#METABOLOMICS WORKBENCH darren.creek@monash.edu_20191116_134728_mwtab.txt DATATRACK_ID:1847 STUDY_ID:ST001274 ANALYSIS_ID:AN002115 PROJECT_ID:PR000860 VERSION 1 CREATED_ON November 18, 2019, 1:29 pm #PROJECT PR:PROJECT_TITLE Metabolomics-based profiling of the mode of action of Pathogen Box compounds in PR:PROJECT_TITLE Trypanosoma brucei PR:PROJECT_SUMMARY The mode of action of anti-Trypanosomal compounds from the Pathogen Box was PR:PROJECT_SUMMARY investigated using an unbiased metabolomics approach. Trypanosoma brucei PR:PROJECT_SUMMARY parasites were incubated for five hours with the test compounds at 0.5 µM PR:PROJECT_SUMMARY concentration. Analysis of cell pellets allowed reproducible detection of PR:PROJECT_SUMMARY diverse metabolites from a range of metabolic pathways. PR:INSTITUTE Monash University PR:LAST_NAME Creek PR:FIRST_NAME Darren PR:ADDRESS Monash Institute of Pharmaceutical Sciences, 381 Royal Parade, Parkville, PR:ADDRESS Melbourne, Victoria, 3052, Australia PR:EMAIL darren.creek@monash.edu PR:PHONE +61 (0) 3 9903 9249 #STUDY ST:STUDY_TITLE Metabolomics-based profiling of the mode of action of Pathogen Box compounds in ST:STUDY_TITLE Trypanosoma brucei (part-I) ST:STUDY_SUMMARY The mode of action of anti-Trypanosomal compounds from the Pathogen Box was ST:STUDY_SUMMARY investigated using an unbiased metabolomics approach. Trypanosoma brucei ST:STUDY_SUMMARY parasites were incubated for five hours with the test compounds at 0.5 µM ST:STUDY_SUMMARY concentration. Analysis of cell pellets allowed reproducible detection of ST:STUDY_SUMMARY diverse metabolites from a range of metabolic pathways. ST:INSTITUTE Monash University ST:LAST_NAME Creek ST:FIRST_NAME Darren ST:ADDRESS Monash Institute of Pharmaceutical Sciences, 381 Royal Parade, Parkville, ST:ADDRESS Melbourne, Victoria, 3052, Australia ST:EMAIL darren.creek@monash.edu ST:PHONE +61 (0) 3 9903 9249 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Trypanosoma brucei brucei SU:TAXONOMY_ID 5702 SU:GENOTYPE_STRAIN 427 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS DMSO DMSO_5 Drug treatment:DMSO SUBJECT_SAMPLE_FACTORS DMSO DMSO_6 Drug treatment:DMSO SUBJECT_SAMPLE_FACTORS DMSO DMSO_7 Drug treatment:DMSO SUBJECT_SAMPLE_FACTORS DMSO DMSO_8 Drug treatment:DMSO SUBJECT_SAMPLE_FACTORS MMV099637 MMV099637_1 Drug treatment:MMV099637 SUBJECT_SAMPLE_FACTORS MMV099637 MMV099637_2 Drug treatment:MMV099637 SUBJECT_SAMPLE_FACTORS MMV099637 MMV099637_3 Drug treatment:MMV099637 SUBJECT_SAMPLE_FACTORS MMV099637 MMV099637_4 Drug treatment:MMV099637 SUBJECT_SAMPLE_FACTORS MMV652003 MMV652003_1 Drug treatment:MMV652003 SUBJECT_SAMPLE_FACTORS MMV652003 MMV652003_2 Drug treatment:MMV652003 SUBJECT_SAMPLE_FACTORS MMV652003 MMV652003_3 Drug treatment:MMV652003 SUBJECT_SAMPLE_FACTORS MMV676600 MMV676600_1 Drug treatment:MMV676600 SUBJECT_SAMPLE_FACTORS MMV676600 MMV676600_2 Drug treatment:MMV676600 SUBJECT_SAMPLE_FACTORS MMV676600 MMV676600_3 Drug treatment:MMV676600 SUBJECT_SAMPLE_FACTORS MMV676600 MMV676600_4 Drug treatment:MMV676600 SUBJECT_SAMPLE_FACTORS MMV676604 MMV676604_1 Drug treatment:MMV676604 SUBJECT_SAMPLE_FACTORS MMV676604 MMV676604_2 Drug treatment:MMV676604 SUBJECT_SAMPLE_FACTORS MMV676604 MMV676604_3 Drug treatment:MMV676604 SUBJECT_SAMPLE_FACTORS MMV676604 MMV676604_4 Drug treatment:MMV676604 SUBJECT_SAMPLE_FACTORS MMV687706 MMV687706_1 Drug treatment:MMV687706 SUBJECT_SAMPLE_FACTORS MMV687706 MMV687706_2 Drug treatment:MMV687706 SUBJECT_SAMPLE_FACTORS MMV687706 MMV687706_3 Drug treatment:MMV687706 SUBJECT_SAMPLE_FACTORS MMV687706 MMV687706_4 Drug treatment:MMV687706 SUBJECT_SAMPLE_FACTORS MMV688179 MMV688179_1 Drug treatment:MMV688179 SUBJECT_SAMPLE_FACTORS MMV688179 MMV688179_3 Drug treatment:MMV688179 SUBJECT_SAMPLE_FACTORS MMV688179 MMV688179_4 Drug treatment:MMV688179 SUBJECT_SAMPLE_FACTORS MMV688271 MMV688271_2 Drug treatment:MMV688271 SUBJECT_SAMPLE_FACTORS MMV688271 MMV688271_3 Drug treatment:MMV688271 SUBJECT_SAMPLE_FACTORS MMV688271 MMV688271_4 Drug treatment:MMV688271 SUBJECT_SAMPLE_FACTORS MMV688279 MMV688279_1 Drug treatment:MMV688279 SUBJECT_SAMPLE_FACTORS MMV688279 MMV688279_3 Drug treatment:MMV688279 SUBJECT_SAMPLE_FACTORS MMV688279 MMV688279_4 Drug treatment:MMV688279 SUBJECT_SAMPLE_FACTORS MMV688467 MMV688467_1 Drug treatment:MMV688467 SUBJECT_SAMPLE_FACTORS MMV688467 MMV688467_3 Drug treatment:MMV688467 SUBJECT_SAMPLE_FACTORS MMV688467 MMV688467_4 Drug treatment:MMV688467 SUBJECT_SAMPLE_FACTORS MMV688776 MMV688776_1 Drug treatment:MMV688776 SUBJECT_SAMPLE_FACTORS MMV688776 MMV688776_2 Drug treatment:MMV688776 SUBJECT_SAMPLE_FACTORS MMV688776 MMV688776_3 Drug treatment:MMV688776 SUBJECT_SAMPLE_FACTORS MMV688776 MMV688776_4 Drug treatment:MMV688776 SUBJECT_SAMPLE_FACTORS MMV688796 MMV688796_1 Drug treatment:MMV688796 SUBJECT_SAMPLE_FACTORS MMV688796 MMV688796_2 Drug treatment:MMV688796 SUBJECT_SAMPLE_FACTORS MMV688796 MMV688796_3 Drug treatment:MMV688796 SUBJECT_SAMPLE_FACTORS MMV688796 MMV688796_4 Drug treatment:MMV688796 SUBJECT_SAMPLE_FACTORS MMV688797 MMV688797_1 Drug treatment:MMV688797 SUBJECT_SAMPLE_FACTORS MMV688797 MMV688797_2 Drug treatment:MMV688797 SUBJECT_SAMPLE_FACTORS MMV688797 MMV688797_3 Drug treatment:MMV688797 SUBJECT_SAMPLE_FACTORS MMV688797 MMV688797_4 Drug treatment:MMV688797 SUBJECT_SAMPLE_FACTORS MMV688798 MMV688798_1 Drug treatment:MMV688798 SUBJECT_SAMPLE_FACTORS MMV688798 MMV688798_2 Drug treatment:MMV688798 SUBJECT_SAMPLE_FACTORS MMV688798 MMV688798_3 Drug treatment:MMV688798 SUBJECT_SAMPLE_FACTORS MMV688798 MMV688798_4 Drug treatment:MMV688798 SUBJECT_SAMPLE_FACTORS MMV688958 MMV688958_1 Drug treatment:MMV688958 SUBJECT_SAMPLE_FACTORS MMV688958 MMV688958_2 Drug treatment:MMV688958 SUBJECT_SAMPLE_FACTORS MMV688958 MMV688958_3 Drug treatment:MMV688958 SUBJECT_SAMPLE_FACTORS MMV688958 MMV688958_4 Drug treatment:MMV688958 SUBJECT_SAMPLE_FACTORS MMV689028 MMV689028_1 Drug treatment:MMV689028 SUBJECT_SAMPLE_FACTORS MMV689028 MMV689028_2 Drug treatment:MMV689028 SUBJECT_SAMPLE_FACTORS MMV689028 MMV689028_3 Drug treatment:MMV689028 SUBJECT_SAMPLE_FACTORS MMV689029 MMV689029_1 Drug treatment:MMV689029 SUBJECT_SAMPLE_FACTORS MMV689029 MMV689029_2 Drug treatment:MMV689029 SUBJECT_SAMPLE_FACTORS MMV689029 MMV689029_4 Drug treatment:MMV689029 SUBJECT_SAMPLE_FACTORS MMV690027 MMV690027_1 Drug treatment:MMV690027 SUBJECT_SAMPLE_FACTORS MMV690027 MMV690027_2 Drug treatment:MMV690027 SUBJECT_SAMPLE_FACTORS MMV690027 MMV690027_4 Drug treatment:MMV690027 SUBJECT_SAMPLE_FACTORS MMV690028 MMV690028_1 Drug treatment:MMV690028 SUBJECT_SAMPLE_FACTORS MMV690028 MMV690028_2 Drug treatment:MMV690028 SUBJECT_SAMPLE_FACTORS MMV690028 MMV690028_3 Drug treatment:MMV690028 SUBJECT_SAMPLE_FACTORS MMV690028 MMV690028_4 Drug treatment:MMV690028 #COLLECTION CO:COLLECTION_SUMMARY Trypanosoma brucei brucei (T.b.b) bloodstream forms (strain 427) were maintained CO:COLLECTION_SUMMARY in vitro in 5-10 ml cultures at 37 °C and 5% CO2 in Creeks minimal media CO:COLLECTION_SUMMARY supplemented with 10% HMI-9. The cultures were passaged every 2-3 days and cells CO:COLLECTION_SUMMARY were grown to a maximum density of 2x106cells/ml. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY For drug-induced metabolic perturbation experiments, cells were sub-cultured at TR:TREATMENT_SUMMARY 10e6cells/ml in 20 ml volume with drugs added at 0.5 µM concentration and TR:TREATMENT_SUMMARY incubated for a further 5 hours until cell density reached ~2x10e6cells/ml. TR:TREATMENT_SUMMARY Cells were then used for metabolite quenching and extraction. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolism was rapidly quenched by rapidly cooling cultures to 4°C in a dry ice SP:SAMPLEPREP_SUMMARY and ethanol bath. Cultures were then centrifuged for 10 minutes at 1250g at SP:SAMPLEPREP_SUMMARY 4°C. The supernatant was discarded and cells were washed with 1 ml of cold PBS SP:SAMPLEPREP_SUMMARY by centrifugation for 1 minute at 2100g at 4°C. The supernatant was removed and SP:SAMPLEPREP_SUMMARY cells were extracted with 100 µl extraction solvent containing chloroform: SP:SAMPLEPREP_SUMMARY methanol: water (1:3:1 v/v) followed by vortexing at 4 °C for 1 hour. The SP:SAMPLEPREP_SUMMARY resulting suspension was centrifuged for 10 minutes at 2100g at 4°C and the SP:SAMPLEPREP_SUMMARY supernatant was transferred to glass vials and stored at -80 °C until analysis SP:SAMPLEPREP_SUMMARY by liquid chromatography and high-resolution mass spectrometry. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Metabolite extracts were analysed using hydrophilic interaction (HILIC) liquid CH:CHROMATOGRAPHY_SUMMARY chromatography (LC) and high resolution mass spectrometry on an Orbitrap system. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 RS CH:COLUMN_NAME SeQuant ZIC-pHILIC 5µm polymer (150 x 4.6 mm) CH:FLOW_GRADIENT linear gradient -time, %B as follows: 0min- 80%, 15min- 50%, 18min- 5%, 21min- CH:FLOW_GRADIENT 5%, 24min- 80%, 32min- 80%. CH:FLOW_RATE 300 μL/min CH:COLUMN_TEMPERATURE 25°C CH:SOLVENT_A 20 mM ammonium carbonate in water CH:SOLVENT_B 100% acetonitrile CH:INTERNAL_STANDARD internal standards (CHAPS, CAPS, PIPES and TRIS; all at 1 µM) CH:SAMPLE_INJECTION 10 μL #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS The raw LC-MS data was processed using IDEOM. MS:CAPILLARY_TEMPERATURE 300°C MS:CAPILLARY_VOLTAGE +50 V MS:SPRAY_VOLTAGE 4kV MS:RESOLUTION_SETTING 35000 MS:SCAN_RANGE_MOVERZ 85- 1275 m/z #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak height MS_METABOLITE_DATA_START Samples DMSO_5 DMSO_6 DMSO_7 DMSO_8 MMV099637_1 MMV099637_2 MMV099637_3 MMV099637_4 MMV652003_1 MMV652003_2 MMV652003_3 MMV676600_1 MMV676600_2 MMV676600_3 MMV676600_4 MMV676604_1 MMV676604_2 MMV676604_3 MMV676604_4 MMV687706_1 MMV687706_2 MMV687706_3 MMV687706_4 MMV688179_1 MMV688179_3 MMV688179_4 MMV688271_2 MMV688271_3 MMV688271_4 MMV688279_1 MMV688279_3 MMV688279_4 MMV688467_1 MMV688467_3 MMV688467_4 MMV688776_1 MMV688776_2 MMV688776_3 MMV688776_4 MMV688796_1 MMV688796_2 MMV688796_3 MMV688796_4 MMV688797_1 MMV688797_2 MMV688797_3 MMV688797_4 MMV688798_1 MMV688798_2 MMV688798_3 MMV688798_4 MMV688958_1 MMV688958_2 MMV688958_3 MMV688958_4 MMV689028_1 MMV689028_2 MMV689028_3 MMV689029_1 MMV689029_2 MMV689029_4 MMV690027_1 MMV690027_2 MMV690027_4 MMV690028_1 MMV690028_2 MMV690028_3 MMV690028_4 Factors Drug treatment:DMSO Drug treatment:DMSO Drug treatment:DMSO Drug treatment:DMSO Drug treatment:MMV099637 Drug treatment:MMV099637 Drug treatment:MMV099637 Drug treatment:MMV099637 Drug treatment:MMV652003 Drug treatment:MMV652003 Drug treatment:MMV652003 Drug treatment:MMV676600 Drug treatment:MMV676600 Drug treatment:MMV676600 Drug treatment:MMV676600 Drug treatment:MMV676604 Drug treatment:MMV676604 Drug treatment:MMV676604 Drug treatment:MMV676604 Drug treatment:MMV687706 Drug treatment:MMV687706 Drug treatment:MMV687706 Drug treatment:MMV687706 Drug treatment:MMV688179 Drug treatment:MMV688179 Drug treatment:MMV688179 Drug treatment:MMV688271 Drug treatment:MMV688271 Drug treatment:MMV688271 Drug treatment:MMV688279 Drug treatment:MMV688279 Drug treatment:MMV688279 Drug treatment:MMV688467 Drug treatment:MMV688467 Drug treatment:MMV688467 Drug treatment:MMV688776 Drug treatment:MMV688776 Drug treatment:MMV688776 Drug treatment:MMV688776 Drug treatment:MMV688796 Drug treatment:MMV688796 Drug treatment:MMV688796 Drug treatment:MMV688796 Drug treatment:MMV688797 Drug treatment:MMV688797 Drug treatment:MMV688797 Drug treatment:MMV688797 Drug treatment:MMV688798 Drug treatment:MMV688798 Drug treatment:MMV688798 Drug treatment:MMV688798 Drug treatment:MMV688958 Drug treatment:MMV688958 Drug treatment:MMV688958 Drug treatment:MMV688958 Drug treatment:MMV689028 Drug treatment:MMV689028 Drug treatment:MMV689028 Drug treatment:MMV689029 Drug treatment:MMV689029 Drug treatment:MMV689029 Drug treatment:MMV690027 Drug treatment:MMV690027 Drug treatment:MMV690027 Drug treatment:MMV690028 Drug treatment:MMV690028 Drug treatment:MMV690028 Drug treatment:MMV690028 3-Butynoate 18092.96879 23578.72159 29316.10088 33859.48401 45152.70676 35762.9352 48081.78863 52720.48551 42171.70673 37461.32251 60719.13926 116739.3817 58473.53768 51604.47966 74371.69236 41618.4388 55309.45969 28438.87633 70895.82039 118571.5476 78308.18952 99848.51119 98189.50766 84521.56429 142037.8567 60654.97713 34476.14355 84434.14768 78395.58825 54196.03995 52640.29833 96652.21403 57718.7761 95168.86174 74308.44475 62581.97421 60068.25229 78483.41695 63757.74576 48771.78154 28175.16682 23828.5343 29913.12402 73586.96995 79382.97754 57356.63706 48119.19901 19400.79121 25647.51526 34741.833 25024.2299 29580.50396 30870.43698 58149.71521 42062.64782 31678.51278 46727.93728 76715.41956 34686.2959 45911.68626 28610.13294 14617.03974 33510.8491 46046.47444 13764.69619 13575.3408 8436.881258 9592.13246 4-Aminobutanal 166672.3786 161588.8369 154465.4834 140640.2491 280092.5601 551455.059 515115.9414 377232.8888 479351.4918 435597.1039 