9153 3.6038 3.7537 3.907 4.2907 4.2664 3.6203 4.5076 3.7785 3.4809 3.3666 3.8901 3.5006 3.5115 4.0288 3.5479 2.9578 3.9826 3.5909 3.5616 3.411 4.6087 3.7246 3.3813 3.493 3.7652 3.5172 2-Octenoylcarnitine 4.242 4.9049 4.848 5.4403 5.3318 4.6712 4.7985 5.1007 4.4642 5.7936 5.2499 4.999 4.5827 5.8777 4.9552 5.1563 5.2266 4.8482 5.3431 4.838 5.9131 5.2647 5.179 4.7018 4.1586 4.0676 4.7376 3.9584 6.0947 5.6599 4.151 5.2763 4.2294 5.9869 6.1115 4.5079 5.2323 5.8605 5.8131 4.857 7.179 6.3185 3.9422 6.1133 4.3866 5.322 6.1924 5.5607 4.7168 4.183 4.4407 4.691 5.1489 5.3619 6.029 3.3827 5.4228 5.7622 4.3713 2-Propenoate 3.5619 2.4289 2.675 2.4615 2.542 2.6558 2.6192 2.509 2.8245 3.1801 2.4945 2.6277 3.3939 2.5163 2.4431 2.5795 2.6325 2.8193 2.9126 2.5954 3.0602 2.3585 2.4472 2.5419 2.4574 3.0796 2.8266 2.7263 2.0016 2.3847 2.6656 2.6861 2.4817 2.208 2.6349 2.4727 2.5881 2.3518 2.5647 2.992 2.394 2.5165 2.2981 2.1304 2.6001 2.8677 2.4362 2.6682 2.6241 2.6773 2.4067 2.4895 2.5434 2.9355 2.4495 2.4864 2.4989 2.3552 2.7049 2-Quinolinecarboxylate 2.8023 2.8442 3.2098 2.6286 2.7807 3.0012 3.0316 3.0425 2.983 3.057 2.7134 2.7136 3.0701 2.6202 2.8714 3.112 3.0001 3.1467 2.8178 3.0288 3.6343 2.9391 3.9912 3.2141 2.535 2.4845 2.6161 2.5662 2.3796 2.6125 2.5483 3.2072 2.3776 2.309 2.4379 2.7543 2.3416 3.1453 2.348 3.326 2.5737 2.4016 1.9854 2.639 1.9297 2.2839 2.4093 1.9236 1.681 2.4768 2.7589 2.5382 2.4032 3.5508 2.4664 1.6658 1.7978 2.491 2.2146 3-(2-Hydroxyphenyl)propanoate 4.018 4.1334 4.3903 4.1754 4.505 4.0279 4.0321 4.2522 4.6475 3.727 4.2775 4.1852 4.8338 4.7352 4.4716 4.1312 4.1124 5.4063 4.2088 4.6614 4.5767 3.6634 3.8984 4.0254 3.7803 4.0162 4.2317 3.5198 3.9062 4.0028 3.7253 4.2936 4.1573 4.0314 4.478 5.2101 4.2375 4.4816 3.7503 5.353 4.2459 3.8133 3.2661 4.1008 4.2585 3.722 4.2779 4.2952 3.7231 3.7207 3.4927 4.5621 4.2515 6.2937 4.8181 3.2478 3.4167 4.3371 4.3747 3-(3,4,5-Trimethoxyphenyl)propionate 4.4564 3.5001 3.6198 3.5394 3.6407 3.5273 3.6593 3.4162 3.7813 3.7628 3.7554 3.662 4.3831 3.3951 3.7428 3.9701 3.7722 3.8488 3.2491 3.7227 3.6695 3.7455 4.1546 3.6192 3.3206 4.1492 3.9413 3.535 3.3528 3.2346 3.4959 3.4336 3.4366 3.4196 3.2815 3.4295 4.0038 3.7499 3.5015 4.0787 3.228 3.3741 3.1463 3.6033 3.807 3.5864 3.3009 3.374 3.2766 3.6669 3.555 3.29 3.4627 4.319 3.2756 3.3482 3.4249 3.19 3.6663 3-(4-Hydroxyphenyl)pyruvate 4.782 4.4616 4.3597 4.5623 4.6534 4.5302 4.6261 4.2528 4.2558 4.5764 4.3446 4.4967 5.5773 4.5489 4.5775 4.9679 4.6299 6.0996 4.3701 4.8354 4.8027 4.1503 4.3248 4.6725 4.0166 4.3891 4.5956 3.6409 4.3439 4.1004 4.592 4.4055 4.6355 4.1981 4.7948 5.6991 5.0275 4.9465 4.3554 5.5945 4.0886 4.5148 4.6992 4.501 4.5392 3.9191 4.4303 4.6177 4.0667 4.4785 3.7997 4.5932 4.3658 5.9605 4.0238 4.1012 4.0446 4.5542 4.6302 3,3-Dimethylglutarate 4.2655 4.5348 4.6639 4.5061 4.6014 4.2681 4.3905 4.7348 4.7618 4.2049 4.6993 4.4933 5.1959 4.7041 4.5234 4.8918 4.5013 4.4863 4.3486 4.6038 4.9725 4.6966 4.8686 4.6968 4.0392 3.8942 4.0053 4.0248 4.0061 4.0642 4.2404 4.52 3.7744 3.9697 4.0842 4.1861 4.3266 4.4471 3.7534 4.672 4.0627 3.9257 3.4514 4.2196 3.5192 3.5258 3.3448 3.7221 2.9604 4.2351 3.8784 4.115 3.5482 5.0615 4.7245 3.4072 3.5453 3.9898 3.6727 3,4,5-Trimethoxycinnamate 4.6462 3.5614 3.5223 3.7329 3.8728 3.9033 3.9963 3.7176 3.5774 4.1881 3.5756 3.4293 4.6157 3.7435 3.4648 3.3315 3.3604 3.8235 3.4369 3.5701 3.7307 3.7442 3.4074 3.5128 3.3408 4.2493 3.7423 3.6094 3.4652 3.5361 4.0019 3.6981 3.9049 3.5318 3.737 3.7899 4.2118 3.9184 3.7043 4.4568 3.5443 3.628 3.2152 3.5446 3.7809 3.96 3.3515 3.4422 3.4382 3.8948 3.4119 3.3973 3.7357 4.4655 3.6121 3.4123 3.5754 3.5063 3.715 3,4-Dihydroxybenzoate 4.4203 3.6754 3.7736 3.4675 3.778 3.7369 3.6454 3.6289 3.8724 4.153 3.3459 3.486 4.3821 3.5854 3.7658 4.2723 4.0293 3.8578 3.6527 3.9694 4.8221 3.6814 3.4835 3.9701 3.1193 4.1519 3.4084 3.2897 3.4454 3.382 3.66 3.6096 3.6039 3.2592 3.324 3.637 3.7663 3.7951 3.2532 3.9322 3.2868 3.1687 3.2575 3.4704 3.0722 3.7323 3.6954 2.9019 2.8571 3.5843 3.439 3.4009 3.3873 4.4534 3.4046 3.1717 3.2013 3.3343 3.2388 3,4-Dihydroxyphenylacetate 4.2945 3.4562 3.664 3.6602 3.7802 3.5862 3.7942 3.7689 3.6168 4.0307 3.622 3.5306 4.2242 3.7975 3.4644 3.8778 3.7474 3.4913 3.5162 3.7353 5.5818 3.5471 3.3786 3.6972 3.0576 3.9448 3.2575 3.1415 3.0806 3.2026 3.604 3.4836 3.359 3.3442 3.4865 3.6054 3.7585 3.5247 3.1829 4.0031 3.464 3.0335 2.9854 3.43 3.0683 3.8058 3.0757 2.8584 2.7986 3.2812 3.1993 3.345 3.0415 4.2024 3.7119 3.2149 3.0974 3.0538 3.1261 3,4-Dihydroxyphenylglycol 3.8452 2.8363 3.0117 3.2996 2.7951 2.9523 2.9189 3.1042 3.3304 3.7278 2.7131 2.7249 3.5924 2.9036 3.1473 3.1089 3.5732 2.9375 3.2549 3.3274 3.2119 2.9686 3.1067 3.0597 3.1918 3.7105 3.1819 2.8273 2.3577 