538908.5211 383404.682 348864.2689 431098.0989 295606.7079 363163.8285 479225.3886 323854.9879 295424.8568 565195.3886 557787.9045 458512.3303 865512.0429 626275.9691 307282.5439 505821.634 422440.6705 221474.9124 422388.0707 401932.9222 408475.731 413684.8126 593773.9418 460596.6338 489230.6132 344715.8867 447419.6666 558131.0285 806044.6572 275464.6436 407405.2117 346656.6318 246413.143 423730.3413 332670.1808 603240.9213 650309.7447 189580.164 232916.5777 232321.6897 214486.8177 374481.798 363510.2629 251591.5504 269141.4593 311901.2803 437571.8 313261.3139 417077.1922 383893.1532 460972.603 294979.4734 261398.3756 263470.3669 117708.4552 120244.1038 152346.9512 111489.7961 Pyruvate 16031864.99 17920534.26 18511365.74 18442955.14 16347233.08 16591092.44 16180719.77 15647869.93 18359748.76 18058836.01 19205989.05 30551759.83 27937804.08 32398612.74 29659546.98 14125040.83 14915416.1 13539502.93 14966527.57 26757885.63 25444746.68 23146850.13 32182743.82 26137653.99 25987208.05 27970044.74 19970103.81 20777474.29 20303817.76 20998003.19 20337265.94 21366542.08 26557263.31 23246275.1 24148317.45 38466874.74 40569840.28 35847019.23 39301588.66 27496039.75 29429034.35 28533876.25 26964864.39 30919221.78 28772372.77 37874616.71 35316102.09 17744697.72 16232961.69 18144829.56 15311555.84 29160445.61 29006577.62 26545640.11 25923696.23 11238175.29 11097639.37 11039752.16 10682684.85 12331323.64 11391775.83 20860646.85 20797552.83 21067507.46 12992363.14 12295718.83 13822718.28 13684956.63 L-Alanine 21070451.13 29350929.09 33493021.91 33763293.54 22982286.51 21190603.21 25781071.95 31183165.25 25927889.46 22920830.32 31830150.39 26187222.71 18391217.76 17633343.33 27994980.57 18298348.35 24130175.78 20023208.56 26760427.18 22489756.63 20883895.86 17379362.56 20522329.39 26557535.99 24931477.72 25951587.9 21375035.74 24646383.29 24745277.89 28946399.88 19539726.1 22377121.78 25957099.17 19729310.97 25534823.71 19316699 17951256.76 17831907.35 20361064 24039833.63 23065999.9 27339434.92 17668908.69 23657322.24 18761708.51 24208517.9 22649989.53 22538289.05 33999746.53 33980317.18 31529716.95 22304844.16 19982309.03 24545626.13 21965880.01 19521178.07 28341427.48 20621119.62 26334579.35 25938227.69 24485253.96 29482346.27 27210131.62 25660423.77 31597427.15 28143534.21 29994918.73 27094377.22 N-dimethylethanolamine 39875.25978 76424.42653 59810.02171 26065.46387 127387.9624 99947.22796 88002.17055 67691.43027 114326.0613 69941.6693 100552.777 35675.62065 21747.06249 96879.74428 30082.74644 117028.5298 161877.887 56884.71013 98917.94916 60152.94269 26964.02072 81592.80289 70340.63927 80199.24823 89902.73992 81585.84513 25543.33234 34381.24011 56337.34417 43410.2714 57700.80286 20890.34165 46249.39024 76327.50375 149135.367 21510.32756 19876.20649 91971.92663 33500.63989 62225.90089 98197.34281 71713.09628 81394.95641 56632.9729 61557.15838 37580.79305 54621.38806 38094.35688 101648.6172 35778.04494 32687.62189 28558.86244 45276.81267 50330.54596 28295.10582 47192.60822 50984.58223 19586.43884 120022.3869 49113.87764 120557.7134 52536.00552 73582.66265 48071.38655 45492.32509 68600.5424 10432.84049 59179.2431 Oxalate 129356.7241 95540.47535 96417.75493 127355.6037 136335.0224 249007.0156 263656.6995 182255.9265 172025.0428 168963.0387 177965.0515 128815.5103 89936.44945 156577.599 105424.3443 106626.728 132851.8699 132680.2606 114422.3902 140712.4668 115239.2477 56124.93554 166159.1201 151878.4676 114235.2112 203524.8326 120647.0004 117564.7484 149391.33 151721.6485 162283.656 106526.5251 198175.1376 103756.4598 160985.8523 146812.1293 161062.135 92847.91145 262909.1068 107268.4811 149757.9928 208815.0124 83791.23002 100885.0621 97574.44382 176816.2572 211897.4507 96608.06592 161857.5169 170842.6943 151482.0792 133302.5988 159362.876 82433.10467 92666.4022 224122.1989 95238.69436 211109.1418 222046.5411 206624.929 225230.3122 294507.4488 144729.5744 157279.0682 178709.825 114947.1892 180848.2366 128091.7538 (R)-Lactate 190412.0207 180499.2536 162207.1292 181761.9554 593412.4339 607061.4503 627314.1701 595301.1889 599901.8124 575201.1673 572278.7247 693417.5454 600697.3152 711346.0658 691108.3967 526523.5372 563164.0889 518323.8159 575477.7707 1163283.893 1098722.865 1089738.612 1217762.085 1012109.074 946271.8007 945011.5746 600325.0287 614493.7124 598930.7858 718955.2432 654662.0321 695929.0286 839895.8645 795002.3965 781603.767 1098012.169 1149221.357 1172217.147 1073403.727 354372.7333 349487.3949 358606.4574 337396.6913 749508.0923 729754.3039 828883.5463 747484.4862 309688.5223 331773.6568 319448.247 347023.1917 446053.0702 457162.8332 460095.2618 409623.8367 538737.5683 492483.9434 527262.4818 591915.9016 613069.7541 624030.7235 511284.3844 302096.2077 361097.4522 206847.0773 162929.5349 252487.9984 218196.5162 (S)-Lactate 1949071.467 2074696.577 2048958.755 2086223.174 3813458.493 4241205.189 3850864.442 3552048.743 4551989.27 4394200.712 4032285.263 6250013.456 6253340.449 7792349.156 6791987.078 4480861.288 3891377.786 4145526.914 3674263.208 9603290.241 10241910.61 8843480.946 12593247.58 7508499.831 6874041.258 8486969.418 4819805.628 4793700.414 4523681.985 5859651.759 5547802.443 5686973.701 7849971.437 6039393.851 7348943.64 12072936.88 12565879.73 11053339.83 11810312.85 4325453.088 5167190.189 5214896.015 5086242.93 7011019.634 6762170.56 8984694.017 8533923.727 2052663.953 2206394.059 2156452.648 2044321.118 5027662.504 5013243.337 4002954.043 4079344.264 2900742.912 2530206.323 2746904.633 3616099.457 3597453.695 3764641.668 3170585.841 2824107.282 2964345.322 1793227.527 1586907.673 2119749.927 1707170.786 Glycerol 395685.7521 412794.8449 416777.1737 406681.0968 224877.4815 212128.346 231024.9331 243660.7468 338821.9148 347478.8834 376588.9158 860387.1203 813370.9094 723166.381 866600.0396 216145.7956 283523.4157 253611.7546 281193.034 1124616.901 1204001.905 1048308.731 1123191.242 721916.6236 814387.735 698838.2811 423567.4071 502542.1734 397202.4424 604967.7831 413315.5933 766086.3583 715374.0427 741781.7224 756274.3917 902163.0096 745221.2926 1007709.634 720822.9503 288494.2046 232787.3191 228593.5714 267835.0672 431423.7436 503136.1929 408257.294 379716.4107 77256.32592 84881.33384 74113.81926 77379.50827 264841.6305 246413.143 287738.2425 296582.8131 103201.3535 136453.748 113592.8122 136783.3058 177169.4512 201367.2132 211255.3427 284627.1299 324063.5387 87753.25458 99406.79881 82305.80387 87608.56374 Furfural 144545.1985 139926.8008 141258.2294 140742.8929 79833.52326 85152.79376 83774.90161 90596.83978 66603.72231 68041.1188 72411.42574 96690.63303 84379.12211 96775.88448 99533.56432 82843.91623 79865.57404 84746.59141 83444.09741 47801.24927 35392.06171 32849.95707 45743.13623 88242.90787 73079.81038 87594.85421 75468.17635 75527.29446 80766.27425 103987.5318 85082.80674 90807.95046 106704.3786 85978.64168 94959.39492 119512.0707 109517.4012 94782.37001 129075.076 160090.2551 155992.9321 173722.4815 134886.4907 124655.2316 103186.8175 115138.7026 126556.0248 64662.95179 101312.4443 92976.42632 79782.68906 100831.5419 124452.5786 96926.3215 107203.76 148908.5719 142589.416 141808.6043 138099.7806 136081.4065 145240.9791 96633.08182 75038.41688 98501.51802 166919.1418 178899.4216 180127.0808 172715.5473 Dihydrogenphosphate 156303.3262 144299.5626 139838.5508 139811.8408 151367.6254 144746.8351 128887.789 134220.4135 102121.3943 143722.6591 106218.2571 105616.1346 96222.76802 135572.9245 125787.9735 111472.6219 104313.8982 102127.5484 106449.449 37269.72433 69344.91119 56043.72812 86494.90454 108280.9149 123321.2299 122782.9547 131000.9018 143528.7437 108732.9775 126659.4437 83078.94117 122012.3392 98841.12641 118555.5607 118803.8815 89220.11581 87558.62925 86353.85488 71845.34979 125586.6015 111510.8917 123145.4912 120161.8885 89306.79504 100617.3895 112061.7357 118943.6446 153533.3953 179087.0343 152488.1167 144883.9288 120738.5625 116057.5916 149777.7989 113120.2624 129693.3958 129082.013 121322.3489 131239.8769 145535.8483 157754.6782 135972.8113 115052.2519 123561.6645 117150.0515 120408.3135 139646.9395 123561.2094 Orthophosphate 20520787.19 20439095.83 22668579.23 20882499.47 24136208.84 18069506.62 16513193.83 20263428.68 23825628.16 26162159.87 28485287.13 15238892.31 15162225.33 13065670.06 17326623.11 14125040.83 17336242.79 13348805.7 16070050.35 15841324.93 17123194.31 14764768.19 16674392.63 15850545.19 18191045.64 14994250.79 21174331.17 25291201.46 22026016.58 23963822.85 19140956.18 29018074.05 17554801.17 22045360.52 20682051.79 17318419.8 14600355.5 19541816.28 12875194.92 22042914.55 19429980.21 18314767.08 23536568.67 21186779.09 22076498 19522998.3 17136505.23 36666768.75 34255383.72 35739815.8 35659807.67 15256127.18 14503288.81 18788010.13 16622828.12 17399310.89 17629706.86 16771843.96 18589114.83 23241679.27 19098498.09 12247039.8 16898011.68 17073667.18 28479260 30466058.87 23911043.71 31043727.12 2-oxobut-3-enanoate 53773.46246 55588.09345 36821.51046 81879.11249 26747.47274 64895.85658 31504.65942 42538.89534 27230.13359 43257.38768 34816.76641 27777.05102 27339.82079 36790.1393 43688.03212 69915.84638 59846.7771 74663.80343 29901.29654 24989.78145 33756.88792 40704.95073 39346.92521 24109.65678 34151.70551 24691.49695 37104.49129 20226.80825 23173.4227 46318.63756 47797.20131 37950.22816 39850.8258 29130.61581 33983.60029 31065.58875 42612.33802 54189.26093 45727.74737 76763.36984 91796.97168 72871.56959 129020.7674 22263.00945 58453.97677 42051.95113 38214.5231 77401.90104 52324.21488 41807.14353 48229.94497 76810.63996 125732.6114 71594.67188 70910.48229 35132.74955 20625.38842 17939.3014 56121.78422 35850.29277 54691.27709 31778.82141 33131.18544 32019.84607 48929.45476 28569.87651 53372.62303 52445.66968 Hydantoin 85287.05255 113558.0439 55943.72124 85587.98223 95580.2209 129261.5503 137044.2597 91740.83522 109168.5574 87550.02019 75766.5141 63893.04375 58459.20245 101233.4572 80285.28918 104422.6916 69800.64543 76429.61504 41758.63255 57465.33598 81202.45443 83494.48173 116025.3504 112781.4594 65626.59537 112368.2468 99877.65336 59598.23151 74308.89257 86264.07161 115638.8842 71537.88191 150423.3355 66410.22783 164005.078 78341.55409 103737.2555 52600.9397 154126.6944 59518.31142 90929.38686 139087.2911 55280.36706 51149.9112 63648.66625 125132.2712 126057.3782 71933.05458 116679.8744 111782.4167 111724.1874 83067.40975 133779.4607 42659.22814 70685.48453 100691.2289 80159.3237 79233.39252 134714.4438 97300.00418 143989.196 229935.6849 50444.70812 76303.73817 78436.23609 49339.38423 122194.7957 59640.09507 [FA (6:0)] hexanal 329835.8686 291289.4755 356697.8646 320756.9301 507480.9795 450521.7211 386372.3494 326875.63 318605.103 409915.4639 242840.8156 239475.309 280898.6287 389925.6364 456728.8393 302820.9118 222741.2405 267716.5556 217254.6876 359686.4651 244311.0759 292641.6707 293704.96 283120.3586 333516.6559 299392.9043 350188.8788 402222.0793 209667.7366 428112.2865 325249.9563 258117.8214 437923.8799 398809.9003 538785.0332 244459.9812 228659.0509 292503.3946 159089.9998 213006.3668 196071.9712 258191.1433 243352.5238 199027.8214 224677.3225 184953.4021 195927.136 498086.9372 301136.498 426380.9168 498558.4553 318289.5529 108297.9964 250256.0487 269733.7093 284515.0258 331956.6057 200265.6334 565381.0535 576152.361 473624.6438 219225.2671 291928.9395 296123.1313 387975.6743 250224.6237 266291.851 242990.0383 Betaine aldehyde 125345.48 107062.8113 101454.5218 134770.7817 124272.0866 223156.8667 252680.8215 148044.3813 176828.9508 132722.6773 144105.4761 103501.9578 99166.96416 134440.1846 98029.59664 155016.0197 100873.9816 134157.881 95031.24278 118759.612 129676.566 106580.5269 203255.7265 140037.943 119652.2752 191788.745 154105.0074 93754.51289 109530.9036 145802.753 171159.9007 101771.2062 210566.1124 97690.80912 151888.259 114100.6629 152878.8209 73738.58194 189797.3254 83247.10449 162000.4427 203617.7825 82807.43383 105474.0492 79375.21364 164611.0378 184795.9047 137020.958 168108.715 154884.4542 137778.7247 123794.8422 128125.3938 75348.8506 97251.06849 199302.0776 139573.8331 196439.5781 236069.8014 186111.6592 225137.9059 280554.7066 108723.2695 147752.511 153246.7421 99456.04576 175345.3584 111052.0239 2-Oxobutanoate 291332.8542 270644.5054 231828.8243 191016.1381 1544774.461 480888.8617 425636.5404 523392.6481 298085.7406 306225.7299 290388.1143 416713.1047 487697.6283 374021.403 384054.9811 434094.2058 341974.2763 392278.9695 382352.2336 816508.8259 637464.8681 616785.9352 720465.4514 535218.1297 556367.3953 540880.9226 444801.3538 381101.1946 340436.588 513979.55 446274.3426 475536.8014 446289.4647 431813.526 486277.9325 641673.9411 677034.491 732703.0732 679803.0022 155639.0577 181206.2609 204615.369 176940.7288 498485.2336 494622.9433 603983.5273 590310.742 436255.969 229479.3559 266662.4979 478334.6413 196587.6455 147410.8735 284066.4176 234850.8983 249093.9233 289303.7511 267994.0899 454251.1619 572251.4746 454898.5257 247137.7979 230510.0018 218043.0858 192131.0336 141229.6511 101750.9197 263798.3191 Acetoacetate 354490.0428 352270.6319 362162.9825 380795.9762 304952.2241 283887.3747 262384.3952 292525.7412 221617.8031 234221.4933 225026.8223 322468.4618 283766.0705 324039.6715 341316.5528 220846.5516 235213.6715 218846.7716 217988.7242 242612.9949 234963.5071 225502.8765 295017.0117 272956.2621 301605.3288 265505.7398 294832.1775 288094.6372 278688.3954 289888.3706 279378.8501 310557.2754 304505.4452 301364.7694 319864.2512 238950.2467 205685.1821 216349.5091 223264.3938 192088.4953 195033.8946 184905.0756 209948.0262 216807.5437 216997.0174 235113.1909 206823.0662 341806.5303 333282.4355 373282.994 354181.2497 204640.2767 202822.0649 209783.3226 188593.1173 293677.5356 273654.8583 289351.0612 288369.0898 331209.2381 279706.0998 274893.1747 238723.8166 271967.9485 356093.4546 349045.2732 348037.5991 401310.4635 Succinate semialdehyde 114187.6096 138792.3432 115216.5224 103594.7163 75152.27972 116080.4484 85743.30554 113168.215 106282.5796 108812.8978 93911.55433 148748.7535 141041.161 181263.5992 148417.4229 109701.7417 90782.55075 89295.01073 63700.30771 124747.6123 146815.2757 87959.82679 120870.1434 99482.65674 97221.52065 127825.7965 108924.3722 85664.04877 98595.37302 109091.689 130108.1261 84872.9434 149340.977 105538.1895 137267.063 174375.5158 150005.9186 148030.2125 146037.6969 108227.4223 141011.1639 120058.4824 161181.5394 110557.917 137125.1758 147596.1042 157511.0727 119580.5639 153226.027 101671.2104 73851.99527 118583.2725 106565.0632 90183.19673 101383.5336 94438.21891 89841.41853 95227.2779 126116.1916 86222.39667 118735.8447 96792.99965 103910.2473 70008.91546 117586.2051 77495.5717 129664.6756 141249.4607 3-Methylbutanoic acid 500213.0251 600777.6773 320224.9834 377705.5004 469013.2957 824837.454 582015.173 392083.5195 605693.8051 655160.8962 263139.3138 290497.0023 446188.7112 573586.3677 351470.2897 583610.3044 299096.6769 485239.9035 200143.5971 286388.2751 471377.7848 200829.7569 607801.4706 338952.8543 227812.8243 626486.11 502644.126 306513.9577 364018.4469 422800.6889 544363.2275 155543.8472 781427.4986 281483.7893 416477.7409 550011.729 565435.0432 389986.1802 416108.1842 328026.8182 637727.5295 622175.4069 464458.7872 293184.2447 411396.7834 658966.3915 654517.0826 628706.6242 483792.3074 338849.984 413795.4576 606298.2883 560923.155 234650.0115 276454.04 449686.2066 447791.5207 399593.0059 687862.0687 500555.0673 784372.0519 683933.7209 267616.7627 306036.0301 349021.1916 178864.018 818557.7951 365379.1288 N,N-Dimethylglycine 292130.8403 306009.923 325187.8041 291848.1163 737867.764 703139.1216 635040.2231 813000.7721 502260.5341 608760.7574 470625.8351 319206.086 317480.4586 354356.4742 497284.2976 194412.3771 226394.6633 170081.9009 157888.5787 317230.7396 376383.8889 303634.5741 492196.6602 483211.9727 412741.8065 597837.8998 588554.0198 519099.4471 494285.6229 470567.0682 415359.3306 391878.4879 531167.7255 464121.4253 471629.8911 344961.0402 383388.0948 352731.5395 373262.4237 336420.3347 478175.8254 471566.3501 399774.9233 439627.3974 419138.93 513596.1531 582791.0759 413182.2642 430046.6648 407316.4055 458666.8471 460457.1656 439121.5476 378441.2061 362290.5398 693859.763 607314.0417 662127.7402 719814.8208 790627.2754 839183.2622 263491.1332 223416.5469 271085.7778 266659.7434 315500.994 299798.3948 286553.8935 (S)-2-Aminobutanoate 137655.8625 181778.4983 195446.2204 178347.5386 156073.8706 300301.4681 365344.265 174353.7874 221805.0576 224976.6861 203235.9991 131911.9852 96886.92698 235168.0858 117307.2678 155911.1072 126329.2915 122746.4325 115280.5515 160583.993 115219.2815 173397.2069 176296.5387 211050.288 134344.7676 242467.7133 130410.4383 134067.5484 185109.2239 220390.0589 222935.8132 120065.4056 211854.332 118084.1348 248889.7357 149608.0419 222739.7361 95218.53987 281682.4962 260800.609 190094.9619 204454.9075 97006.70742 173830.8782 113528.4428 197839.5979 228685.2421 126853.2357 224976.7662 214990.697 153771.588 157049.4277 149417.3465 92991.47394 118876.5969 292331.1666 251877.3584 338893.8811 252653.2765 240350.8648 312691.1547 376910.6066 158256.839 204815.362 217606.8327 114054.9277 212947.2764 165579.2213 [FA amino(4:0)] 2R-amino-butanoic acid 217088.7864 306574.7226 242613.6313 234174.9097 227636.633 472910.3532 637636.5105 325408.2553 311132.6589 283949.0233 289148.6603 230313.9191 195996.5722 250846.8068 181853.254 298955.6532 225990.8343 264926.6851 201130.3448 236987.1956 182184.7988 229150.0193 235785.7868 328951.626 246591.3737 373447.2923 240821.7963 192567.5124 290837.6584 345253.8471 339382.4661 235070.9875 323324.2249 208283.8773 283067.9636 258869.3436 292136.8639 142299.8897 412341.2147 220870.3398 297551.4874 359663.0818 185725.9632 259195.9345 180836.1239 313310.3032 342795.4842 165418.7292 360124.1809 325217.6842 232177.5514 231736.0909 255787.7399 161175.0472 194936.095 402896.4271 353682.0463 401997.7722 405551.941 323539.7648 407366.2713 558306.4747 267866.6312 328499.7279 373097.5346 210183.2738 317347.6771 263294.1169 L-3-Amino-isobutanoate 694332.5148 591563.1929 811132.603 691994.802 683220.7668 604204.1069 764710.0043 601248.7867 410096.9166 438467.0553 559724.8999 664511.1791 404577.0016 425831.7309 414502.9509 465768.172 407277.4918 351988.5791 460239.2587 423635.5803 375305.4877 408845.6591 449133.11 529444.2274 488065.4499 428681.3949 450076.6223 461443.7471 518693.7124 600313.3369 603057.5491 625371.3019 652456.6319 573664.0283 439599.1411 345097.5632 296119.2754 275500.0679 511264.2455 278361.1363 467927.7536 645417.6177 359850.0709 376153.225 349906.1124 371710.4852 500354.1479 458330.0891 617282.3342 753812.3045 550215.0927 310281.1121 444450.2977 342462.2425 419783.3036 556088.209 685141.0382 603497.8588 628472.8966 599469.5997 574631.7236 727237.5549 578841.9316 727003.1762 580509.1788 778756.7806 542470.3084 636863.4396 (R)-3-Amino-2-methylpropanoate 596259.3557 851295.667 825358.95 790553.7347 483763.6685 604204.1069 764710.0043 601248.7867 410096.9166 338573.2942 444112.2302 534177.1775 538054.3794 590678.1629 605924.2106 465768.172 624342.3329 496021.0008 578257.3118 678078.4231 428935.0672 433665.1287 483352.4181 635016.6 587931.1435 695796.6288 450076.6223 608277.1727 570617.3272 600313.3369 603057.5491 614329.636 534676.7633 448922.8863 607125.5297 444074.1016 487855.0595 398822.6689 511264.2455 526092.7979 453041.5907 645417.6177 460490.8233 535624.9836 453444.0593 434167.4852 503572.2252 680821.6871 724764.3525 803356.143 801376.1716 398328.1568 444450.2977 411052.5704 482052.4507 556088.209 685141.0382 576505.9732 568416.84 559342.5115 552382.8404 727237.5549 578841.9316 727003.1762 970230.1823 723101.8317 773804.7927 584738.8519 N-methylalanine 539849.521 591563.1929 811132.603 691994.802 683220.7668 581742.4268 716799.0305 516006.3469 375343.997 438467.0553 559724.8999 335667.6266 270642.015 339625.0971 275771.1765 352448.9952 372364.1437 353963.9938 323674.4793 241281.7183 285247.3125 282807.6477 344908.0625 529444.2274 488065.4499 428681.3949 359676.5597 461443.7471 518693.7124 542187.7203 440181.7612 625371.3019 652456.6319 573664.0283 439599.1411 345097.5632 426385.6555 275500.0679 462647.8154 334289.1756 467927.7536 422881.6679 359850.0709 251778.7838 349906.1124 371710.4852 500354.1479 458330.0891 435604.7766 456013.1417 249959.4177 310281.1121 364688.118 342462.2425 419783.3036 536321.0711 600206.9267 603497.8588 628472.8966 599469.5997 574631.7236 637233.0701 568410.5507 544769.3615 580509.1788 778756.7806 542470.3084 636863.4396 Choline 11268110.82 11624130.33 14981656.17 13075957.61 18462757.36 16069524.34 16777397.24 19362831.85 17799145.74 19563739.01 27729995.43 8803049.443 7159939.74 6401472.462 7717535.183 7801100.074 10542309.81 8455461.532 12345660.99 10588243.09 8721627.006 9151080.284 8361435.984 14590899.22 13643284.23 8785401.866 17461296.8 25076262.07 22932437.02 10808616.56 8374993.781 16313643.62 8903685.623 13210060.39 11900845.44 9242041.334 7494006.444 9831976.315 6524793.717 19047535.91 13407822.6 12027899.46 18394125.09 17742991.68 16839130.61 12782766.44 10985183.83 12446517.83 13293133.98 15175675.63 11382932.96 15835473.78 13858698.2 20181959.26 16820718.93 15560359.33 18968671.94 17734162.88 13639233.22 18362210.69 14377413.02 7630885.11 13691722.28 16175053.12 12056912.99 17145696.81 10026883.24 12858348.51 (R)-3-Hydroxybutanoate 57450.10946 58425.5467 61056.43202 62570.21441 62415.70042 74675.90004 96277.47591 55763.15278 64903.33783 55751.99858 66929.45786 90652.52828 82395.22214 115113.5906 89104.13956 83073.75746 71425.07627 87805.05457 71622.7445 104261.1831 110575.3902 92372.35136 140340.8855 107744.3762 85018.39471 105597.9573 64972.34702 64964.77548 69971.16093 79924.19648 84218.80006 69662.98025 94507.10904 76913.41872 89832.96854 133352.4439 147663.9994 117584.9215 147905.139 78005.88796 94664.76682 77331.24751 69943.60918 98165.16024 88177.69932 113230.3905 116892.689 67046.37718 75817.00322 79260.30118 61032.80122 82376.64454 84470.8386 71745.07541 72485.56946 64180.21609 75289.57919 62802.18904 63784.54169 53978.07781 74788.73529 80488.86975 52080.36254 65210.74539 54909.43756 51854.24831 64663.27926 49689.84648 2-Hydroxybutanoic acid 23528.81416 30202.5915 24050.87417 24670.24082 40042.36337 41850.92801 67486.5738 35718.6839 28969.92453 39191.90216 37416.70426 49675.07284 0 57846.69814 54099.60244 28421.49283 37876.31367 40487.11765 41742.5862 64652.87547 33141.34184 55865.1643 77357.27542 57255.37903 53060.55577 66342.51429 35370.72532 38361.76087 42879.04369 51069.81115 50108.85185 44264.33515 65593.43955 48164.4183 58037.55452 73870.42388 83191.38766 63939.81621 76504.87917 39680.16536 41006.17075 32929.24409 27906.68511 53445.4049 46805.72363 59512.16926 56270.28774 21061.1044 31833.51091 34465.48517 23446.59112 39953.35598 37290.11676 33266.33577 36997.07595 36534.26492 40072.33067 38283.57577 40445.99273 42307.6259 48405.96661 45543.60084 33227.25226 41945.35041 30826.96174 24455.99796 35063.53607 29877.28584 4-Hydroxybutanoic acid 34456.4071 27391.7769 35536.01904 42313.98408 45989.13518 60434.51723 77610.04386 46286.77655 43825.784 52436.23785 42677.79989 72883.49897 64170.43345 75456.17819 62166.02861 65885.56158 65762.92247 68657.50383 82255.20253 93144.82959 83856.69958 65603.39885 89069.3965 71771.48677 64977.47348 74343.88219 47683.46406 45137.08421 56664.87707 52143.77615 54231.48379 50995.3514 62437.04504 61880.79621 55997.7339 125704.4986 92798.3954 83146.29663 123200.5416 56548.65032 43484.51852 49077.06961 43221.39353 78819.40954 54721.9019 79148.14675 82357.98595 46929.37736 40741.3786 47219.31147 37468.24124 46265.89165 48621.27276 47885.44838 45540.92152 43567.73798 62993.87857 46623.92724 40032.79338 50338.9212 46574.9542 55080.00099 40593.36703 50366.92426 38601.50456 33035.58927 40826.77241 34066.1458 L-Serine 6608267.415 7707662.954 10118500.77 8898866.372 8217649.255 8553737.292 10073875.84 9704342.869 8591841.758 8060780.244 10477013.77 8211247.8 6306431.402 7665738.564 7043766.367 6039123.219 7152633.906 5589007.646 6244611.205 7196777.116 5152125.121 5538892.819 6603203.488 10089697.08 6901545.469 9555792.775 6996188.184 8597575.567 8541497.07 9631914.561 7081345.612 8662111.655 6854885.785 7933691.205 8432613.828 5438309.785 5211923.01 4461033.606 4132436.567 7120418.232 5566924.535 5939602.391 5648131.038 7147187.737 5400908.832 5706025.109 5969215.866 5886845.518 8875967.438 8267126.9 6776738.476 5358368.028 5215010.942 5406720.826 5999724.846 9587275.629 8606446.305 8413743.308 9288559.329 10574268.74 10151893.17 7513452.011 8189740.945 8363069.089 8710323.984 8402074.532 7798883.317 7358067.322 D-Glycerate 1175198.228 1295146.677 1271702.197 1210987.488 1230086.498 1126241.239 1007122.947 1098361.492 996711.255 994092.4731 952196.319 1652784.184 1681812.285 1910207.734 1862098.617 826634.4408 805277.7026 806198.856 782218.8391 1411711.367 1426096.936 1238043.788 1686119.976 1833719.132 1861784.695 2040770.517 1926832.024 2100156.472 1849493.568 2165050.428 1798549.541 1975429.572 2162325.2 1820693.514 1834298.105 1432129.76 1348098.394 1310217.866 1294157.317 1621099.299 1675097.653 1565081.785 1613547.817 1452020.838 1350621.502 1636029.698 1429691.647 1090650.934 1139198.655 1070827.289 1191281.352 1721595.293 1690610.373 1635269.613 1571252.214 1032996.115 980486.1892 1052917.375 1171603.361 1139692.66 1230034.281 1170498.42 1223067.903 1329003.645 1334278.406 1391130.37 1478848.533 1417942.098 L-Glycericacid 37379.83915 33632.21132 35724.84625 31926.99325 106027.2523 68704.1591 65197.89411 88482.69752 64536.9312 66368.6235 67570.53698 56563.68443 56767.51313 50806.5186 70639.0204 40057.52398 48768.83803 42823.50503 45969.36938 46993.61038 48860.74303 37816.43675 56712.71665 68263.35633 68268.32576 66225.37734 84012.15383 96730.29278 72901.68193 46298.95194 35905.17613 59686.00967 43302.72204 51340.46208 46827.19552 43921.42567 38548.95651 49568.59466 30590.53494 