2.3544 3.1442 3.432 3.0078 2.6941 2.7841 3.132 3.0932 3.2854 2.8616 3.158 2.2568 2.5219 3.1072 2.4557 2.8059 3.7854 2.8802 2.4617 2.7082 3.1954 2.7247 2.6792 2.9032 3.708 2.4551 2.8622 2.964 2.4655 2.9506 3-Dehydroshikimate 4.8932 3.9175 4.4513 4.0989 4.1059 4.5394 4.5415 4.1231 4.872 5.5321 3.7687 4.3137 5.0627 4.2781 4.1562 3.9795 3.9258 4.8339 4.0584 4.575 4.6887 4.6982 3.5874 4.1616 3.9352 4.8755 4.4161 4.6497 4.2877 3.7999 4.6232 4.0783 3.8386 4.3451 4.2166 4.4785 5.1503 4.6056 3.955 5.5043 3.6895 3.8984 3.8521 4.6569 4.4143 4.3212 3.7921 3.7045 3.7544 5.0079 4.0552 3.9376 4.107 5.8622 4.5069 4.2987 4.7617 3.5802 4.7182 3-Hydroxyanthranilate 4.2483 3.2559 3.1242 3.2773 3.2715 3.043 3.0388 3.1514 3.1155 3.9567 3.0622 3.1542 3.7049 2.9297 3.3242 3.992 3.372 3.2205 3.0515 3.3165 3.5594 3.2788 3.1762 3.206 2.8272 3.9729 3.1825 2.756 3.0338 2.9575 3.2621 3.4505 3.178 3.0126 4.0153 4.0544 3.496 3.1592 3.0119 3.3133 2.8051 2.6149 2.9212 2.8973 2.893 3.3576 3.2553 2.8308 2.6295 3.3366 3.2294 3.7133 3.1361 4.0172 3.2914 2.8704 2.9653 3.2031 2.96 3-Hydroxybenzaldehyde 4.507 3.6813 3.7857 3.578 3.6828 3.6324 3.6587 3.5714 3.9926 5.1739 3.4164 3.6033 4.2635 3.9503 4.1348 3.9745 3.6157 3.6144 3.6818 4.2509 4.2481 3.3274 3.3369 3.4964 3.1721 4.2772 3.71 3.4077 3.2848 3.2077 3.7202 3.9462 3.6556 3.3192 3.3235 4.0275 3.9719 3.695 3.1253 4.0406 3.2043 3.0939 3.218 3.4126 3.3194 3.7428 3.6492 3.2596 3.0188 4.3924 3.3629 3.3301 3.4306 4.6534 3.3841 3.3057 3.1857 3.1306 3.2811 3-Hydroxybenzenemethanol 3.1216 3.01 3.4762 3.083 3.5089 3.4103 3.5512 3.3843 2.8263 3.5829 3.1361 2.8496 4.2144 3.4233 2.9444 3.156 3.6026 3.693 3.1304 3.2071 3.523 3.0335 2.8247 3.3503 2.4031 2.3483 2.745 2.5572 3.2642 3.264 3.5924 3.4174 3.0392 2.7573 2.977 3.4062 3.7349 3.6462 2.8238 4.1582 3.0567 2.8949 2.3433 3.5032 1.6453 2.4476 2.9901 2.3257 1.6243 3.27 3.1072 3.2494 2.6372 4.0951 3.2488 2.1843 2.2179 3.1069 2.0987 3-Hydroxydodecanoylcarnitine 4.5082 3.6619 3.6701 4.1812 4.2117 4.3056 3.3085 3.9815 4.4869 4.8773 3.9584 4.0465 3.6155 3.7406 4.4093 4.6743 4.3829 3.9725 3.934 4.4624 4.1437 4.633 4.4342 4.0916 4.1772 4.1849 3.4818 4.2332 4.18 4.3726 4.2094 4.025 3.9722 4.6088 3.873 4.2484 3.908 4.7498 4.7578 3.936 5.193 5.8616 3.78 4.8248 4.024 5.003 5.1044 5.2864 4.4774 3.7433 4.5888 4.3207 4.2577 4.6549 4.1114 4.1566 5.2457 4.1211 4.6583 3-Hydroxyhexadecanoylcarnitine 4.3011 2.8532 2.9068 3.117 2.9925 3.7246 2.6768 3.2178 4.0446 4.0684 3.3429 3.9774 3.5065 2.8229 4.1175 3.5757 3.3364 3.17 2.9168 3.9035 3.6494 3.6776 4.6195 2.9096 3.7487 5.2256 3.5938 4.5238 3.5508 3.2979 3.1896 3.257 3.0172 3.5578 2.8421 2.6042 2.9447 4.1879 4.6824 3.1191 3.4008 4.5499 4.3838 3.1295 4.1433 4.7418 4.1491 4.7018 5.1783 3.2716 4.1498 3.3289 3.2264 3.8325 3.0783 4.7769 5.5974 2.9436 3.9252 3-Hydroxymethylglutarate 5.1088 4.4763 4.5281 4.4967 4.3668 4.2639 4.2071 4.7983 5.4857 4.8137 4.4629 5.1694 4.7626 4.2816 4.8552 5.2062 4.7756 4.5386 4.6522 4.8139 5.3736 5.1258 5.1479 4.6238 5.0183 5.6019 4.8915 4.6931 4.3963 4.363 4.1691 4.4861 4.846 4.3176 4.6954 4.7287 4.3367 5.2351 4.678 4.8103 4.5635 4.5355 4.2457 4.4256 4.3838 5.2225 5.5626 4.7313 4.8142 4.7671 4.7455 4.5331 4.7587 4.9377 4.9875 4.8097 4.804 4.8981 4.9432 3-Hydroxyoctanoate 4.0451 4.3321 4.4547 4.5864 4.3419 4.4375 4.3341 4.6109 4.2831 3.6236 4.3769 4.5863 5.2285 4.1563 5.7703 4.7273 4.7974 4.7973 4.2667 5.3763 5.2177 4.1371 4.8181 4.9005 4.0714 3.9744 4.3197 4.0782 4.2982 4.5141 4.4498 4.1856 4.368 4.5282 3.9702 4.4219 4.5274 4.7061 4.5697 4.9429 4.5139 5.0692 3.6286 4.368 4.255 4.7438 4.278 5.1998 4.1905 4.3182 4.4653 4.4567 4.2399 5.2111 4.5992 3.5502 4.4482 4.3178 4.4789 3-Hydroxypyruvate 4.5593 3.9479 4.0876 4.0171 4.0645 4.2338 4.6179 4.0218 3.7864 4.3861 3.8367 3.8252 4.4625 3.9773 3.9566 3.9991 3.9944 3.9696 4.1488 4.0222 4.2061 4.1281 4.0596 4.0757 4.0343 4.2657 4.2846 3.9395 3.9289 4.1703 4.2485 4.1107 4.3336 4.0038 4.3351 4.3071 4.2519 4.1748 4.081 4.2277 3.9493 4.093 4.0665 3.7897 3.8959 4.0314 3.7771 3.9021 3.8284 4.4953 3.7368 3.8566 4.0461 4.3714 4.1056 4.1989 4.2324 4.1887 4.2095 3-Hydroxysebacate 3.7842 3.7542 4.4631 4.0166 3.8276 3.7039 3.9502 4.3538 4.5114 4.1782 4.2332 4.2888 4.3698 4.4082 4.653 4.7641 4.0843 3.7519 3.8188 4.7115 5.2632 4.8255 5.2894 4.2316 4.1352 3.3445 3.4 3.4654 3.6815 3.46 3.2494 3.7937 2.9701 3.4669 3.5591 3.6246 3.5238 3.8673 3.0743 4.2929 3.9232 3.7945 3.0485 3.7046 3.2637 3.0329 2.6797 3.3747 2.5823 4.2365 3.1978 3.4951 2.9878 4.4004 3.4625 3.2634 3.2505 3.1507 3.4954 3-Methoxy-4-hydroxymandelate 5.6093 4.0323 4.5396 4.2912 4.122 3.6413 4.0471 4.6158 4.4817 5.1836 4.2672 4.6056 3.9895 4.2251 4.5052 5.1176 4.5222 3.8779 3.9817 4.7915 5.789 4.5153 5.04 4.7636 4.4251 5.4978 4.0264 