54490.99561 47945.41579 47726.42293 52958.88137 48898.99139 48378.26495 46874.36812 42645.794 73202.00283 67276.5391 65667.16483 68462.48658 71916.84339 71697.93987 95758.37776 76150.70306 46863.26017 48419.41804 43581.05548 47958.45794 51512.77747 47947.80542 51176.53323 72063.22269 75230.80702 36770.74255 35586.01434 29544.15764 38297.68335 Hypotaurine 231987.127 279739.328 246413.143 287548.7243 212114.4093 244460.1733 292261.1805 237707.4499 120363.0441 101911.5248 160169.2157 186103.5969 116719.4665 169749.3281 159745.5303 204886.0078 183024.0278 221040.1473 178156.9405 163898.5004 194055.6133 181578.2438 217507.1579 188184.5317 226498.5415 215465.4014 189624.2422 217430.2232 243448.7233 230563.1541 207376.3717 207642.614 183852.9589 190105.3947 222230.6142 110027.9852 154237.9181 108986.1979 149237.2029 136484.7034 126649.1258 139074.4757 108930.2643 149529.6122 106271.5399 128073.4821 130943.4708 228002.6775 303225.2935 297901.7087 281071.0574 134029.2866 168682.9345 113740.9561 196363.2382 278316.5434 251592.3576 255499.0661 233440.1677 257543.0664 270806.2458 240340.0357 180430.9975 215897.988 299072.3439 261015.8461 253663.2784 310155.3634 methylmethanesulfonate 161413.4545 202133.864 164743.581 176047.46 207636.1389 322949.6183 238325.3387 221778.5128 196451.8082 223154.0713 202817.0483 143005.0643 122544.8803 167490.0394 136251.5231 167462.6419 144258.8443 162746.613 104203.1766 155983.4168 130662.0248 131679.7557 170725.5206 184080.4313 171174.8337 232690.9256 168069.3877 167205.2354 161598.2923 182976.7073 213829.7567 167719.009 234700.9632 166919.4602 169902.2611 125744.3081 193979.4106 112006.7539 238149.254 127849.3724 161582.6022 198052.4116 124051.5928 122105.5188 133517.3485 189889.3245 202107.0114 187896.9537 231284.4342 206655.2784 206537.1486 172977.446 190646.4196 125460.9907 135203.2278 257759.9825 210795.3818 236026.8649 270679.2961 253288.1377 328485.0872 300569.6538 159522.6598 158443.3507 181752.0843 150503.2701 193973.6774 170432.5302 methylphosphate 81459.8098 89553.5639 90508.56154 85013.05025 119610.661 113717.2957 86903.00324 110974.2327 149569.5305 151447.9484 128771.4192 117878.6691 124835.8966 116754.4508 139131.7314 75003.69093 82383.86221 72120.51329 74274.58296 38092.12469 49556.63534 38497.48391 54603.20648 91981.64537 108649.002 117251.4818 110720.7015 99495.91346 97531.3558 88299.58779 76538.03966 93937.26238 83290.43977 86362.78029 75275.00029 194431.5781 174037.266 227367.0477 164521.3431 427384.4634 490430.5611 429837.4225 528342.3583 175201.7021 152550.7455 174194.3998 164048.7076 58314.7875 50767.38439 59695.58287 63929.19654 456634.2022 479930.9486 418243.5298 388195.3539 98194.78584 88187.56129 80735.59812 99661.86614 104256.3969 105487.792 118265.6766 129234.6528 132787.1079 67691.68983 56803.49394 64321.45922 63208.06075 Hydroxymethylphosphonate 0 0 0 0 0 0 0 0 8098.847406 0 8069.820329 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 31326.87417 37136.7419 16597.69567 54281.04662 155410.708 159174.8044 176769.7896 126414.1707 23613.0291 24827.72149 31885.20995 36015.46534 0 0 0 0 81314.9768 94018.54331 69383.22648 72856.22819 0 0 0 0 0 0 0 0 0 5963.58045 5996.012089 8323.668015 5009.218291 Orotate(Fragment) 280097.7232 266243.3494 324928.6155 289887.363 141466.3257 185154.795 179321.8917 190860.1266 225520.3009 236004.8395 237357.1955 304712.8637 253286.422 326803.0805 260198.8504 415313.4525 368154.4189 427922.6645 286967.4971 246413.143 256489.7728 211514.5323 264260.5917 249660.1758 240633.9331 265409.1874 212583.5583 195850.9579 237937.6021 303399.8294 273583.3732 199760.8819 287543.5874 255505.3263 332471.5649 327070.7691 320942.5911 254544.7333 276121.2079 279948.543 290272.6661 277789.209 278472.1994 310859.39 293065.221 374935.5626 331820.577 142293.9216 185087.658 182366.4309 179551.9008 295782.6918 287600.6871 280068.4162 286885.916 233820.3697 294182.6225 226508.9724 312194.5503 308511.9246 272380.7496 253864.5331 292587.7723 349369.6027 314417.4291 323826.7112 312641.8928 359913.5271 Uracil 781736.8113 849926.3203 868895.9566 778457.2541 305062.1172 259518.6431 241973.0636 230074.8566 326606.5723 335805.3942 367393.7113 410858.3833 464240.095 411029.7142 504141.8856 279171.6675 260110.1658 291151.4567 264657.0901 235983.5184 243608.1947 224686.5127 272029.452 385142.5304 357200.0624 353418.546 374635.9487 362274.7655 370881.5792 503321.6175 477360.9916 599760.0544 555514.6498 572704.5297 564017.7501 760108.5672 731676.7702 855663.082 619423.3224 931960.4102 869585.5686 836909.1248 1017952.969 797699.9196 836548.2857 815703.7328 655078.2567 403134.8284 416713.228 424576.2966 415095.8696 789827.6274 713643.0547 858815.0945 680802.2317 476871.2594 462631.1939 410513.6072 425486.8788 435912.9832 419906.3686 265015.2067 299439.1578 335109.3464 1250745.566 1218688.379 1221249.041 1413601.831 (S)-1-Pyrroline-5-carboxylate 4431037.087 4233106.265 4216789.892 4739210.068 5951781.394 2938806.897 2728293.812 3548278.619 5935368.309 5877754.059 4145804.796 5661173.78 5585119.067 5683335.966 6007087.268 4722107.622 5096947.919 6089557.349 5517493.844 6671538.699 8241537.446 7390202.5 9090531.964 5971385.863 7033619.769 6910717.547 6774585.763 5058230.978 6352342.159 5965911.739 4255922.486 6202788.013 5948771.841 5672062.388 5639253.741 6362514.335 6590690.228 7267112.928 6372446.001 2782922.378 3733793.962 3795853.595 4094955.838 4936364.558 5555568.291 6385325.232 5943702.217 4557430.846 4556679.582 4585719.681 5518284.22 4331023.321 4715075.056 5165344.593 3500731.322 2447545.856 2102915.927 2037266.778 2722028.87 3188511.854 2933361.991 2709586.772 3149960.09 3399057.613 3912714.861 3929631.815 3293210.041 4238326.588 Creatinine 713310.5786 1050317.912 1056746.119 837456.597 1585001.396 1010486.953 1130472.549 1305220.211 1059516.136 1045420.663 1301026.781 2552349.313 1757129.937 1564311.514 2146436.825 1087027.696 1373952.588 1141813.099 1562442.716 2385180.483 2153949.216 3091509.644 2480686.705 2396531.84 2063449.49 1576737.382 1067902.681 1911359.623 1453964.094 1528489.733 1047630.556 1939929.893 1600782.745 2007931.967 1903821.862 3181454.498 2547686.639 3364283.976 2518832.109 1550205.408 850730.25 733957.2403 1279987.17 2232488.72 1938430.885 1797992.329 1343984.44 598756.2446 535429.0629 629501.8022 622818.6878 1188745.239 1067913.413 1432381.377 1405837.429 729299.5866 948024.3059 890630.7104 748524.4983 1260958.93 880494.7316 651169.2114 912314.4432 1016558.843 479382.9255 505702.8922 341141.6638 569079.1629 cis-Acetylacrylate 88988.85312 91154.26567 89758.84142 60587.17362 438250.1169 398354.6961 468569.4986 434019.6701 372118.8215 350204.6389 382351.7241 580125.2581 520308.6969 502490.4005 523698.744 363470.1052 392061.9127 371142.3574 386823.9578 881779.9581 876519.3133 820867.4737 926891.8086 687702.6051 711831.6547 631151.3585 404197.1904 482041.0305 418306.9127 493273.6059 470638.2292 523374.5311 608252.2453 569072.7281 607574.1223 823612.7355 837055.1352 870655.7008 825345.8902 198060.0995 209287.3758 240333.3537 220388.3404 540758.5663 514218.9015 534109.3741 534676.0067 193215.8953 201917.1731 208991.5283 207971.8514 357334.2551 307368.7034 369406.749 291259.0968 295506.8283 313365.0059 298374.9276 399231.9324 408943.085 445604.3823 227909.9339 196964.1855 194043.5068 81532.73848 72899.52913 99601.39067 52954.65436 [FA oxo(5:0)] 3-oxo-4-pentenoic acid 60376.53318 66692.02503 66918.86905 68440.58523 135459.018 129914.1572 127034.6154 146560.7975 132920.3655 148373.7679 143463.5456 214140.1882 187481.4647 215640.2369 243709.3103 127676.55 148488.2018 136303.6867 141940.2284 292237.0995 307755.1112 272080.1449 331601.6348 221469.2497 252557.2144 210782.1085 139925.1047 159141.0006 142040.7277 179518.6914 149361.8907 206731.626 228588.6665 232887.4137 221402.7726 278274.0398 282206.7148 275256.8066 296899.358 112018.2923 111711.3255 92336.6915 93727.94638 179151.3075 192206.9084 197002.8747 182516.3072 65060.25615 81870.16238 79213.28099 80932.99174 120317.8347 142822.6305 122354.6148 111205.5864 106831.4926 96903.99731 100194.3901 112003.2412 120387.8859 107690.9802 92906.43987 91143.22396 91562.79778 42104.60295 40768.00875 45789.00207 43543.66352 2-Hydroxy-2,4-pentadienoate 48479.49014 53411.09666 45634.36185 60587.17362 542172.5126 570528.0392 466301.199 543953.8366 452514.8123 461777.1706 435375.8317 593915.5772 611513.9134 638411.5437 631302.0388 474624.4455 488755.9295 440207.6479 459122.3729 1010408.336 1068391.307 933090.3817 1303344.717 798332.5874 789618.1697 858899.3401 543595.0065 442864.6102 479701.6013 630605.9965 589153.605 624254.2053 790683.7177 721371.6966 736368.3501 1058532.625 1114468.023 1058224.618 1169467.7 246413.143 285843.078 262872.358 247991.6425 562778.0775 596862.5287 711298.3985 681649.8982 184302.8378 220987.2083 206504.8447 19153.8348 357334.2551 371696.228 345147.7158 346010.2277 372275.8061 353666.8784 366445.6301 501233.8427 492743.8246 508094.9844 238097.6029 225828.562 218205.9128 84632.16415 40973.62316 81217.05665 78977.18203 cis-2-hydroxypenta-2,4-dienoate 67477.83346 71572.14674 82262.36337 71865.24043 30260.43565 27492.79923 30190.46875 26718.64995 30404.87664 30524.15378 29946.95992 63892.54095 58037.71693 61572.36848 74366.28962 58281.12147 63391.06749 51154.24364 55277.74021 42861.56326 41183.73589 37308.15287 46822.9225 31530.7614 30518.3785 36476.14512 29981.10422 29222.71996 25248.71123 48435.90379 40381.3607 55486.93262 47685.4998 54912.52957 51229.21299 66480.93438 62455.24118 66120.13134 64392.57395 56368.02155 58583.05921 53563.71059 55572.24091 59684.05859 58337.77268 55408.64347 62428.77752 22131.32326 21872.61522 24140.88385 24025.44521 52809.68695 52094.74329 52373.83203 52926.84046 33681.11059 32005.49104 30198.00524 49581.59265 64108.8086 63419.60062 59065.65421 52949.03949 60964.29471 53353.43967 58538.07619 53037.78884 61327.28332 5,6-Dihydrouracil 34128.48031 22474.14731 34324.30529 35461.56708 18662.06251 34536.16906 32656.36016 30090.29891 30076.43937 30522.3043 33500.80338 52883.27348 44331.07455 51134.64169 57569.92785 28156.99734 23881.63991 25764.12429 30538.12293 38874.91212 35700.27858 42506.71385 47743.10683 47950.06833 48994.48084 43829.32875 34496.00625 41272.41522 30434.59925 35117.84889 34478.40799 34132.15431 42973.53142 39998.91622 38876.90901 60699.07742 56166.87854 68731.99341 57633.17422 50526.27117 41441.61873 38575.00899 41049.22361 48265.7334 55914.59941 49037.18586 37541.94145 30547.07204 31148.79769 32850.57172 35453.2756 44448.35765 36628.59305 47052.10449 44392.98476 20599.74829 24672.88546 25265.74489 28322.59804 26246.68554 27095.00583 34154.97825 35231.46747 42797.74279 27084.98252 24286.77707 25878.15041 28917.63113 3-Cyano-L-alanine 99431.237 81399.69054 70781.46209 99799.24281 101538.7348 138890.7878 175053.187 109773.3343 118309.518 98019.30661 88473.28547 67072.69458 58462.93158 109272.1638 73527.39779 105584.212 72657.28803 82525.16243 58119.63464 67639.42435 73524.50339 81302.92058 98559.44341 102775.3352 65376.57 129158.192 101685.1861 52875.19609 83459.47597 105674.8886 124002.616 64445.3776 127592.1186 85370.223 105079.1034 81042.4444 113379.4365 57181.88781 135152.6662 71165.51001 114599.9283 126205.6768 55901.26664 77589.78211 61964.95518 137477.6596 145502.3057 67819.60001 120685.4595 117236.5703 96653.70042 95498.02281 103905.1197 54899.78719 70134.22465 127357.1979 111064.5293 103040.4375 157122.3873 122612.0468 134269.8637 253262.9772 84423.3803 86335.24308 94998.10484 62732.80549 157146.2377 77409.83402 L-Proline 74113021.58 82240722.09 75927974.74 77772673.26 110584223.8 97246799.24 73442132.6 92423749.71 76522311.61 61701023.04 74665979.9 72865577.32 65773171.93 54493404.38 78688594.03 29641184.17 42091148.04 43383618.54 46485896.71 50150515.7 44568314.15 51369089.32 46874865.99 59623242.84 76662263.75 56228440.46 51581072.15 65126634.92 67437680.4 62044947.29 35490522.91 66120785.64 60766619.43 61761321.29 71289530.46 32638560.39 29799086.22 37190519.1 27305923.04 39477554.27 33178679.66 28666591.96 36524535.13 49710322.67 40771910.73 38525383.32 29355578.53 66773886.21 87044463.86 79507344.07 77565118.39 32539967.46 38568005.06 61212549.12 47295903.81 82186988.82 62485036.97 59526298.65 76680098.69 69981851.94 61866075.01 54596937.53 55633453.83 76282349.28 72965111.38 74457408.46 60697264.8 89273676.81 Trimethylaminoacetone 120562.8025 137164.4201 107406.6478 156828.8823 126321.5157 182653.734 304941.2912 146041.2217 161503.3125 148215.8707 180281.7571 99800.14609 96300.72888 144328.6164 80740.59183 130064.8824 115829.0168 114357.1253 96349.87704 133898.3886 96982.55443 108246.2374 131648.411 196323.7801 106555.0776 156904.5056 124403.343 88122.96097 152234.0203 158892.2127 186312.1814 89413.28848 191997.0221 128223.9283 203195.6525 116892.0612 131184.6709 73879.18659 179908.2382 137306.7884 151809.0772 197808.4428 81584.60465 102851.7876 93869.58647 159499.4898 179505.812 113407.8296 159866.283 173599.0073 122679.0799 138814.4028 136836.2806 86108.54703 109160.8384 194876.5477 157751.0075 235562.9328 267664.495 178676.0674 210070.4713 253314.793 126400.3905 154924.2158 163891.6613 77436.24916 203013.3607 114292.177 2-Oxopentanoic acid 496028.2503 596261.2184 448265.9579 382085.4888 494905.3296 810070.2011 460866.1313 308279.959 1230243.23 740248.8354 586250.812 754044.9426 883840.4226 2211350.051 684372.7666 658197.208 219811.3569 454491.2871 232177.1389 728978.2724 1160955.574 464196.6699 1738936.989 577910.2873 440243.8099 1437388.439 830076.8708 280347.2141 406515.4309 577299.1325 1183028.48 411474.4854 1475987.708 470956.7738 645078.4668 1520592.02 1970755.088 898459.278 1741145.215 531289.0118 878593.3813 935582.9186 698250.5482 578233.2433 620664.9133 1671839.92 1435958.113 455159.2756 537919.1689 257037.0095 367931.9334 1084828.805 1040109.064 316369.4086 284170.5861 303709.7457 230856.461 234308.4383 513741.7028 275058.3322 809029.2638 869042.8632 287044.3851 314444.4992 290311.3336 211862.045 877965.4199 304569.9035 3-Methyl-2-oxobutanoic acid 478979.1349 349236.6431 480369.892 456459.6633 295716.1276 222503.2074 249912.616 504818.8235 998219.4523 740248.8354 586250.812 507522.4777 731099.7362 301945.7097 703113.5145 415027.5408 396005.3711 350444.0508 786071.2543 754252.2651 595383.5179 714038.8967 347586.3868 728909.3645 984305.9069 1437388.439 406909.0854 400567.9864 723415.5092 577299.1325 1183028.48 754479.6253 1475987.708 495059.3438 645078.4668 1520592.02 1970755.088 898459.278 1741145.215 531289.0118 878593.3813 935582.9186 698250.5482 830841.8816 620664.9133 1671839.92 1435958.113 379422.5825 297610.5422 484341.2413 269889.0886 264458.628 243349.0379 527934.0693 563327.155 341294.4012 329542.8422 389442.3027 513741.7028 519101.9836 809029.2638 869042.8632 546228.8232 427757.9227 360463.9556 754205.3041 877965.4199 485823.9395 4-Hydroxyhexan-3-one 371226.6514 443884.9438 382576.8862 422387.4321 615069.5127 611220.1062 463613.2148 452223.9686 499192.4589 442537.0944 395189.9971 294825.5227 330806.2165 415975.482 349866.3003 565787.9405 450125.6851 583008.5528 474489.2292 339352.9857 387977.1516 293716.8024 471680.0517 372973.6942 340326.2688 512910.9679 443145.008 307326.1823 321035.3951 408902.7097 467255.705 425942.3322 502322.2894 419479.5971 445933.9221 370426.5068 365440.5778 344203.1398 376961.1778 401003.7462 492095.851 444390.1141 445499.8586 354252.2109 384389.9918 545928.4753 428301.4765 570694.1825 495482.1967 442989.2092 488745.0512 505614.8193 455714.2164 433699.2818 369464.7001 546290.4872 460446.9723 624834.0587 576577.1225 457914.5712 739650.6028 449596.0215 328505.2815 338241.7652 464427.8386 368906.7443 614582.709 521069.0171 Betaine 46171771.17 74588169.62 71613885.26 53767557.05 38560238.03 45995107.75 40028506.45 41314879.59 21443065.34 22226259.71 24385132.17 31143561.48 30745623.59 32611062.66 40554890.77 25788900.3 43574880.53 36899912.91 39381968.87 32093046.87 30245642.28 22608551.29 26818953.18 40413641.72 34920310.82 35467170.13 30908502.38 46211968.67 34897186.77 35115304.78 31901593.63 46991955.73 29558084.02 31481117.94 30040969.07 27309815.83 19387357.3 24854747.58 17519985.31 23886224.47 20338985.13 15660453.01 22811352.27 22758942.91 18297637.99 19653151.63 16540452.88 58111782.58 54322903.29 69720132.97 61044755.51 19697784.45 17833673.65 27636556.83 24010751.73 36637573.33 40726854.45 36155696.41 39966596.89 43016367.71 33299945.39 25114591.26 27036818.68 28056727.94 78265995.54 77872885.91 50510311.26 59423939.19 L-Valine 4087998.692 4546944.707 5242905.486 5026956.762 2677121.213 2426920.978 2590408.54 2807191.278 2371361.442 2806993.987 3622152.156 4674250.221 3235025.032 2836296.452 4037729.666 3965131.436 5145452.305 4204515.286 5596192.95 3840595.85 3715297.483 3572627.883 3527744.696 3651008.019 3569984.585 2850614.327 1882966.913 3268462.567 2845571.221 3452174.342 2364216.47 3489208.295 2724493.138 3104957.786 2850361.093 2894968.077 2686842.089 2871568.834 2498663.804 1857796.615 1739008.084 1475882.068 1687685.206 3191784.152 2899509.348 2093376.433 2252446.649 1974739.921 2524772.926 3360123.045 2360901.386 1396484.447 1875513.339 1919817.208 2132016.23 2476743.632 2247672.139 2298304.033 2410188.53 3726004.258 2336249.897 2422913.813 2994598.037 3575028.462 4055871.214 3990320.751 3990963.654 3959967.222 Succinate 65226787.84 64804526.6 64789780.1 63818479.69 45387611.85 35646208.5 32735176.89 38162790.68 25086984.94 28593157.02 27190501.35 47048230.64 47241563.19 46526532.39 52660828.31 30497247.25 34828667.95 31560390.63 37243893.5 22982233.06 25364731.75 20993654.77 27401973.9 30546414.91 31671909.81 29555975.11 25991240.64 30378100.34 25198488.11 34522140.84 27913894.42 41433767.42 38410505.12 41002654.97 40093139.5 36385333.9 31354861.81 40182859.72 30304839.45 36943003.12 34542187.04 31055474.62 44567844.31 37956526.5 39512290.72 38525383.32 31143735.6 40535281.05 39368127.56 41128280.33 41603108.95 39492126.68 35452483.76 41273015.79 39578162.18 25038032.74 25217175.63 22958179.85 31136767.34 37238049.66 34279355.55 43240774.52 52427164.44 57611145.99 54983680.79 55945520.67 50227340.33 56760424.15 5-Hydroxypentanoate 81286.93762 134022.3934 99616.4623 79809.22012 112957.7429 85046.36591 74497.86989 74591.75657 80442.90304 116919.2604 66055.06441 112262.9801 144104.525 126103.6332 123330.8702 169046.81 162047.8329 160336.5576 149013.7555 123973.2316 159068.5865 105334.9058 140104.4433 96650.51169 103270.0687 133720.8506 88771.87033 97540.65906 85983.67985 89912.78051 119855.2738 105020.5808 110028.608 104538.7631 132535.818 151975.8727 108053.2892 174509.6217 123135.7172 78587.03458 98417.70549 64119.72583 117375.6153 108426.7577 101930.2015 77522.89781 100086.1546 119790.3624 116631.563 91046.46767 88288.22843 90129.76552 97797.74954 82607.80286 75357.35675 77522.93135 57420.15312 78392.55562 97397.54615 90310.47644 107116.5077 76648.58089 81571.86791 81397.50702 84617.79947 48867.07173 83385.40431 69016.20978 L-Threonine 6658620.297 6393206.781 6202341.336 6813419.95 6351694.816 5756010.943 5884566.564 5781740.465 4951102.879 5129624.524 4851302.277 5658435.957 4599969.972 5225773.014 5743855.762 3966276.687 4431286.564 3938524.361 3968659.288 3918837.22 4395781.226 4021900.938 4407325.612 5017288.537 4306672.801 4609536.182 5344772.492 5667021.363 5338160.117 5964604.999 5358793.476 6108715.315 5128879.354 4663657.845 5114132.402 3778471.218 3335580.762 2999171.704 2889770.841 3493566.165 3479999.788 3468087.281 4461232.645 3665176.903 3217253.135 4052040.923 3328138.052 5661022.374 6499461.847 5691151.634 6171215.299 4136464.248 4054605.221 4449962.017 3572956.52 5046089.792 4858377.879 4896503.414 5507026.431 5677333.596 5590742.523 4185546.732 5434956.89 5997781.086 5559094.904 6044489.989 5714869.967 6621336.305 3-nitro-2-butanol 30621.69951 53667.79998 101234.6136 55823.84896 41598.72739 45761.58697 25632.47401 67656.0968 87011.12834 102725.7732 115679.6598 47742.80869 52630.61336 54541.07698 63697.5302 24484.46583 36339.96114 46507.08264 79085.58125 23261.57236 18976.84792 20131.2787 25474.7898 39127.65471 59877.79479 27900.62087 37589.03993 63016.99362 91919.52279 29482.32581 31966.43269 62367.14188 34313.73135 34209.84114 36005.4261 36768.00567 34506.46906 28262.78118 30842.5697 65305.69255 52709.88432 45056.12076 102130.0831 47484.13461 57573.7396 41900.05559 38967.39134 52688.27026 54740.62544 56049.16373 65052.90703 46500.04801 52849.85852 87097.57855 68899.29839 27934.92573 41935.31838 29169.17248 26539.52253 73084.17673 31182.09526 32533.51532 66589.97972 51231.00955 45098.13274 58794.62657 24599.44234 43086.80468 Cumene 387564.2669 75273.2441 381237.8762 398628.2829 167263.8973 0 0 341249.9997 0 0 204956.9684 96132.76751 287224.9312 0 466150.9 0 0 282903.3846 68276.07458 0 237534.8368 272382.3132 45091.40561 63100.92364 161138.9241 93301.90012 287065.9146 487075.6723 75900.22695 507158.3873 0 367056.9138 389056.0069 96619.15369 0 328241.0113 250015.4554 0 104870.8242 0 0 0 38652.23404 63821.96686 0 143875.4884 0 563870.8312 0 501389.2022 400539.5977 271343.408 0 252481.2915 308925.7371 288956.1159 445878.4394 215471.3033 129682.9054 723660.1004 0 71883.43695 241342.8188 527790.9224 421806.7161 74671.19064 326604.7174 295765.666 L-Cysteine 21831.65876 25090.1272 23505.61524 22695.74225 44359.38515 43973.51111 50118.00435 38101.09452 19085.36423 39285.21701 34749.56989 48294.65794 30973.37778 40940.84641 55133.95077 14463.90888 18842.16264 15659.1752 16173.23215 100126.7281 83929.20062 105284.3682 127717.1387 89212.13819 73746.78578 75311.4743 15143.49428 40049.57522 37160.14328 45519.23795 44427.95895 52685.92941 46022.16892 56907.74996 67375.9044 126202.4812 119902.0537 124210.8663 133209.8814 28809.99211 12761.85099 10391.60265 12766.15738 44712.60515 35635.24301 27159.31232 29586.57211 25765.71436 21279.48201 23953.9629 28589.58108 21873.75334 17402.91947 21553.8841 25733.32166 39688.38457 53696.01702 44608.31483 42922.71393 42606.39304 44339.72789 25218.76906 24827.7997 24986.24482 23731.50133 23882.16573 23756.26082 26307.09218 D-Cysteine 14763.66127 42299.62377 67551.55723 61928.03486 34088.59366 77838.51928 68512.77468 105792.9953 20403.17139 26378.32914 79363.39696 88333.60784 6365.441985 7772.281137 11227.62532 18339.22453 48411.04924 21599.26152 73148.17071 59909.75681 13438.17562 43687.41167 15906.65682 91814.9801 95771.04609 21524.99914 16900.72739 90948.81505 75004.86768 54847.60736 24551.62534 91306.83395 22608.62722 63295.00046 45230.19937 20614.17057 8409.252205 13630.98937 7609.183145 56226.01108 11324.73441 8852.072621 4370.015997 87191.527 33498.97514 10496.24262 9142.210582 20687.45755 56435.50002 79707.46126 23974.04337 7637.255907 8162.150154 41974.0955 50082.35072 78156.85575 66166.55022 71401.64164 84951.99458 113840.8007 66443.94393 9098.098717 60061.38281 67090.52588 69032.53419 77619.08923 10744.26188 60846.93216 Picolinamide 194262.8604 237357.5974 271623.0397 237752.6692 540490.2501 354688.2448 224094.5209 444438.8015 385333.5923 399961.3264 305796.6382 526511.7742 644315.5628 528164.9401 605015.5087 278618.2361 415991.6382 549725.0935 840243.1009 651351.0094 696933.8619 644441.5668 751138.9732 600299.7072 897285.1014 445226.4333 349590.4029 695147.2106 728887.8527 406016.4482 385610.5546 560031.9109 454332.7427 431499.8407 441168.9261 555254.1416 576132.4589 536373.2771 467447.7587 244398.919 219059.3918 182563.5974 399813.9449 412592.9175 525567.4562 411040.5008 275739.7339 368828.4041 261730.1247 294282.9492 292584.8185 200944.3622 224392.8534 355679.9106 388987.8654 201911.0017 255349.0089 199815.9856 234649.4284 404446.6305 283079.2242 193786.4213 290789.5152 210032.5811 106794.9351 130796.2854 70738.59331 118845.6397 Erythritol 43786.63761 51677.84498 54727.84048 54100.22323 93761.30574 61465.12077 63836.86792 81606.78144 62613.33473 75393.37034 78225.61239 135916.1244 128527.214 127407.611 150828.3132 77006.15957 83884.47583 76083.92417 81424.38672 187899.2235 191711.7386 174048.3683 190949.5985 138681.8226 146365.5516 128279.7803 94387.1841 109028.9903 83362.55271 109321.7809 92750.3527 121144.9326 121000.4408 143302.979 135234.1162 197182.0221 170943.1051 217541.4835 161997.6538 71869.562 65148.31175 56111.42699 75509.45446 136481.1555 134615.6418 142919.8478 107776.8016 39283.16227 42532.32683 41479.29945 38765.19834 78766.40998 93121.58036 97612.35848 87076.79069 58039.10699 59108.33005 51147.93775 61910.08482 62518.42186 68267.84668 36685.72117 52680.65153 58504.23731 36961.87644 34663.09363 34530.86816 37824.71569 Phosphonoacetaldehyde 3729137.303 3803769.738 4097333.539 4489449.52 3901439.301 4162520.701 3755244.227 4729818.038 326687.3342 391609.5851 433235.5913 3628200.87 2755876.775 3457609.163 4199721.486 3891725.632 4024225.336 3971140.5 3894047.355 2927136.833 3273975.755 2876223.175 2901355.103 4608139.779 3481224.87 5441847.94 4236041.862 3482411.085 4321002.297 5373082.351 3137549.315 3800196.871 4871050.713 3887084.716 3801761.761 3566629.892 3280043.762 2456565.694 3005849.228 2940852.564 3515521.996 3226180.064 3580009.999 4337094.64 2895985.064 3531451.388 3679689.731 3263183.263 4717782.46 5321625.582 4327843.996 4095098.901 3954030.554 3782115.53 3049824.906 4186943.294 4377773.938 4874380.733 4140146.743 3970176.396 4680609.717 4303090.935 4601361.076 3398522.688 3443138.896 3242257.756 3990444.049 4782422.094 Taurine 2343361.903 2507633.678 2505591.007 2374927.632 2274304.956 2206198.258 1930020.022 1946244.912 1439517.299 1403829.664 1301155.855 1534677.96 1476424.851 1644447.623 1643648.487 2049224.675 1976935.128 1877352.912 1802385.983 1524873.113 1668541.664 1595635.708 1970750.692 1692040.451 1590695.176 2025454.935 1790871.242 1640854.103 1600734.75 1687636.357 1699990.232 1745866.65 1955976.577 1624356.311 1715466.575 1592025.714 1552707.716 1439264.998 1614017.5 1123390.642 1307634.259 1302241.901 1283846.805 1123256.117 1073495.322 1371779.083 1241537.755 2998467.694 3147461.987 