3.63 3.3937 3.5191 3.519 4.6349 3.524 3.571 3.5859 3.388 3.4749 3.7137 3.5509 4.0052 3.3502 3.461 3.5273 3.6699 3.8032 4.9614 4.4125 3.5058 3.4642 3.7049 3.8129 3.8616 3.4575 4.2914 3.5753 4.0954 3.5141 3.3106 3.5706 3-Methoxytyrosine 3.7151 3.0324 3.2946 3.3718 3.3523 3.5588 3.3894 3.3542 3.7688 5.6816 3.4447 3.4444 3.8765 3.3713 3.5373 3.9068 3.7963 5.9436 3.1455 3.7062 3.0146 3.3382 3.1933 3.41 3.3829 3.7546 3.694 3.5158 3.5228 3.1627 3.5889 3.2649 3.5254 3.4679 3.5808 3.4888 3.8252 3.6973 3.6561 4.6246 3.5884 5.5283 3.7844 3.6404 3.704 3.3776 3.8802 3.5158 3.4569 4.0215 4.027 5.6122 3.4373 4.6656 3.4361 3.8028 3.4696 3.3305 3.8178 3-Methyl-2-oxovalerate 4.3708 3.5767 4.038 3.8634 3.6142 4.1351 4.0301 3.7141 3.5727 3.8361 3.7024 4.2114 5.0534 3.9409 3.8971 3.9587 3.9609 6.0932 4.0686 3.9186 3.9954 3.8831 3.8332 4.2148 3.4943 4.4149 4.3818 4.5561 3.9696 4.0909 4.6325 4.0845 4.4229 4.2873 4.1148 5.2531 5.0764 5.5335 4.6055 6.0194 3.9328 3.7421 4.5437 4.8796 4.9225 3.9866 4.0952 3.7807 3.8269 4.9083 4.7787 4.0185 4.3727 6.6999 3.6111 4.0571 3.8334 4.1344 4.4344 3-Methyladenine 4.8621 4.5041 4.8045 4.1545 4.4107 4.5196 4.8343 4.613 4.2422 4.0646 4.0675 4.4264 4.8542 4.2561 4.2138 4.9206 4.6522 4.634 4.1973 4.6727 5.5703 4.6564 4.5322 4.8515 4.3004 4.8106 4.0933 4.2296 3.9774 4.0376 4.5026 4.8296 4.0887 4.2561 4.2076 4.3716 4.5723 4.1337 3.8518 5.0448 4.3634 3.6401 4.0677 4.0104 4.1852 4.1387 3.9644 3.7923 3.8237 4.2768 4.4387 4.287 4.0357 4.9613 3.8845 4.0206 3.7437 3.6781 4.3246 3-Methylglutarylcarnitine 4.31 3.8521 3.5838 3.0637 3.8151 3.1616 3.4106 3.7196 3.2031 3.5455 3.1918 3.398 3.7345 3.9459 3.301 3.143 3.5349 3.3829 3.6183 3.3303 3.4909 3.7459 3.7527 4.036 3.3059 5.0625 3.4985 3.1292 5.0204 3.4991 3.6042 3.3258 3.4962 3.5102 3.6164 3.0149 4.2572 3.5328 3.4576 3.7538 4.0387 3.5825 3.4565 4.0737 2.9768 3.5573 3.4709 4.0956 3.6491 3.6056 3.5858 2.8864 3.3252 3.8527 3.4202 2.9673 3.4612 3.6657 3.086 3-Methylhistamine 3.8573 3.2521 3.2078 3.2919 3.654 4.6115 3.7324 3.2577 3.0188 3.2067 3.1814 2.9195 4.6989 3.5218 3.4846 3.3097 3.0602 3.6075 2.7308 3.5212 3.1793 3.6603 2.7962 3.6294 3.1947 3.0327 3.3449 3.5472 4.0453 2.6412 4.447 3.8505 4.3529 3.5478 3.0277 3.6542 3.6232 3.8256 3.9444 3.4114 3.2609 3.7013 4.0947 4.0642 3.6503 3.2614 3.4788 3.4331 2.9314 3.9916 3.6924 3.6629 2.8807 3.2707 2.6968 3.5474 3.7457 2.8691 3.1222 3-Nitrotyrosine 3.9185 2.4304 2.7432 2.6494 2.6264 2.7777 2.772 2.8536 3.608 3.7619 2.456 2.7957 3.5236 2.9894 2.8319 2.6681 2.5556 2.9084 2.7569 2.58 3.0382 2.8397 2.6517 2.5578 2.6149 3.4362 2.7502 2.4491 2.5198 2.601 2.986 2.8117 3.0763 2.6115 2.8785 2.6536 3.1157 2.9991 2.6121 3.5484 2.625 2.6474 2.6174 2.63 2.6747 3.1584 2.8423 2.3392 2.3171 2.953 2.5234 2.4905 2.7018 3.4165 2.9106 2.9622 2.6545 2.5557 2.7658 3-Sulfinoalanine 4.7583 3.9774 3.9919 4.1385 4.2177 4.7954 4.127 4.1981 3.814 4.7732 3.9444 4.4504 4.803 4.091 4.1022 4.222 4.3497 4.7358 4.14 4.4017 4.1702 4.2939 4.2008 4.458 4.6855 4.6707 4.7253 4.0465 4.2657 4.3279 4.6225 4.1391 4.696 4.2723 4.6007 5.3019 4.5733 4.5555 4.4967 4.6805 4.2644 4.6017 4.4639 4.1756 4.8245 4.0636 4.5435 4.1771 4.5418 4.8996 4.1467 4.1939 4.7513 5.084 4.2798 4.6751 5.0335 4.3428 5.3748 4-Acetamidobutanoate 3.9059 4.1372 4.6177 3.9467 4.2547 3.8941 4.1586 4.6323 4.4547 3.9924 4.1485 4.3548 4.477 4.1822 4.4229 5.0733 4.3793 4.4314 4.1133 4.5709 4.9989 4.513 4.4209 4.5958 4.0084 4.1608 4.0712 3.7452 3.5784 3.3035 4.1847 4.4781 3.9042 3.8482 3.823 3.7171 3.9666 4.0703 3.8992 4.5319 3.5324 3.7912 3.6536 3.758 3.9378 3.1949 3.4379 3.7046 3.8673 3.9017 3.7979 4.0949 3.6475 4.8839 3.8786 4.1777 3.9501 3.4773 3.8848 4-Acetylbutyrate 3.8961 3.7296 3.9893 3.717 3.676 3.714 3.7771 3.791 3.2558 3.7965 3.7192 3.8214 4.4113 3.7229 3.9631 3.9827 3.7035 3.9391 3.6414 3.9451 4.286 3.7394 3.8965 3.9172 3.455 3.5761 3.7205 3.4904 3.6465 3.5098 3.9475 4.145 3.6679 3.5293 3.4177 3.5758 3.9548 3.8477 3.3998 4.1729 3.611 3.3631 3.3955 3.6555 3.6953 3.3022 3.7232 3.5178 3.1016 3.8617 3.417 3.3324 3.3163 4.4799 3.4482 3.3546 3.4122 3.6441 3.4021 4-Coumarate 4.5518 3.4706 3.4466 3.3919 3.2195 3.292 3.3842 3.5251 3.4789 3.8414 3.5207 3.1098 3.9875 3.5966 3.4015 3.4242 3.4002 4.4908 3.2318 3.5006 3.464 3.1483 3.2687 3.364 2.8735 4.148 3.2575 2.8956 3.0736 2.975 3.2686 3.198 3.2357 3.0493 3.6986 4.5252 3.3989 3.5672 3.0401 3.7824 2.999 3.0073 2.9289 3.285 3.1291 3.9046 3.2202 3.0462 2.8397 3.221 2.7061 3.5892 3.1718 4.3683 3.2385 3.0586 2.8758 3.1811 3.0722 4-Guanidinobutanoate 3.8945 3.6398 3.7877 3.5743 3.8639 3.6469 3.8459 3.7528 3.8844 4.5075 3.7111 3.6153 3.9043 3.4759 3.9346 3.7761 3.9033 3.541 3.7844 3.7865 3.6416 3.7053 3.2491 3.637 3.4483 4.4386 3.5077 4.0155 4.2646 3.6015 4.1231 3.7859 