2938475.97 2956530.982 1361077.317 1361330.523 1355426.293 1147372.159 2009322.108 1665608.956 1767999.12 2028125.097 1924364.656 2227322.551 1779363.331 1264714.244 1446002.322 2661577.055 2310975.231 2717961.618 2791090.761 2-Hydroxyethylphosphonate 717486.7076 624785.7444 612193.9553 613126.1635 765909.399 683111.9996 603791.645 600027.8447 546404.1237 509438.9319 552107.682 628646.0115 609831.9856 696443.8326 710033.4765 685764.9806 739220.6139 711281.6963 653102.1057 469177.3118 487160.129 446972.4047 444056.0927 508071.3484 496699.2429 548466.4456 565368.3781 567172.2087 557308.6959 562103.0881 504997.8656 539018.2145 569052.8057 579115.3227 538032.9618 408137.0276 445071.4553 467130.3244 462968.8671 540174.6777 558345.4435 565160.1601 570061.6267 533255.8824 519913.5855 575981.3655 531011.8215 650358.9924 668004.7076 620460.0412 628638.8419 597081.6684 625995.7189 666629.5843 583913.8597 567069.6673 559769.2747 591226.1017 545069.9283 761956.0638 592423.9334 632061.5117 606609.8059 627959.1823 599890.1468 560545.4271 611746.1023 643704.0236 FA (8:1) octenal 1846578.38 1000466.195 2136198.076 1745435.541 2182926.327 794820.6669 698156.7819 2630684.149 949650.5589 610555.3542 1714065.602 1580526.128 1471564.339 614235.2075 2068631.207 713229.6244 351300.5844 1756874.697 939271.4239 1080511.944 1528680.373 1595055.114 734554.8759 828639.276 1495946.526 1598875.168 1626283.091 1762377.968 992482.3366 2136946.173 1135466.942 1637169.601 2410050.077 1687370.98 688545.0772 1290210.826 987499.7563 499897.332 1148871.359 376948.8877 165207.5434 381124.6212 727889.3185 904144.2068 669839.0284 1163097.185 583492.8344 2289192.363 957110.2002 2080236.116 2082973.857 1394208.822 316786.6086 1530572.518 1390334.168 2291942.439 2602933.885 1251585.881 1356130.726 3031299.229 391083.3479 1456938.25 1613936.461 2233469.307 2163695.148 1494288.463 1105936.087 2318620.618 2,3,4,5-Tetrahydropyridine-2-carboxylate 593283.7843 668181.4684 981125.9157 723412.5956 561218.9624 407214.4781 443703.5647 478127.209 270322.0952 348014.0645 438605.1422 596730.5187 526812.265 401072.8504 620823.073 322375.0311 474976.3984 327680.9403 426836.3572 305601.7297 293157.3131 300783.5608 267513.9202 437452.5443 432279.3397 327289.8701 305530.546 489153.4645 463519.0791 385439.1465 336377.1325 538119.9716 385132.0587 610276.0001 376690.3549 294309.5539 241431.2953 265616.2409 226505.7144 337208.5177 272814.6407 275661.32 337707.6896 401028.2021 332970.0656 276754.0787 245148.3013 704215.4115 640654.8432 940137.5041 737644.2129 273019.9526 275232.7894 474391.195 403043.8848 412327.6405 486366.0585 441410.2736 471017.7206 552905.706 393380.5748 329685.45 568010.4145 599599.1097 741221.2029 1036306.92 501470.3849 817534.5446 5,6-Dihydrothymine 653479.2576 735413.1377 1084880.552 839142.932 1087503.287 726136.5728 810937.5758 1154263.999 442397.6361 315624.3917 413800.8905 990656.9022 809326.6841 598679.9564 1317414.939 400979.6126 765070.3087 586269.1178 927089.3946 1020067.851 971799.1877 764962.2073 705412.3665 1118933.285 1096215.25 850238.9888 958341.7617 1363267.495 1152571.368 818878.4528 553220.1567 1037492.423 746944.6927 740707.6544 767755.0969 640112.0569 592575.5857 767529.4142 543947.6992 609703.0321 617964.8393 443475.1223 490646.7223 636290.6797 565145.0483 516552.3011 396312.2312 637842.7783 802325.1558 1032007.663 946923.9054 418783.98 392005.4317 729960.5573 651417.5486 625397.8068 1247076.507 710773.2621 966158.5934 1072158.728 958669.7201 649370.7883 952724.305 691254.8111 834873.0147 866311.0935 700908.9164 745369.4746 L-1-Pyrroline-3-hydroxy-5-carboxylate 5303779.754 5610088.152 5788871.549 5186360.492 10866101.99 13248980.31 12302150.01 11235700.83 14015075.39 12386509.32 12084667.27 15682743.55 16215157.65 22732141.4 17856257.88 7854178.66 6287162.201 7666834.591 5495834.451 21176486.17 23124313.81 18994259.08 30783494.09 20154335.61 15835954.91 23356429.11 13948966.98 13111302.74 12689886.1 17557652.39 17014183.27 12848798.96 22656196.38 16212346.84 21490847.11 28975048.51 35423813.34 22900565.95 34724295.2 11827905.37 14884955.6 14200580.27 11273818.61 17069207.18 16043581.13 28113117.56 24885185.86 5032211.678 6134879.753 5273728.18 5938227.815 17187282.51 16544492.42 11575838.5 11543630.64 8550780.998 8186643.931 8672942.533 11770231.72 10210844 12003015.1 11802607.62 9965494.066 10883214.75 4860373.41 4092065.433 6154292.343 5046516.959 monomethyl proline 179034.0916 215089.9714 66575.56802 142939.2147 37001.87193 131153.4327 164250.4859 60997.8015 177293.1563 161549.6188 113222.475 102135.4393 111227.1193 149396.576 107632.744 154606.4637 45862.20791 122033.1057 55437.09903 106706.5017 107192.6091 76378.59763 159618.3564 123712.1357 55155.99648 216362.4433 178370.7846 68752.51688 128762.3765 157181.1387 156963.9615 33133.44555 213675.8302 58788.68242 102701.8048 280680.379 225295.7895 117214.8388 218971.2082 256572.6849 368978.4135 286206.2255 189533.885 213348.5026 138555.352 282603.291 287127.8031 132133.4396 160069.854 158121.8113 147631.5094 233382.5216 334995.6892 80397.43705 150388.977 54443.54227 33660.76046 64180.6733 71149.08063 45222.35598 118483.0217 117943.4608 43878.21932 97809.26538 95237.04252 59930.42759 227431.4972 72150.62597 N4-Acetylaminobutanal 320046.9836 486900.4921 404539.45 403133.6638 261174.6645 215452.5064 255277.2416 327415.0383 152857.4125 189186.5836 234385.2744 346526.5626 299953.1499 283143.3275 285127.2693 184558.6562 288644.3427 228408.6583 300855.7191 181752.2071 185894.6284 233676.2235 229568.727 253036.5519 261180.1202 230480.1071 217323.0554 342704.0191 269367.2491 266095.2492 214149.0218 338206.4426 216941.192 231485.7212 251257.3035 177370.6579 172792.8138 183615.1539 145986.634 205419.5384 165833.5851 168414.2992 159710.8644 240637.0085 206542.7307 150654.8293 144985.6028 316320.1037 400582.0818 432399.811 373163.0144 189301.5474 134248.4926 210505.0511 248346.8248 196956.2207 234779.1231 179741.8949 209156.9263 232946.4116 228592.8772 191853.9456 312541.8869 309455.6622 378303.0224 520197.41 337947.5631 484427.1439 L-Pipecolate 146013.8891 153990.1822 207612.5655 180495.588 136497.1725 103528.7697 151684.7973 131284.2831 97043.13025 91469.17106 169984.0965 231917.401 142809.0892 139339.4458 167301.7279 130541.0759 146009.2094 105562.6162 138352.5293 106115.6775 99828.02901 112720.5942 97782.27679 145689.161 142420.7112 127257.9253 115170.941 188881.481 184189.2779 131005.7504 118278.2426 148355.9074 106300.4165 138965.7607 107850.5723 89028.15229 64494.91065 91191.99064 57202.83217 89196.37529 73319.59135 82496.68785 90770.3202 100247.9614 96838.71595 77936.35832 78405.65824 168390.1776 161294.456 189670.2574 179669.1613 72994.51859 89578.92545 104306.3825 87935.37915 93165.67328 107999.3977 96462.95553 103832.7685 130293.2573 109050.0393 109142.0762 192833.1767 180371.3435 196327.2745 206350.5531 179984.4899 159606.9058 4-Trimethylammoniobutanal 46420.61577 55589.70539 76170.51359 57199.02772 114942.2639 98938.88405 202735.931 103628.4847 138760.9839 133527.4477 87294.72695 83409.83547 31743.00824 69844.03141 38045.84654 105138.0895 93608.16426 85981.19206 73567.39081 45576.59604 67834.00433 60415.14726 163285.0283 115718.8291 102059.6079 134171.0386 111933.0825 62418.2195 89101.38375 138403.691 89260.46166 71118.36163 54041.00658 103211.1025 62276.06175 94429.97841 117153.6882 58045.24391 34936.04743 23085.98375 93909.9199 28664.66603 39538.31147 74872.68175 74712.47018 140452.8323 155937.7272 92623.09096 129639.5516 191996.8335 43644.71006 49911.28682 76102.04648 65915.00623 75404.80932 142634.8848 72615.65024 167802.9755 246413.143 115311.6335 85578.443 386564.8807 83632.55877 92155.74265 102946.4185 64092.99804 100127.9377 78861.52147 Octylamine 376618.2535 386181.7316 289301.6145 379121.9304 353877.5094 662195.6729 684425.923 434178.2244 590049.9152 542828.0991 439782.5542 294840.9419 273630.0395 505524.5837 296394.3032 436363.7428 279645.6272 381820.0015 236790.9849 315249.8558 313906.1338 276545.7183 421437.1479 434075.8074 320171.3617 549865.6687 403450.9458 250244.2585 365555.6793 468879.5538 526861.2157 254141.0324 585431.8946 344484.492 433336.61 327777.0879 484564.0706 215735.5831 602179.4052 325936.0535 467589.2913 522787.5197 268533.7473 305344.6978 265051.3342 472628.6461 529593.2633 338492.9866 552310.4244 457523.6988 387703.9873 385539.3219 425143.2645 219301.1921 217151.8121 553445.8654 391515.5507 517338.5249 593976.0016 488892.9769 662232.5147 800988.463 359193.2351 381929.7288 425055.359 246261.4958 544011.1294 381399.6552 Tetraethylammonium 62190.89655 83233.28358 87302.26161 38869.32843 92457.69655 69737.1946 74236.89882 93972.1782 102573.9608 52858.51959 156771.718 41778.8814 28645.99155 61119.45596 30921.21857 53326.18405 76772.5592 67286.17477 74105.67073 80088.00353 43786.85588 111042.6759 62958.30335 60166.85471 99575.7231 99389.88471 36144.46493 33579.16356 71853.61206 67834.47751 72504.05095 28557.1888 66893.16416 90155.05005 75845.17843 35854.15395 31638.9311 36158.52657 49124.67991 53611.01913 34405.24377 42146.91219 66710.19474 77226.9386 58564.92381 49293.79636 53180.43731 51713.80002 107925.3691 53490.68262 50865.19153 36634.575 35047.38835 32292.58606 30088.43203 63884.16036 76306.4604 39943.04158 101910.1264 63394.17812 59796.4653 90127.1913 107724.9666 60317.70992 74719.6813 92431.62537 31542.10928 79029.76349 [FA oxo(6:0)] 2-oxo-hexanoic acid 5720074.153 5724243.892 5416960.955 5860710.557 5893428.503 6331818.358 6448049.206 5974553.743 6649953.556 6162158.153 6341730.186 10356528.76 9125413.394 11047395.82 10063060.58 5752593.021 4905184.865 5490390.96 4842429.653 11655275.34 11202089.73 9381779.787 14109101.46 9816328.714 8283422.566 9841359.002 6250542.14 5806707.248 5904681.5 8065598.171 7754226.652 6358371.088 10331344.83 8174032.814 9134256.479 12655768.31 12326529.64 12152567 12116521.95 5385938.091 5323317.466 5409492.738 4709163.036 8384873.704 7557720.037 9940055.192 8687227.648 4296690.173 4896062.56 4550961.061 4316076.763 6350344.108 6405890.489 5044402.839 5526787.246 4720149.42 4284749.898 4925851.735 5380409.386 5316676.664 5753250.337 5300786.09 5051918.827 5595355.749 4138531.227 3792572.121 4361288.066 4178792.893 FA methyl(6:0) 133002.9142 152768.1501 126283.5836 138165.5753 195879.5785 178138.3208 164705.683 228092.7696 152569.0194 184719.2465 146156.2111 126782.6139 117800.8938 126065.3341 143159.9584 168956.6057 138685.1104 163994.041 120296.5798 157502.091 159501.9673 139911.5466 144679.4342 150831.6657 138309.3141 159872.4369 141613.6572 139225.4445 138969.2937 164411.4548 149048.5551 144538.499 172775.5581 154460.8426 164648.8106 121226.1025 126720.8199 141583.0639 139049.1243 114243.741 134861.1331 108375.602 117165.9103 102527.8797 124012.4175 144681.89 140589.8447 143541.6614 181777.8554 155265.6846 178983.2263 116680.0133 112703.1101 111903.9735 115497.3639 234508.2525 214777.9835 311405.4131 210452.7182 183310.2784 223395.8566 157911.9508 155180.602 156225.256 149601.7022 114160.2419 188876.8404 130313.5932 N-Acetylputrescine 131521.985 130108.1946 191654.9201 134712.385 221447.1018 144535.9429 180067.5102 172104.582 325386.7571 366089.4689 564731.7759 294291.9071 246413.143 241165.7462 282829.5528 102462.3991 133040.8261 115331.1262 152544.5649 245117.6735 256731.718 211487.7615 206748.6401 346761.0192 275945.93 207154.3378 249494.0208 307097.048 327421.5236 224658.4481 192387.9396 268734.1641 201052.362 286735.5657 227074.5761 242128.2912 162244.5992 248105.075 135803.2658 257342.0988 179421.3445 165395.4524 193549.0085 245452.2749 263966.0721 165673.5465 159283.304 144985.757 155807.6431 196181.691 157643.8629 208328.8739 190314.1366 284276.1539 254905.8952 123960.4643 207200.1386 157489.1507 148908.419 194604.5227 146101.8525 159477.245 231166.2892 232589.479 184114.7293 220129.6352 149571.9681 163843.3011 L-Glutamate 5-semialdehyde 7378702.506 9657391.412 7365993.24 11026740.37 8376758.797 9352246.038 10753218.96 8691233.914 8860779.142 11156321.73 10441953.13 10282553.55 8142676.567 8446770.328 6745039.495 5387143.972 5210159.832 4434378.383 4265505.879 7156736.32 7868723.098 5974684.18 7594155.645 9485687.391 7450366.068 8019506.349 9243161.545 9314040.197 9009316.972 10295447.9 9344198.755 9023032.974 9845468.447 7808799.52 10636220.01 6307107.048 6830524.404 4685013.66 6750110.987 5733836.726 6773642.773 7362130.921 5143282.189 7636224.266 6016975.386 6836333.174 8126641.152 6674154.208 9893074.329 8128062.727 9703864.723 5861106.18 7013320.991 5400641.39 5299362.221 9301358.27 10033304.96 9039707.705 10958440.43 9755445.763 9980231.14 9000041.994 7024243.485 8869775.093 8152187.134 7035883.552 9329552.317 11021441.58 Creatine 6048428.277 6580903.551 7922237.034 6312429.759 7546008.76 5584978.134 5095729.367 5045417.562 2981137.225 3904548.686 4162280.136 6357445.427 4098506.394 4092687.567 7180710.246 6374920.383 6077549.846 5792959.281 5714680.949 6681462.099 7097869.697 6454120.042 5975905.258 6203702.895 6443470.171 4811723.922 5456237.282 8310989.714 5941207.524 4528091.265 3494907.311 6832106.305 4612780.578 5306901.578 5393415.204 7189895.18 3963864.576 6534294.818 4636521.663 4421365.88 4308572.83 4069215.429 5460532.389 6638542.582 6162168.47 4726001.831 4179206.565 7488658.54 6250139.533 8197121.948 8791406.802 4279014.894 3796948.924 5383779.453 5018492.825 5398123.117 6445719.305 3636378.756 6594419.552 6116175.022 5390018.124 3008007.9 4591452.342 4411681.337 5464413.318 7718979.042 5420140.885 8520918.959 L-Isoleucine 2812793.69 3883157.947 3745097.154 3089784.136 1743280.835 1960405.33 2482217.085 2084775.983 1809160.708 1952026.468 2373924.986 2927231.242 2858013.14 2531503.316 2726122.078 3452085.608 4585527.976 4079273.454 4462274.679 2658170.424 3109935.154 2855311.034 3094778.058 2749973.805 2700241.864 2695274.43 1372774.54 2307022.2 2223772.92 2828575.762 2169793.038 3565904.436 2098291.249 2574585.227 2341900.215 3077483.614 2595763.097 3215560.983 2344159.237 1415301.619 1105686.956 1101069.115 1255831.942 2677949.734 2262193.501 2056555.895 1689770.803 1396907.702 1460735.2 1824896.164 1616183.323 1246659.019 1433650.099 1651353.21 1919544.824 1560708.461 1937766.44 1728640.104 1724079.599 2431835.809 1829969.321 1351566.57 1986907.642 2393257.614 3049818.228 3649783.987 2227180.018 2625924.356 L-Leucine 3471012.138 4211106.63 4783124.341 5089233.937 2156626.754 2129360.761 2438041.133 2302176.117 1975474.454 2339835.63 3062587.014 2732421.792 2667683.165 2672481.099 2726122.078 3624187.46 4398455.859 3384344.402 4151878.209 3587808.933 2306753.121 2369870.833 2489550.369 2582394.966 2700241.864 2060203.03 1501600.024 1810589.41 2005794.441 2382566.608 2802884.318 2882808.145 1980966.849 2136748.284 2387042.693 1569567.449 1598822.4 1502919.106 2344159.237 1359082.778 1164254.286 925696.0134 1106083.986 2677949.734 2262193.501 2056555.895 1689770.803 1747059.365 2169220.736 2120623.62 1826320.828 1512719.359 1206714.587 1498636.234 1919544.824 2042052.97 2637936.943 2116938.192 2546410.338 2844165.509 2353753.18 1656057.649 2429765.316 2908971.476 3860992.263 4666277.21 3431676.56 3844051.277 2-Acetolactate 53475.15884 24277.63757 35153.70431 26730.16347 138419.0993 139191.8478 140819.7106 131529.0713 119857.3517 119251.3445 107413.0848 155118.2961 128105.9204 137731.7393 129537.3266 127029.7542 133523.4662 138551.6345 113820.7008 224333.6808 236569.5567 232494.5373 252916.2473 195297.3654 193166.8891 174980.1584 131215.3421 125583.9691 142118.4816 175430.0309 132203.444 150952.0595 147901.5442 142602.736 179240.3988 244103.4653 204524.8764 232106.6251 227375.9674 95270.00347 67062.9522 74263.67437 89855.17747 170091.3274 144625.1356 152620.8359 146987.0814 59385.44821 59953.70688 83062.49352 83201.10252 84285.19933 93425.78852 86629.45031 102340.8614 108155.184 112486.5957 115465.1562 110484.7308 133510.1151 131109.6081 130442.2951 77544.26474 67240.04528 42126.35704 30313.99008 36067.78995 33484.30912 4-Hydroxy-2-oxopentanoate 118803.0835 194180.0529 123440.905 141770.7796 86429.59425 129335.4325 113111.3127 87735.16697 143174.8458 118158.065 165762.2182 269954.5501 189298.5406 207164.5805 161226.6515 117606.9074 97207.66149 91755.83922 129669.4863 106239.9765 93755.91506 75190.48918 101759.6442 169437.6044 139002.1499 149321.9676 184030.6375 173125.4386 248809.9453 146926.5854 150435.911 100508.8614 128094.0059 119467.5455 160607.3795 105395.8413 83150.21197 95841.78836 94424.07672 196244.2232 173577.5791 147621.3567 186396.3557 130687.9658 145483.1067 135854.4443 95265.71509 112580.1467 144289.2004 127727.1169 119496.8403 172152.7522 178126.3045 170665.8143 138688.1778 76614.71141 59514.9666 92730.42547 151433.9003 80260.16558 104410.2878 188812.8109 276540.5647 264482.1189 134650.6997 99910.12283 146771.0754 113626.4059 (S)-2-Acetolactate 96498.6081 90526.75183 92884.6137 90206.20737 189998.9319 222459.4453 181314.7967 170610.0134 175028.3201 155133.975 160119.2281 214004.8136 215991.2523 207485.2471 217670.1952 160265.4253 161025.3753 147534.0846 145512.3553 314250.1031 315835.5437 302520.2955 360526.5682 251612.5286 259391.8247 250153.2129 167162.1248 183605.2452 181390.4499 210137.4799 177807.9352 240567.0974 238632.5776 218538.3341 239361.7657 277688.6844 310990.5267 308365.9869 302700.9789 119920.5715 67062.9522 74263.67437 108385.6206 193112.2743 184790.4192 218153.1963 204577.0896 100879.3621 114717.3996 115004.679 112205.5224 126657.9007 125996.1717 140452.8284 128055.5251 158376.7522 152827.1378 153389.8868 187758.6887 179350.2646 170870.5234 135393.1795 125182.6776 147333.7351 84743.56554 81462.87828 86082.24439 95670.46842 L-Asparagine 4390956.509 5537649.477 5467372.66 5674033.698 4873941.486 4822304.917 5483916.833 5175659.624 6393836.462 7831747.899 9092629.894 5901832.137 3993706.286 5281540.587 4623609.376 3607402.738 4754622.33 4216982.117 5532378.297 3744881.415 4024855.631 4002691.36 3832136.608 6855008.62 5664078.881 4844306.501 5128390.898 5642834.95 8430340.013 4865904.946 4516676.807 6462861.419 4885546.553 5402365.709 5246973.568 3685979.615 3302154.624 3608767.976 2882717.271 5732170.834 4420063.42 4394493.655 4450390.33 5933303.207 5156206.431 4157929.436 4870545.713 4093848.936 5351603.882 6744691.574 4984756.583 4057149.767 4723044.882 5532156.854 5565145.412 5278120.565 5340316.601 4724246.953 5676392.244 5382963.924 5557822.915 4772663.362 6351893.698 7488086.579 5167063.859 4618478.287 5227992.304 6008944.598 Ethyl (R)-3-hydroxybutanoate 2208911.812 2220847.978 2123920.766 2040812.886 457121.7654 429586.786 328496.2811 272396.4873 623060.7609 572203.2992 542591.8494 875685.3777 891222.3556 1303151.873 926896.4043 1184165.04 740584.7693 1150610.558 867825.6526 444273.7538 519671.3939 320146.891 682911.5563 278295.9801 291409.5877 431921.0181 292580.9623 260109.0138 293939.2308 512370.667 631075.7467 486376.8476 674988.2942 427884.0691 585224.9051 752531.2902 798647.0003 654917.3316 832559.0734 759498.4133 863059.5524 887311.5629 832428.6859 496563.5909 459970.797 687598.6174 651096.627 532553.2793 641281.7536 473778.4419 505174.2185 661980.8593 730673.6759 438116.093 438316.6438 340756.6405 246413.143 345498.9976 396819.2929 316574.2633 528916.7342 1580616.693 929586.8108 1176255.479 2314008.474 1768547.033 2918066.634 2161132.255 FA hydroxy(6:0) 293052.014 240902.8209 445093.3372 302032.0246 47235.8446 39765.00046 31981.14083 85017.45773 44139.6423 79744.14983 75409.92538 149155.8368 152325.0418 64962.18122 121965.6656 157467.1691 196114.0136 140036.5104 374282.8095 68812.16589 53089.78507 77769.7397 36788.23629 57710.64346 71939.08234 37446.4349 21600.64216 31432.01701 41362.01809 60381.68782 34176.40728 111395.5906 45970.46923 69186.25045 73673.7029 46110.27645 29618.48209 101409.3358 36574.23634 126479.2627 39548.96662 31987.28142 128089.4309 95407.96042 70730.0614 34391.03509 30930.44315 93429.02662 80475.86621 140233.6126 78351.37024 50457.84903 46527.97313 102276.9934 108594.0049 83694.83515 49592.96514 74848.24699 46878.9066 106509.8005 43899.08897 54532.95247 320876.1001 192377.1705 358541.833 694619.8667 152519.9062 515887.2175 L-Ornithine 1651552.345 2491627.735 2892191.076 2329934.14 1914445.501 1519519.43 2226494.293 1780981.313 2902135.121 4702816.959 4993004.172 2853524.937 1846642.345 2202732.551 2973349.912 3493122.865 5043445.697 3689346.258 5060301.602 1770086.46 1384910.053 1660327.597 1363611.715 3001135.666 2700005.136 1300223.303 2098910.219 3047226.886 3142333.272 1712667.282 1121187.074 2582798.615 1228466.606 2322779.602 1497513.712 1143373.107 1262373.065 1232830.441 1171485.951 1575483.235 947789.1085 1034032.589 1252330.301 1944570.124 1240964.62 1181623.534 1035126.966 2747147.48 3481324.159 4199115.221 2474404.338 1053704.495 1022141.705 1964512.824 1231324.944 1379511.083 2194505.601 1911120.172 2305601.329 2083184.617 1336920.576 1082749.335 1976952.113 2296712.267 2954308.508 4254603.224 2709055.992 3309048 (2R,4S)-2,4-Diaminopentanoate 167219.0079 162403.3585 152153.0946 160651.4348 169885.2091 170260.465 122684.3776 116029.7294 144737.899 139238.1114 100871.2555 106773.8234 130351.9128 165242.1201 167296.5261 127041.5753 98781.71745 118264.8317 102944.1692 117373.1498 129675.2907 108852.5445 158251.1181 118255.0066 109480.2374 134227.1093 129203.1691 117318.8331 93287.85653 116143.2588 112796.6827 115604.1361 146206.7604 120629.1488 133011.3463 102898.0248 106249.964 111641.4517 124797.5016 60269.02819 84451.23545 90047.38709 91659.52412 77138.86119 88566.95916 107226.1636 122549.7963 157810.5323 153984.2009 142033.2326 172289.5518 97156.12335 121706.4295 92349.54708 73100.42235 119499.2054 92621.11352 95393.91157 130196.7806 142528.0833 124768.3864 124018.6583 96862.97751 85608.42655 131046.3258 119709.176 157489.8153 182163.3623 L-Aspartate 1414613.405 1357533.626 1333556.925 1422982.549 3080221.143 3305412.341 3079189.679 2744273.613 4315989.766 3848254.895 3714559.938 2345202.278 2300538.302 2557618.988 2542529.482 3645492.997 3437691.045 3589925.545 3308542.313 2757431.715 2562938.712 2360229.901 3318426.264 3152873.408 2740661.92 3420421.448 2273693.66 2249135.261 2254869.713 2041701.692 1874464.7 1901575.145 2439376.16 1907653.455 2140956.751 1509452.758 1663625.54 1348892.342 1808182.046 801754.4692 965257.9106 1043441.22 891237.5552 1443027.593 1382570.438 1916086.458 1857133.178 2954054.23 3262046.245 3347421.114 3321959.898 1414385.653 1619315.025 1450045.137 1150675.863 3015526.555 2650529.351 3001051.684 2903071.939 3066458.368 3013093.527 1645181.12 1287260.741 1386977.981 2288952.442 1967979.494 2601436.134 2429899.522 3-nitro-2-pentanol 207415.1877 188647.3301 132039.1795 97278.43114 213946.5915 93227.77136 18586.82812 70277.95053 1178504.126 1291763.3 369624.2834 50822.2838 179476.7441 331961.8626 205906.4633 379610.9071 156800.0321 608400.2458 125463.1032 96920.57195 202116.7421 77801.01025 227023.4043 26541.22456 71535.64617 158717.2535 314317.5485 58939.99642 52635.45938 139400.6698 130822.7758 66822.85091 210292.3813 110710.3449 72574.03012 144660.7268 129076.595 156319.4158 106732.8652 77456.73521 181152.8569 159053.84 402656.3811 105188.6968 212716.319 371546.6141 300560.3785 283969.5645 126834.3728 37544.04503 240679.1951 435884.1795 317692.1242 144054.0468 147010.9293 62317.06199 19490.97292 21689.25201 59392.75439 60409.43608 93023.62444 100759.6037 64178.4114 53077.81745 43892.77842 35706.29251 265422.6439 67066.55551 1-deoxyxylonojirimycin 176178.7736 176400.4612 182530.1797 204550.8978 196132.2544 106604.6797 129140.021 143763.0284 81242.76419 131049.1601 161194.659 157154.4059 162672.5477 137158.6308 176678.9942 122674.3661 155127.014 103407.6557 136701.9545 96807.64859 93832.69187 92484.32467 126494.0887 130994.5788 170343.6364 90918.08796 123910.7858 144488.2578 167198.1153 112576.9441 92949.42613 197682.9902 111157.1628 159340.8716 154940.0893 79175.43887 67896.59434 106264.0172 79872.82752 100557.3809 90181.47288 90831.39474 151024.482 101535.0887 106267.1167 96213.85033 98866.07505 162555.8198 193963.5012 222521.0074 144948.9965 87098.85493 101899.8134 120016.0284 124582.3043 124136.6124 184038.4312 125503.9683 113474.238 144308.2968 108444.8582 93373.32047 147357.0527 148056.4641 184278.0758 225571.7929 122380.9044 223124.5643 (S)-Malate 32521783.26 31094548.64 31924262.11 31323749.2 48849378.85 39917182.8 39350057.19 39401111.32 36158894.5 33570913.1 37332989.95 59550040.35 63737502.78 65009675.4 64539779.52 40234964.79 43262515.8 32799922.59 35588609.35 43584163.4 41687776.79 36373621.63 50606198.61 68545735.17 70571511.86 74827078.46 51480719.87 54881190.7 48584135.35 44843193.26 44396384.47 64532731.83 53714690.76 56871883.36 57540010 29224833.41 24892409.37 29434860.77 22728629.59 29339349.67 32042423.51 26808572.11 30195373.81 36159767.85 35335655.96 40868143.11 36806232.98 43226420.04 44992145.78 44977183.57 50165492.15 34374565.03 42220685.2 38485117.52 32717947.41 37486320.2 30907777.22 34231058.58 41050961.92 43786810.11 38849936.29 29263958.52 31196329.25 31351646.17 36898311.31 44059659.13 41738212.39 39860880.39 Deoxyribose 2097632.576 2221363.073 2173671.238 2272966.145 889491.2357 1037111.96 924005.8097 803729.1981 1478518.626 1375686.097 1387432.287 1935288.651 1821080.483 2454606.802 2000685.498 1241660.243 1115360.954 1159297.65 1055034.239 1050111.375 1081165.09 910518.7424 1376659.573 1264014.192 1211772.954 1433730.166 1577728.769 1529097.263 1444593.52 1459124.105 1493313.099 1441767.881 1639533.656 1257992.871 1472893.404 1163763.985 1222832.28 981761.8423 1227763.281 1732153.346 1934031.682 1906572.396 1638999.946 1417414.425 1245957.604 1886838.892 1734589.656 1893562.134 1916591.276 1965812.484 1795800.464 1834522.498 1752502.083 1497331.982 1450741.823 497499.6985 470971.8654 472422.4185 552872.7577 552621.4849 593063.9677 3138351.809 2550416.469 2737416.816 1957545.842 1763194.638 2429822.93 1953061.673 Methylcysteine 51422.02088 47022.55863 77159.04675 