3.6285 3.7917 3.8164 3.4527 3.5082 4.0339 4.0212 4.9347 4.0848 3.6495 3.5615 4.1762 3.737 3.8362 4.1144 3.278 4.2104 3.6348 4.0816 3.0744 3.9956 3.9676 3.3388 3.9884 3.4668 3.9259 3.3078 4-Hydroxybenzaldehyde 4.7576 4.3188 4.3194 4.543 4.6354 4.5078 4.6016 4.2229 4.2269 4.5542 4.3298 4.4892 5.5666 4.5359 4.5667 4.9472 4.6195 6.0984 4.3455 4.8231 4.7699 4.1223 4.3003 4.6584 3.9983 4.3625 4.5646 3.6106 4.3275 4.0794 4.5694 4.3917 4.6172 4.1837 4.7868 5.6975 5.021 4.9369 4.3477 5.589 4.0696 4.4965 4.6936 4.4817 4.5275 3.8879 4.4132 4.6009 4.0572 4.4601 3.7847 4.5803 4.355 5.9556 3.9932 4.0932 4.0315 4.5453 4.6213 4-Hydroxybenzoate 4.3259 4.6433 4.3638 4.2256 4.2892 4.2403 4.3438 4.1958 3.8583 4.4066 4.0854 3.8858 4.8984 4.2845 4.0544 4.4071 4.2838 4.6667 3.97 4.4076 4.441 3.9712 4.2244 4.3195 3.8595 3.9629 4.0665 3.7504 3.7728 3.9412 4.1234 4.1518 3.8875 3.6874 4.2042 4.9731 4.2161 4.3883 3.5593 4.6418 3.871 3.7523 3.754 4.1045 3.3371 3.6869 3.7366 3.4199 3.0521 3.8844 3.692 4.3441 3.5545 4.8132 4.0173 3.3131 3.4691 4.0251 3.4791 4-Hydroxyphenyl-2-propionate 4.052 4.1257 4.39 4.1754 4.5039 4.0317 4.0314 4.2536 4.6468 3.6746 4.2774 4.1839 4.8132 4.7344 4.4704 4.1329 4.1149 5.4062 4.206 4.6615 4.5726 3.6362 3.8842 4.0216 3.7796 3.9802 4.2262 3.5114 3.9077 4.0007 3.7166 4.2949 4.1358 4.0228 4.4772 5.2098 4.2343 4.4809 3.7452 5.3501 4.2456 3.8117 3.2806 4.0998 4.2557 3.7085 4.2771 4.2951 3.7239 3.7225 3.4863 4.5616 4.2467 6.2936 4.8179 3.2368 3.4024 4.337 4.3748 4-Hydroxyphenylglycine 4.1789 4.0444 3.8684 4.269 3.6257 4.206 3.9129 4.1311 3.6924 3.786 4.0477 3.6127 3.7653 3.6652 3.9474 3.911 3.5805 3.241 4.0582 3.6843 4.2157 4.0177 5.0077 3.4624 4.6787 4.1482 3.9955 4.111 4.0169 4.4899 3.8307 3.6645 4.3643 4.1847 5.1267 4.2383 3.7191 3.6236 4.0373 3.8441 4.1976 4.6213 4.1579 3.6344 3.8306 3.6351 4.0163 4.6555 4.1139 3.8384 3.7947 4.4637 3.9804 3.9111 4.7305 4.2145 4.3176 4.5941 3.9944 4-Imidazoleacetate 2.9556 3.1547 3.4756 3.4227 2.8294 3.1627 3.2553 3.3285 2.9825 3.1428 3.5851 3.0688 3.5206 3.4126 3.5468 3.33 3.2864 3.1498 2.8158 3.2865 3.1524 3.3119 3.4896 3.4837 3.404 3.1791 3.0118 3.4931 3.2594 3.0155 3.4828 3.2494 3.2678 3.1066 3.0151 2.9609 3.2299 3.0852 2.857 3.3415 2.9558 2.7733 3.7284 3.0812 2.7566 3.2269 3.1335 2.8983 3.0407 3.3425 3.4958 2.6854 2.9955 3.4204 2.8423 3.7786 2.8001 2.7913 3.059 4-Methoxybenzeneacetate 4.2436 3.0739 3.1216 3.1827 3.0225 3.1794 3.1652 3.0365 3.3355 3.8303 3.1241 2.9948 3.8801 3.0864 3.1974 2.8999 3.0883 3.2281 3.0044 3.0185 3.0847 3.0066 2.7637 2.8067 2.8314 4.0449 3.5361 2.9135 2.8976 3.1531 3.1573 2.8464 3.0529 2.9313 2.9042 3.0758 3.7537 3.2582 2.7168 3.6884 2.8496 2.7148 2.8881 2.9462 2.9074 3.5491 3.4408 2.9117 2.6333 3.188 2.8418 2.768 2.9765 4.0004 2.8401 2.9268 2.6803 2.866 3.0386 4-Methylcatechol 4.8148 2.5052 2.7338 2.6774 2.7862 2.8808 2.8573 2.6567 3.6769 4.0816 2.6382 2.6711 3.7038 2.9634 2.7083 3.2553 3.1064 3.2627 2.594 2.863 3.5101 2.8917 2.8919 2.7314 2.5121 4.5633 3.0345 2.6479 2.4847 2.4265 2.7475 2.7748 2.7391 2.8172 2.8202 3.1576 3.0182 2.9397 2.7388 3.192 2.3713 2.4636 2.7762 2.7547 2.6673 4.1554 3.3302 2.4946 2.5948 2.9867 2.4853 2.7154 2.5579 3.477 2.5248 2.7148 2.591 2.4998 2.6659 4-Pyridoxate 4.5091 5.325 5.7958 5.0838 4.8848 4.5572 4.6239 5.6922 4.6969 4.649 4.8844 5.9557 4.4594 5.246 5.0542 6.1613 5.5026 4.77 5.0056 5.2982 6.1733 5.2067 4.9533 5.6534 4.8877 4.9302 4.8499 5.0078 3.7493 4.1732 4.4026 5.5212 4.1099 4.3997 4.0448 4.2582 4.3065 4.1997 4.5241 4.5266 3.9802 4.3613 3.9972 4.8044 4.1855 3.9494 3.8221 3.9286 3.7288 4.3433 4.5415 4.8327 4.1549 5.1023 4.1013 4.6163 3.6829 4.0097 4.2113 5-Aminolevulinate 5.2274 3.9504 3.8654 3.7868 3.8769 3.8723 4.0849 3.8431 4.0674 5.001 3.5895 3.8075 4.3947 3.6766 3.9084 3.6681 3.8446 3.9369 4.0517 3.828 3.962 3.75 3.748 3.8075 3.809 5.3329 4.0959 3.6788 3.8702 3.7429 4.05 3.9182 4.1137 3.575 3.9485 4.1652 4.2755 4.0865 3.7332 4.5753 3.5942 3.606 3.7057 3.6876 3.8065 4.1608 3.6943 3.7564 3.8943 4.0881 3.7432 3.9587 3.9887 4.6402 3.7152 3.9724 3.9431 3.814 4.0549 5-Aminopentanoate 6.1014 5.8936 5.9932 6.1077 6.1157 6.1131 5.9716 6.0973 6.8629 7.3177 5.9678 6.096 6.119 5.9121 6.0057 6.4563 6.3463 6.1125 6.1553 6.1899 6.0885 6.1563 6.02 6.0585 6.3025 6.1866 6.1646 6.0856 6.0197 6.2658 6.4974 6.1186 5.8454 6.0757 6.2611 6.1646 6.1704 6.2778 6.2354 6.2371 6.4394 6.4843 6.2412 6.1368 6.1588 6.1617 6.1517 6.1836 6.3711 6.152 6.3942 5.9157 6.6893 6.5442 5.4479 6.1812 6.0816 6.4985 6.0977 5-Deoxyadenosine 3.1659 3.22 3.0766 3.1729 3.1795 3.2158 3.227 3.1853 3.1487 3.3034 3.0011 3.5156 3.5819 3.0864 3.3147 3.3573 3.4302 3.3875 2.9171 3.1718 3.2923 3.372 3.0065 3.3189 3.1074 3.5553 3.8912 3.7329 3.1591 3.0335 3.3123 3.2655 3.4539 3.488 3.0397 3.1236 3.3818 3.227 3.4037 3.5725 3.0956 3.4258 3.2238 2.936 3.8847 3.4943 3.2313 3.5306 3.8919 3.8636 3.5007 3.1163 3.3069 3.6164 2.8404 3.6262 3.743 2.8903 3.7628 5-Hydroxylysine 3.7188 3.1321 3.2662 3.3645 3.5212 3.0417 3.3886 3.3442 3.015 3.5327 3.0302 3.2505 3.4946 3.3214 3.124 3.0816 3.0151 3.0397 3.0648 3.2165 3.7494 3.367 3.8441 3.2115 3.2458 3.2468 3.1012 2.9025 2.8782 2.7462 3.2833 3.0835 3.1869 2.9521 3.0971 2.8519 3.1258 2.875 2.9454 3.3827 3.0218 3.2012 3.0456 2.9559 3.0737 3.2029 2.8666 2.9109 2.8916 2.9117 2.746 3.3108 2.9771 3.669 3.239 3.222 3.1009 2.8027 2.9484 5-Hydroxytryptophan 3.9095 4.155 4.2273 4.3152 4.1013 4.223 4.1405 4.3972 3.936 3.8016 4.179 4.3094 4.9048 4.1856 4.4627 4.8216 4.4653 4.4597 3.7365 4.5116 4.686 4.1425 4.464 4.5868 4.4442 3.8497 4.3324 4.2446 4.4605 4.2646 4.5125 4.1266 4.3914 4.1127 5.8796 4.4687 4.7661 4.6485 4.2066 4.4515 4.3874 4.6207 4.5031 4.5132 4.5196 3.5842 4.1177 4.4992 4.579 4.3716 4.2372 4.5862 4.1367 5.1103 4.4345 4.6181 4.1338 4.4649 4.2011 5-Methoxytryptophan 3.8194 2.9141 2.9585 2.7142 2.9584 2.9927 3.0746 2.9102 3.5761 3.5194 2.8468 3.2705 3.551 2.9957 3.48 2.8939 2.8573 3.0228 3.0133 2.987 3.4025 3.6537 2.826 3.0831 3.4007 3.5752 3.784 3.6313 2.7345 2.6163 2.8596 2.7871 3.217 3.32 2.7585 3.0204 3.0006 2.721 3.7067 3.1966 2.7632 3.3441 3.3741 2.8048 3.7689 3.1567 3.2523 3.2348 4.1553 4.388 3.2629 2.7959 2.9805 3.7281 2.7127 4.4633 4.1703 2.7592 4.3337 5-Methylcytosine 4.5907 4.0892 4.0252 3.5139 3.6565 3.7827 3.9767 4.0981 3.613 3.9779 3.7868 3.9466 4.2203 3.9744 3.9338 4.1891 4.2091 3.9057 3.2071 4.0338 4.975 4.0291 3.6843 4.0609 3.5551 4.3918 3.6912 4.0448 3.6856 3.0416 3.7156 4.6086 3.6474 3.3697 3.2279 3.5899 3.6026 3.6526 3.1554 4.0221 4.2468 3.0967 3.0161 3.525 3.7153 3.5058 3.1939 3.2762 3.4484 3.9133 3.8048 3.394 3.5275 4.6144 3.4295 3.5736 3.3004 2.77 3.4483 5-Valerolactone 3.8135 2.6809 2.7796 2.7136 2.8967 2.9675 3.0644 2.4117 2.933 3.0779 2.5492 2.6157 4.0144 2.7417 2.6643 2.4487 2.6547 3.1525 2.7374 2.5056 2.5247 2.6872 2.5122 2.711 2.6145 3.6053 2.8278 2.5548 2.5431 2.4198 3.1541 2.8955 2.6647 2.4284 2.8864 2.965 3.0593 3.009 2.4136 3.5517 2.5038 2.6175 2.8625 2.9567 2.6204 3.4502 2.6025 2.3786 2.4349 2.9896 2.6622 2.5714 2.5243 3.6372 2.7526 2.9384 2.704 2.5136 2.556 6-Carboxyhexanoate 4.282 4.5363 4.6619 4.5127 4.6016 4.2683 4.387 4.7381 4.7615 4.2114 4.6991 4.4923 5.1947 4.7041 4.5216 4.8962 4.5098 4.4852 4.3538 4.6046 4.9729 4.6962 4.8689 4.6971 4.0446 3.9305 4.012 4.0269 4.0318 4.0669 4.2209 4.5247 3.7856 3.9711 4.0959 4.206 4.3384 4.4539 3.745 4.6685 4.0602 3.9268 3.4597 4.2204 3.529 3.5592 3.3501 3.7294 2.9722 4.2399 3.8958 4.1219 3.5556 5.0611 4.7242 3.4188 3.5483 3.9917 3.702 6-Hydroxydopamine 3.3409 3.0879 3.277 3.1201 3.2256 3.3182 3.2757 3.5131 3.451 3.8024 2.9672 3.1187 3.7684 3.1898 3.0944 3.7261 3.1494 3.412 2.9953 3.4718 3.9314 3.4159 3.0555 3.6153 3.2994 3.2968 3.9788 3.0833 3.148 3.0515 3.2856 3.6139 3.0951 3.0424 3.1697 2.934 3.4227 3.2892 3.1035 3.4964 3.2516 3.1055 3.1016 2.9765 2.9263 3.118 3.2462 3.1131 3.2412 3.8712 3.5028 3.2327 3.0588 3.8059 3.0371 3.3408 3.0231 3.1697 3.1136 6-Hydroxynicotinate 2.9846 3.1273 3.171 3.1603 3.2409 3.3146 2.9782 3.4477 3.2652 3.3792 2.983 3.1264 3.4094 3.0717 3.1856 3.8576 3.5766 3.4311 2.9735 3.1974 3.5758 3.5193 2.8596 3.5833 2.9175 3.1355 3.0813 3.0984 3.1151 3.1762 3.1113 3.1745 3.2006 3.0107 3.3493 2.9943 3.0731 2.9906 3.211 3.4886 3.4925 3.163 3.361 2.9911 2.7833 2.964 3.1751 2.998 2.7202 2.9733 3.4333 3.1959 2.9516 3.6256 3.191 3.0291 3.0916 3.2065 3.0343 6-Phosphogluconate 5.5423 4.0993 4.2683 4.2666 4.5658 4.6902 4.4554 4.2079 4.1614 5.0076 4.1714 4.0962 4.7794 4.6954 3.8787 4.4026 4.3201 4.4355 4.1529 4.2617 4.0923 4.341 3.6332 4.5022 3.8479 5.234 4.2927 4.7293 5.3983 5.1794 5.3733 4.8114 5.1505 4.7699 6.7886 4.7425 5.4015 4.8131 5.0369 5.8124 5.4072 5.8758 4.4208 5.0334 4.4982 5.1113 4.5096 5.4464 5.279 4.8682 3.9942 4.7395 5.2944 4.416 5.3921 5.6732 5.1394 6.1048 4.379 6-Phosphonogluconolactone 4.9864 3.555 3.7553 3.6566 3.9512 4.16 3.95 3.6489 4.1232 4.3016 3.558 3.5991 4.564 4.0367 3.4119 3.7498 3.7823 4.2291 3.4929 3.6995 3.6513 3.7788 3.026 3.9228 3.4594 4.7162 3.9229 4.0654 4.74 4.4774 4.7785 4.2303 4.5425 4.2497 6.02 4.1888 4.8451 4.3571 4.4369 5.295 4.6878 5.109 3.6912 4.4964 3.8722 4.8206 3.9737 4.7245 4.5518 4.3351 3.554 4.1355 4.5989 4.3239 4.7028 4.9 4.5064 5.3357 3.9071 7-Hydroxyoctanoate 4.0486 3.4692 3.4407 3.722 3.9027 3.975 3.7666 3.3484 3.5137 5.0705 3.5203 3.453 4.3665 3.4814 3.6079 3.6277 3.53 4.0599 3.4137 3.5095 3.9355 3.4635 3.4933 3.4539 3.2794 3.6147 3.6244 3.4664 4.0418 3.6748 3.6818 3.3548 3.8393 4.0209 3.9913 3.7144 4.1283 4.14 3.9126 4.1917 4.5173 4.9322 3.6132 4.2478 3.3136 3.7056 3.6058 4.2448 3.7177 3.4932 3.6716 3.6373 3.5956 4.4 4.5867 3.2459 3.7864 4.2417 3.8292 7alpha-Hydroxy-3-oxo-4-cholestenoate 3.375 2.8575 2.3493 2.2142 2.2479 3.4858 2.4523 2.6556 2.7938 2.962 2.3297 3.673 4.5808 2.2974 3.2109 2.4845 2.4681 4.509 2.2134 3.405 2.6944 3.0681 3.1584 2.9284 3.7547 3.4948 4.254 4.5459 3.0219 2.254 4.5222 2.4114 3.53 3.4562 3.8495 3.3317 3.6057 3.3803 3.9488 3.616 1.9358 3.3642 4.9929 2.853 4.8147 2.4605 3.2472 2.9129 4.9182 4.7294 4.14 3.5316 3.3905 6.247 2.3274 4.7239 4.4259 2.8287 5.9501 Xanthine 6.4856 7.079 6.9304 6.9495 6.9518 6.3793 7.0186 6.9655 6.8199 6.1891 6.822 6.9436 7.0256 6.7562 6.8763 6.492 6.6024 6.5183 7.0689 6.7957 6.741 6.3723 6.5328 6.8537 6.5875 6.5183 6.4327 6.4825 6.1738 6.4847 6.7564 6.761 6.3393 6.6174 6.1941 6.4314 6.5418 6.428 6.3705 6.4986 6.3092 6.5135 6.246 6.3686 5.7439 6.5494 5.3464 6.3433 6.4159 5.9654 6.0563 6.5956 6.4834 6.8687 6.7045 5.2638 6.2835 6.6093 6.6853 Xanthosine 4.2014 6.3357 5.9271 6.3395 5.9418 4.8649 5.9313 6.1358 4.5684 4.2377 5.9467 6.361 5.4703 5.7259 6.1842 5.77 5.716 4.5824 6.2807 6.0075 4.2467 5.6451 5.873 6.0868 5.7647 4.5491 5.3768 5.3272 5.0166 6.0174 4.9332 5.8629 4.9892 5.6953 4.8784 4.953 4.6252 5.2162 5.6729 4.4351 6.214 5.0755 4.8399 5.4674 4.9305 5.2235 4.2844 5.8648 5.5009 4.4556 4.7061 5.5599 5.5401 4.7793 5.0369 4.3982 4.5337 6.2558 5.1824 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB ID KEGG ID Acetoacetate HMDB0000060 C00164 Acetoin HMDB0003243 C00466 Acetylcarnitine HMDB00201 C02571 Adenine HMDB0000034 C00147 Adenosine HMDB0000050 C00212 Adenosine monophosphate HMDB0000045 C00020 Adipate HMDB0000448 ADP-glucose HMDB0006557 C00498 Agmatine sulfate HMDB0001432 C00179 Aicar HMDB0001517 C04677 Alanine HMDB0000161 C00041 Allantoin HMDB0000462 C01551 alpha-Ketoisovalerate HMDB0000019 C00141 Aminoadipate HMDB0000510 C00956 Anserine HMDB0000194 C01262 Arabitol HMDB0001851 C00532 Arginine HMDB0000517 C00062 Argininosuccinate HMDB0000052 C03406 Ascorbate HMDB0000044 C00072 Asparagine HMDB0000168 C00152 Aspartate HMDB0006483 C00402 Azelate HMDB0000784 C08261 Benzaldehyde HMDB0006115 C00261 Benzoate HMDB0001870 C00180 Benzylamine HMDB0033871 C15562 Betaine HMDB0000043 C00719 Betaine aldehyde HMDB0001252 C00576 Biliverdin HMDB0001008 C00500 Biotin HMDB0000030 C00120 Bis(2-ethylhexyl)phthalate HMDB0249243 C03690 Butanoate HMDB0000039 C00246 Caffeate HMDB0001964 C01481 Caffeine HMDB0001847 C07481 Carnitine HMDB0000062 C00318 Carnitine (12:0) HMDB0002250 Carnitine (14:0) HMDB0005066 Carnitine (16:0) HMDB0100846 C02990 Carnitine (18:1) HMDB0005065 Carnitine (3:0) HMDB0000824 C03017 Carnitine (4:0) HMDB0002013 C02862 Carnitine (6:0) HMDB0000705 Carnitine (8:0) HMDB0000791 C02838 Carnitine (glutaryl) HMDB0013130 Carnosine HMDB0000033 C00386 CDP-ethanolamine HMDB0001564 C00570 Cholate HMDB0000619 C00695 cis-4-Hydroxyproline HMDB0060460 C01015 cis-Aconitate HMDB0000072 C00417 Citicoline HMDB0001413 C00307 Citramalate HMDB0000426 C00815 Citrate HMDB0000094 C00158 Citrulline HMDB0000904 C00327 Cortexolone HMDB0000015 C05488 Cortisone HMDB0002802 C00762 Creatine HMDB0000064 C00300 Creatinine HMDB0000562 C00791 Cyclic ADP-ribose HMDB0249529 C13050 Cyclic AMP HMDB0000058 C00575 Cystathionine HMDB0000099 C02291 Cysteine HMDB0000574 C00097 Cystine HMDB0000192 C00491 Cytidine HMDB0000089 C00475 Cytidine cyclic phosphate HMDB0011691 C02354 Cytidine diphosphate HMDB0001546 C00112 Cytidine monophosphate HMDB0000095 C00055 Cytosine HMDB0000630 C00380 Decadienoylcarnitine HMDB0000651 Decanoylcarnitine HMDB0000651 9-Decenoylcarnitine HMDB0013205 Deoxyadenosine HMDB0000101 C00559 Deoxyadenosine monophosphate HMDB0000905 C00360 Deoxycarnitine HMDB0001161 C01181 Deoxycholate HMDB0000626 C04483 Deoxycytidine HMDB0000014 C00881 Deoxycytidine monophosphate HMDB0001202 C00239 Deoxyguanosine HMDB0000085 C00330 Deoxyguanosine monophosphate HMDB0001044 C00362 Deoxyinosine HMDB0000071 C05512 Deoxyribose HMDB0003224 C01801 Deoxyuridine HMDB0000012 C00526 Deoxyuridine monophosphate HMDB0003407 C00365 Diacetyl HMDB0001370 C00741 Diaminopimelate HMDB0004437 C00666 Diethanolamine HMDB0000076 C06772 Dihydrouracil HMDB0000092 C00429 Dimethylglycine HMDB0002183 C01026 Docosahexaenoate HMDB0000073 C06429 Dopamine HMDB0001321 C03758 Eicosapentaenoate HMDB0000622 C06428 Erythrose 4-phosphate HMDB0000220 C00279 Ethylmalonate HMDB0000207 FA (16:0) HMDB0001248 C00249 FA (18:1) HMDB0000954 C00712 FAD HMDB0000121 C00016 Ferulate HMDB0001058 C01494 Folate HMDB0000124 C00504 Fructose 1,6-bisphophate HMDB0000134 C00354 Fructose 6-phosphate HMDB0003073 C00085 Fumarate HMDB0000625 C00122 Gamma-linoleonate HMDB0000150 C06426 Gluconate HMDB0001254 C00257 Gluconolactone HMDB0000592 C00198 Glucosamine 6-phosphate HMDB0000127 C00352 Glucosamine 6-sulfate HMDB0006355 C04132 Glucuronate HMDB0003339 C00191 Glucuronolactone HMDB0000641 C02670 Glutamate HMDB0000661 C00025 Glutamine HMDB0100125 C00064 Glutarate HMDB0003337 C00489 Glutathione HMDB0001112 C00051 Glutathione disulfide HMDB0000139 C00127 Glyceraldehyde 3-phosphate HMDB0000126 Glycerate HMDB0000086 C00258 Glycerol 3-phosphate HMDB0000123 C00093 Glycerophosphocholine HMDB0000637 C00670 Glycine HMDB0000138 C00037 Glycochenodeoxycholate HMDB0000631 C05466 Glycocholate HMDB0000115 C01921 Glycodeoxycholate HMDB0000698 C05464 Glycolate HMDB0000708 C00160 Glycolithocholate HMDB0000119 C15557 Glycoursodeoxycholate HMDB0000128 Glyoxylate HMDB0003157 C00048 Guanidinoacetate HMDB0000132 C00581 Guanidinosuccinate HMDB0000133 C03139 Guanine HMDB0001397 C00242 Guanosine HMDB0003466 C00387 Guanosine monophosphate HMDB0002259 C00144 Gulonolactone HMDB0001514 C01040 Heptadecanoate HMDB0000122 Hexosamines HMDB0000714 C00329 Hexose HMDB0000870 Hippurate HMDB0000177 C01586 Histamine HMDB0000742 C00388 Histidine HMDB0000130 C00135 Homocysteine HMDB0000719 C00155 Homogentisate HMDB0002434 C00544 Homoserine HMDB0002059 C00263 Hydroquinone HMDB0000746 C00530 Hydroxy-FA (12:0) HMDB0000732 C08317 Hydroxy-isocaproate HMDB0000755 Hydroxykynurenine HMDB0000760 C02794 Hydroxyphenyllactate HMDB0000965 C03672 Hyocholate HMDB0000157 Hypotaurine HMDB0000197 C00519 Hypoxanthine HMDB0003320 C00262 Indole-3-acetate HMDB0003447 C00954 Indole-3-carboxylate HMDB0001190 C19837 Indole-3-ethanol HMDB0000195 C00955 Indoleacetaldehyde HMDB0000193 C00637 Inosine HMDB0000172 C00294 Isocitrate HMDB0000688 C00311 Isoleucine HMDB0002092 C00407 Isovalerylcarnitine HMDB0000695 Itaconate HMDB0000684 C00490 Ketoleucine HMDB0000181 C00233 Kynurenine HMDB0000190 C00328 L-DOPA HMDB0000186 C00355 Lactate HMDB0001066 C01432 Lactose HMDB0000687 C00243 Lactoylglutathione HMDB0000673 C03451 Leucine HMDB0100761 C00123 Linoleate HMDB0254199 C01595 Lithocholate HMDB0000182 C03990 Lumichrome HMDB0010382 C01727 Lysine HMDB0010385 C00047 Lyso-PC (16:0) HMDB0011503 C04230 Lyso-PC (18:1) HMDB0011505 Lyso-PE (16:0) HMDB0000156 Lyso-PE (18:1) HMDB0000176 Malate HMDB0254312 C00149 Maleate HMDB0000691 C01384 Maleimide HMDB0000765 C07272 Malonate HMDB0000749 C00383 Mannitol HMDB0000696 C00392 Mesaconate HMDB0002005 C01732 Methionine HMDB0036583 C00073 Methionine sulfoxide HMDB0006024 C02989 Methyl jasmonate HMDB0000227 C11512 Mevalolactone HMDB0000766 Mevalonate HMDB0004620 C00418 Murideoxycholate HMDB0006028 C15515 N-Acetylalanine HMDB0000812 N-Acetylarginine HMDB0001067 N-Acetylasparagine HMDB0001890 N-Acetylaspartate HMDB0000215 C01042 N-Acetylaspartylglutamate HMDB0001138 C12270 N-Acetylcysteine HMDB0000532 N-Acetylglucosamine HMDB0011756 C00140 N-Acetylglutamate HMDB0011745 C00624 N-Acetylglycine HMDB0000230 N-Acetylleucine HMDB0003357 C02710 N-Acetylmethionine HMDB0000512 C02712 N-Acetylneuraminate HMDB0094701 C00270 N-Acetylornithine HMDB0002064 C00437 N-Acetylphenylalanine HMDB0013713 C03519 N-Acetylproline HMDB0000446 N-Acetylputrescine HMDB0255145 C02714 N-Acetyltryptophan HMDB0001015 N-alpha-Acetyllysine HMDB0001539 C12989 N-Formylglycine HMDB0001325 N-Formylmethionine HMDB0001186 C03145 N,N-Dimethylarginine HMDB0000902 C03626 N,N,N-Trimethyllysine HMDB0100221 C03793 N1-Acetylspermine HMDB0001406 C02567 NAD+ HMDB0000229 C00003 NADPH HMDB0001488 C00005 Nicotinamide HMDB0003011 C00153 Nicotinamide hypoxanthine dinucleotide HMDB0061677 C04423 Nicotinamide mononucleotide HMDB0001721 C00455 Nicotinate HMDB0061717 C00253 Nor-Desoxycholate HMDB0004825 O-Acetylserine HMDB0005765 C00979 O-Adipoylcarnitine HMDB0000214 O-Phosphoserine HMDB0000226 C01005 O-Succinyl homoserine HMDB0000225 C01118 O-Succinylcarnitine HMDB0000805 Octopamine HMDB0000210 C04227 Ophthalmate HMDB0012275 C21016 Ornithine HMDB0000209 C00077 Orotate HMDB0000159 C00295 Oxoadipate HMDB0001065 C00322 Oxoproline HMDB0000779 C01879 Pantothenate HMDB0001511 C00864 Phenethylamine HMDB0000224 C05332 Phenylacetate HMDB0001565 C07086 Phenylalanine HMDB0000272 Phenylethanolamine HMDB0000070 C02735 Phenyllactate HMDB0000245 C01479 Phosphocreatine HMDB0000162 C02305 Phosphoethanolamine HMDB0013305 C00346 Phosphorylcholine HMDB0000802 C00588 Phosphoserine HMDB0001414 Pipecolate HMDB0001545 C00408 Porphobilinogen HMDB0000239 C00931 Proline HMDB0000957 C00148 Propionylcholine HMDB0000267 Pterin HMDB0000243 C00715 Putrescine HMDB0003072 C00134 Putrescine-NH3 HMDB0003213 Pyridoxal HMDB0000508 C00250 Pyridoxine HMDB0000244 C00314 Pyrocatechol HMDB0001548 C00090 Pyroglutamate HMDB0000939 Pyruvate HMDB0001185 C00022 Quinate HMDB0029415 Raffinose HMDB0001173 C00492 Ribitol HMDB0029881 C00474 Riboflavin HMDB0015687 C00255 Ribose 5-phosphate HMDB0042012 C00117 S-adenosylhomocysteine HMDB0000271 C00021 S-Adenosylmethionine HMDB0000792 C00019 S-Carboxymethylcysteine HMDB0001068 S-Methylthioadenosine HMDB0000187 C00170 Saccharate HMDB0000259 C00818 Salicylamide HMDB0029581 Salsolinol HMDB0000247 C09642 Sarcosine HMDB0001257 C00213 Sebacate HMDB0001256 C08277 Sedoheptulose 7-phosphate HMDB0003553 Serine HMDB0000827 C00065 Serotonin HMDB00848 C00780 Sorbate HMDB0000893 Sorbitol HMDB0000254 Spermidine HMDB0000956 C00315 Spermine HMDB0000251 C00750 Stachyose HMDB0000027 C01613 Stearate HMDB0002825 C01530 Stearoylcarnitine HMDB0001889 Suberate HMDB0002666 C08278 Succinate HMDB0000167 C00042 Tartrate HMDB0000273 C00898 Taurine HMDB0001227 C00245 Tetrahydrobiopterin HMDB0000262 C00272 Theobromine HMDB0060080 C07480 Theophylline HMDB0000248 C07130 Thiamine monophosphate HMDB0013326 C01081 Threonine HMDB0000958 C00188 Thymidine HMDB0002349 C00214 Thymidine monophosphate HMDB0000933 C00364 Thymine HMDB0000875 C00178 Thyrotropin releasing hormone HMDB0000906 C03958 Thyroxine HMDB0000929 C01829 trans-2-Dodecenoylcarnitine HMDB0000158 trans-2-Tetradecenoylcarnitine HMDB0000286 trans-Aconitate HMDB0000290 C02341 trans-trans-Mucanoate HMDB0000888 Traumatate HMDB0000300 C16308 Trigonelline HMDB0000289 C01004 Trimethylamine HMDB0000026 C00565 Tryptophan HMDB0000296 C00078 Tyrosine HMDB0000295 C01536 UDP-Glucose HMDB0000288 C00029 UDP-N-acetylglucosamine HMDB0000301 C00043 Undecanedionate HMDB0000917 Uracil HMDB0000946 C00106 Uracil 5-carboxylate HMDB0000883 Urate HMDB0036458 C00366 Ureidopropionate HMDB0000001 C02642 Uridine HMDB0244272 C00299 Uridine diphosphate HMDB0033724 C00015 Uridine monophosphate HMDB0029659 C00105 Urocanate HMDB0000397 C00785 Ursocholate HMDB0254198 C17644 Ursodeoxycholate HMDB0000152 C07880 Valine HMDB0000991 C16436 1-Aminocyclopropanecarboxylate HMDB0001975 C01234 1-Methylhistidine HMDB37115 C01152 10-hydroxy-2-decenoic acid HMDB00008 10-Hydroxydecanoate HMDB0059655 C02774 10-undecanoate HMDB0031057 2',4'-Dihydroxyacetophenone HMDB0013751 C03663 2,3-Dihydroxybenzoate HMDB02261 C00196 2,4-Dihydroxypteridine HMDB0000402 2,5-Dihydroxybenzoate HMDB0001864 C00628 2-Aminooctanoate HMDB0013324 2-Aminophenol HMDB0031647 C01987 2-Ethyl-2-hydroxybutanoate HMDB0000842 2-Hydroxy-4-(methylthio)butanoate HMDB0033752 2-Hydroxybutyrate HMDB0030254 C05984 2-Hydroxyglutarate HMDB0000707 C02630 2-Hydroxyhexadecanoate HMDB0002441 2-Hydroxypyridine HMDB0002511 C02502 2-Hydroxytetradecanoate HMDB0001856 2-Isopropylmalate HMDB0001336 C02504 2-Ketohexanoic HMDB0000318 C00902 2-Octenoylcarnitine HMDB0001476 2-Propenoate HMDB0059712 C00511 2-Quinolinecarboxylate HMDB0061638 C06325 3-(2-Hydroxyphenyl)propanoate HMDB0013336 C01198 3-(3,4,5-Trimethoxyphenyl)propionate HMDB00355 3-(4-Hydroxyphenyl)pyruvate HMDB0010722 C01179 3,3-Dimethylglutarate HMDB0001352 3,4,5-Trimethoxycinnamate HMDB0000350 3,4-Dihydroxybenzoate HMDB0000291 C00230 3,4-Dihydroxyphenylacetate HMDB0001434 C01161 3,4-Dihydroxyphenylglycol HMDB00491 C05576 3-Dehydroshikimate HMDB0011600 C02637 3-Hydroxyanthranilate HMDB0000552 C00632 3-Hydroxybenzaldehyde HMDB0001861 C03067 3-Hydroxybenzenemethanol HMDB0001904 C03351 3-Hydroxydodecanoylcarnitine HMDB0000996 3-Hydroxyhexadecanoylcarnitine HMDB0003681 3-Hydroxymethylglutarate HMDB0061881 C03761 3-Hydroxyoctanoate HMDB0002035 3-Hydroxypyruvate HMDB0003464 C00168 3-Hydroxysebacate HMDB0011718 3-Methoxy-4-hydroxymandelate HMDB0000500 C05584 3-Methoxytyrosine HMDB0041683 3-Methyl-2-oxovalerate HMDB0244973 C03465 3-Methyladenine HMDB0002024 C00913 3-Methylglutarylcarnitine HMDB0002072 3-Methylhistamine HMDB0000873 3-Nitrotyrosine HMDB0000017 3-Sulfinoalanine HMDB0001149 C00606 4-Acetamidobutanoate HMDB0003355 C02946 4-Acetylbutyrate HMDB0001983 C02129 4-Coumarate HMDB0000450 C00811 4-Guanidinobutanoate HMDB0000472 C01035 4-Hydroxybenzaldehyde HMDB0002339 C00633 4-Hydroxybenzoate HMDB0002894 C00156 4-Hydroxyphenyl-2-propionate HMDB0250981 C03080 4-Hydroxyphenylglycine HMDB0000857 4-Imidazoleacetate HMDB0001537 C02835 4-Methoxybenzeneacetate HMDB0002658 4-Methylcatechol HMDB0001316 C06730 4-Pyridoxate HMDB0001127 C00847 5-Aminolevulinate HMDB00486 C00430 5-Aminopentanoate HMDB12458 C00431 5-Deoxyadenosine HMDB0000292 C05198 5-Hydroxylysine HMDB0000299 C16741 5-Hydroxytryptophan 5-Methoxytryptophan 5-Methylcytosine C02376 5-Valerolactone C02240 6-Carboxyhexanoate C02656 6-Hydroxydopamine 6-Hydroxynicotinate C01020 6-Phosphogluconate C00345 6-Phosphonogluconolactone C01236 7-Hydroxyoctanoate 7alpha-Hydroxy-3-oxo-4-cholestenoate C17337 Xanthine C00385 Xanthosine C01762 METABOLITES_END #END