71477.08606 39766.24088 34330.36213 41214.31518 40283.09376 20594.58529 20591.92962 28045.84603 45320.27965 34836.54806 32238.61969 34625.33694 29528.24069 45428.22836 32897.77783 46610.65729 34572.17511 26060.93038 29502.50429 37785.5069 37118.94992 33427.05196 28110.17093 20546.11609 31198.80497 25408.49085 25974.9776 25906.35788 34287.67475 26151.40231 36425.67263 22722.44108 23149.02385 24907.13969 26342.58065 20784.66557 22561.9125 20383.91829 15954.46107 16108.67875 26923.81133 23502.4816 21558.05988 22797.50958 40487.93974 48802.56792 61174.32633 46071.92535 17573.83418 21545.66578 27318.37042 27562.67791 28610.16022 32750.77199 33048.40784 31738.28738 39303.24912 24821.31089 11735.57013 29581.14066 43386.57681 53703.8437 68615.23428 35971.43613 65183.86225 Adenine 1063268.785 985618.85 1288799.325 978222.5745 248757.5436 157866.6444 178186.8012 194195.501 600695.8103 632204.035 386186.8189 687337.5695 726200.3979 531781.2029 681845.1792 1233500.223 1119868.768 1135919.124 1571719.894 289630.5654 270918.4894 283323.3333 309626.6729 305211.3999 381961.0498 249847.0654 332752.4192 499794.9793 319226.3498 737621.6673 571346.0358 841735.4668 694001.7287 689590.7253 669417.2122 1346241.951 1188948.685 1629142.903 977539.7139 2161066.413 1509774.513 1327134.059 1735605.363 976079.2175 886113.7529 807553.2878 799405.5825 345476.0455 280779.1697 314947.5732 356176.0961 849110.7772 805619.4208 1093632.039 1036908.683 606296.8911 714844.7231 701982.1781 841984.0809 969188.0573 747187.6741 243643.7134 370365.9351 443054.5806 2887693.284 3341762.227 2567684.599 3027921.335 [FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid 326211.6652 294781.2855 321457.9306 296694.4236 754217.8218 567272.2427 454976.3967 532299.9729 573001.2767 549541.739 543610.0096 795341.9243 812260.4168 994821.1139 982255.1543 569190.9919 639116.5504 522257.6613 577185.6446 1178486.025 1259971.746 890106.162 1374195.144 867135.7627 841081.4702 861891.2518 741353.7262 674778.8824 524428.2946 776598.3209 572696.578 778608.7941 926575.6961 800330.1147 825131.7591 1430738.355 1400271.777 1234929.66 1105679.762 487034.8847 516115.3118 480905.0565 591406.6821 797774.9717 882704.7405 903204.591 836011.486 426906.5474 372725.1373 351770.5116 420314.8624 708821.0923 644507.2198 673002.2804 532976.5588 361932.035 370566.5703 366377.2797 401330.6629 458977.5008 415077.3664 346769.7872 389166.0292 468908.6119 259039.7874 246450.6706 280773.3085 230485.1939 allopurinol 261304.1977 254524.773 273622.3505 244448.1511 206654.0428 166045.3806 175480.9944 165865.5919 85494.19351 100917.4929 105864.113 508173.6445 444502.3085 402012.543 425330.1515 158142.5393 168350.6455 137987.0813 165426.5445 171507.3638 162973.9401 166566.8675 170033.6207 209963.2202 239431.4918 204116.6279 111221.6633 139403.1501 111662.854 198507.0923 146729.1575 238553.8557 223822.8006 259037.7844 231647.1582 150504.2493 121786.786 147570.9226 108961.9036 130766.7344 107923.3138 82223.46458 113384.8339 173157.9944 170481.1773 113235.1391 104817.2154 208371.1602 179075.3509 233302.7991 204507.2657 133714.0708 138212.1038 146467.8894 117754.7416 113865.5928 135696.6313 113790.1413 121270.6048 140969.4122 153317.6824 195637.1721 257911.6442 307219.2364 247628.9684 275895.3949 214156.535 282552.8231 Hypoxanthine 312673.0701 319167.3488 316622.1549 397566.8066 727451.5716 708470.9095 637128.3627 616138.4666 953979.7281 825954.7977 997844.8008 1243984.161 755704.3511 1086776.211 674381.0175 2014968.642 1926451.52 1681429.511 1694827.86 1547252.78 1531167.337 1314077.153 1626180.053 1353761.343 1022287.125 1015287.754 701666.7199 590966.3126 737896.6521 1148994.868 859754.9267 777323.0119 1018614.618 763259.1683 1402226.935 18567344.3 16993856.4 10870135.3 14843507.66 8141285.512 4753206.054 4857130.976 4207754.019 12502445.61 9612889.521 9454295.662 8697668.25 548327.7164 607756.893 623068.0855 553296.1026 5948721.732 6444768.972 5240959.061 5943067.388 648338.7718 767267.9257 654222.0325 931920.9294 929078.4243 1127323.231 251366.0407 456234.7792 402140.1831 1844462.002 1959532.335 1496548.542 2075603.572 Anthranilate 60688.15971 58615.95237 59429.37685 53174.43902 54484.82076 43624.38976 40435.67539 51443.13314 30454.80534 29173.68194 30593.91026 36859.94924 41327.76336 50512.12193 50669.47252 49287.66885 55468.97923 48802.54089 56710.04056 38114.85684 32135.66048 35660.28555 49443.80561 39949.03246 44086.5276 42467.33783 47945.06207 45604.94401 47263.51618 36799.93668 41007.67611 56676.33754 47432.81253 38944.53399 38030.73851 38161.5127 36190.89999 35792.0865 36204.9177 34998.61717 40400.16895 36744.12588 36262.4786 38774.43771 37957.13392 35546.81438 216431.1041 57086.83707 54884.72594 59779.34807 56795.95616 30968.38984 35939.16646 37539.78657 35440.51269 57389.05862 41937.14899 44402.16807 43800.98608 46250.2345 44961.25482 28682.23669 44901.1854 46227.61304 66133.88518 62660.75493 63905.34825 67833.77988 Urocanate 81532.03908 93997.89423 94695.55692 100158.4962 173173.5121 132070.3319 158698.6375 101258.5518 117778.4124 99603.51546 108961.3401 107519.8749 65530.63555 125762.9748 60802.10678 119722.1774 69554.27994 81279.00076 60815.78648 80133.92311 93315.14532 89856.71747 166750.3395 126551.7435 81871.60774 115437.0671 87889.58562 71675.77097 113267.2961 104258.8302 131933.3605 76963.82637 153906.5265 114948.0053 136115.1434 91916.37472 157716.3947 52088.41072 161497.3576 102073.6953 123549.6765 158748.8219 188554.1012 117252.6327 80762.18375 112720.7691 121445.7025 61895.93398 126461.3822 119222.2522 134685.847 84555.97596 83807.58172 65851.4073 70543.28144 144919.4395 176262.2346 139135.291 166679.5886 137426.4003 211333.0813 171039.9551 102169.2443 97719.18556 97531.46948 67785.25724 181121.6683 94901.6009 Acetyl phosphate 130037.191 131790.2274 130543.9798 137211.744 53652.04343 45575.54034 44985.53901 44761.8348 53120.61759 48859.54737 40402.19703 69274.85553 75498.25772 74288.97336 88352.81481 75841.6797 77033.17022 78283.19206 66019.92012 28508.00769 30265.31782 26316.24376 33341.14222 45100.50065 45533.82031 59925.03803 45643.33748 42530.57469 47646.01144 68614.21467 55331.90184 65361.62712 75854.24193 70509.26025 62314.66908 82838.35881 83890.07488 93543.2108 100757.5058 118214.7898 152210.2466 138910.717 128649.1455 83967.1757 93113.338 92502.98592 96551.86685 54581.70926 72918.33709 64116.92885 69321.38491 103264.5261 115163.3899 92813.37608 85606.38986 91210.53291 83710.52757 76793.82815 79859.14593 95897.11684 91676.29784 64779.85926 62963.33198 83427.32173 144209.498 121848.6524 163784.1721 155725.8515 Ethanolamine phosphate 230061.0845 192136.4309 239738.9525 236614.3778 225351.0404 189598.3536 221960.6522 188294.6569 522581.605 571521.3177 546061.7742 294583.277 325704.233 304612.1553 347847.7297 205872.4534 236185.7359 205067.1541 198025.2645 270297.48 286396.7269 246317.9314 314619.9174 222537.3737 258481.4096 260220.1313 249528.0151 260684.6707 209930.6836 285168.1573 301439.6121 326213.388 361439.4069 365821.4737 392529.7809 209291.0217 196923.2858 206557.9522 179347.5689 302109.4966 288670.7402 280451.3408 286274.0857 290025.8798 291456.8022 354349.8217 329432.037 159711.8456 143113.1594 145036.5369 154449.9208 319405.127 326877.5069 337607.7388 300243.5663 204815.0642 232531.7713 249024.9152 336284.7845 333465.2901 345114.0689 372725.137 360247.6277 372432.1582 244525.7749 207972.2645 193287.893 223203.6948 tropine 175884.0306 176454.5557 116522.7845 168401.3488 157046.2455 258229.2144 290925.9605 249729.6965 267699.349 206464.299 191353.2207 162143.2013 144970.3644 177265.2088 133949.1133 214719.5142 136968.2514 165070.0501 103689.8876 160340.9995 176858.2926 148013.9414 195302.1397 169487.0062 131899.8509 275732.4 183428.6649 116283.0939 149769.4632 245484.1187 217938.1461 117202.7695 278584.0979 145536.6132 205506.4421 141666.7034 218176.9568 96101.6048 322141.0846 106160.383 188550.8787 214907.7622 106732.1684 100127.9319 131171.1923 209527.9356 220338.5998 96155.21089 250924.3406 174381.4343 178778.8782 152603.4554 210443.711 112332.2152 113398.7319 285849.3044 235234.2317 305057.6954 353309.388 210036.1631 348346.7856 526490.8942 144660.9804 219123.4352 148759.2124 113721.4917 224527.7291 149258.1022 4-(Trimethylammonio)but-2-enoate 86978.68628 125870.0564 104578.1248 89956.82495 73593.02713 53968.67538 49850.30842 66548.55179 45227.72404 34917.69276 27155.68502 64007.61863 65151.91992 67394.72866 100758.8649 69519.21078 90427.54698 92676.05016 75471.42024 42228.55151 64760.27468 49827.39484 72239.00484 79085.74087 61161.7697 65928.85454 82494.41182 76939.91088 68890.88481 77515.87677 71541.00603 76576.53527 54217.26376 64660.6521 39005.49032 47864.75193 38118.66863 51661.51554 24469.03536 49751.14495 37904.02723 57803.35521 48079.46265 39983.79899 33899.1531 45633.2596 32303.42996 104037.5937 79138.49925 99897.83684 112233.6019 47633.90022 37447.97851 60114.6816 38712.6759 59317.34963 83001.79139 57132.04167 54767.65917 91151.96406 47641.96929 57753.65567 55066.63251 55324.51251 89186.90502 117849.8007 93384.1877 104426.8315 2,3-Dimethylmaleate 44909.55524 50403.52699 99468.56386 96891.50416 152519.0686 103539.9862 195223.1922 167521.7754 90529.07649 117678.0426 192564.7389 369518.9811 192642.3247 147115.6606 186473.9153 124206.067 166822.2547 136542.6393 209265.5276 331522.4311 252314.1688 312901.3886 264808.9772 291669.6152 447329.8922 150135.917 128175.0678 246413.143 282993.8641 185730.9529 143319.924 242570.504 169380.4812 311739.1434 239958.3967 218196.647 193674.6694 241579.4252 259136.4405 160634.7996 98190.72056 71042.7783 105046.7819 258984.4644 266285.016 187220.673 132636.3759 65110.39307 77656.78214 110007.7029 62386.57855 94320.84031 109920.77 220447.5827 167514.0355 76575.98734 184133.1699 184038.0582 101750.9934 181046.1207 102809.1753 65589.66407 102792.9542 152198.2793 32700.20878 41455.32289 24901.96425 36558.89308 FA oxo(7:0) 51684.37805 84255.66973 40116.0562 47412.41827 85720.11982 109424.0297 72407.53723 66611.91457 78712.94454 72212.10127 40436.70779 38673.44273 36178.39787 70779.80692 49551.49096 89121.6174 48775.46968 84773.19218 32477.40794 34704.11775 43321.25651 46467.09437 55397.96848 70324.55867 39881.05376 71261.48346 51189.50617 40395.88792 41133.37353 58055.71131 62894.93164 41884.78372 96339.32109 38184.49646 82565.03991 53582.70884 48663.39813 28670.05104 56742.74759 42330.99144 69339.7521 91324.76537 63353.82835 39005.87274 37014.00898 96411.37834 68937.5179 92869.78742 90143.96496 53738.03908 71035.50635 61787.9789 69355.33559 29804.90059 37247.92316 80242.17046 58945.52724 65119.71827 94333.27701 78877.22146 118808.0889 79866.02959 39521.15908 47693.82045 67974.10319 49162.1423 93190.3084 48774.12326 FA (8:0) octanoic acid 395538.2303 363499.3602 342752.7909 351327.0125 521831.7467 497374.6171 406471.0112 408250.112 414605.4349 427250.608 353996.3201 299904.4984 309256.6185 343267.2854 302762.0736 406162.6732 318335.3673 361401.0664 311454.0423 349899.4196 322515.0147 277387.0025 404202.5088 346332.6411 321069.7984 385981.8416 384014.8416 348731.7928 323004.5368 361537.0868 398928.8468 389867.0734 415373.9314 361190.0448 393875.739 301057.1808 306959.254 298557.789 314524.4041 290033.1523 349093.1496 342418.7705 341499.8297 303139.1766 313166.6016 358297.8194 352519.6826 386128.1178 391283.8781 363851.1536 368306.6951 322132.4615 369636.0559 317774.4184 249593.9905 572175.3659 427925.4283 737377.0411 500081.269 444897.6257 511370.6522 409417.3502 279886.7502 332704.7737 331413.2915 283466.8894 471015.2405 360183.5237 2-Oxoglutaramate 806731.2332 964288.0259 1000316.653 799033.1639 598103.4888 406511.5898 449373.7308 393735.6925 425365.1587 396026.2583 382500.3884 591005.8087 625472.8564 784546.5487 615960.9786 420552.1239 262469.5201 415279.4087 398616.0901 457361.879 458955.7175 470366.1514 548476.6707 609590.4492 712378.3504 532468.1927 730829.0926 628037.0881 571804.568 625524.7318 809720.8495 567483.9436 948003.6191 657785.3604 521095.3074 457629.616 452020.8729 485602.4934 624911.3394 655276.6139 509577.3649 539033.5392 512522.257 632227.4785 435927.8001 512746.4146 462362.7952 744928.4023 728370.9938 732276.6599 1006832.949 602760.3514 655878.134 450743.3024 583283.0827 344860.8842 326995.2868 331808.7006 353566.9973 414853.1808 352537.3857 491118.1525 548274.2951 618224.6335 819116.5913 819062.0616 1010296.069 888549.7684 6-Amino-2-oxohexanoate 101115.2342 97973.72522 146709.2653 111779.6011 108796.7636 78529.11966 79371.35512 74638.6949 70790.82464 81681.64009 73021.71155 112200.5173 89589.41503 72642.72715 105466.1949 89470.20395 128100.607 115611.9205 126123.7943 93423.86747 91765.26243 98070.58102 85528.23795 93233.39395 80921.14587 98048.63591 91932.26156 118998.6516 102573.9144 98722.77562 78845.21961 99920.4694 89751.34743 132666.173 86322.53508 95059.49489 87039.23955 94808.68654 78058.32896 71617.80498 60031.74586 65952.66448 71722.82563 86449.51007 75074.05676 66235.76785 61632.8439 120500.216 112538.3621 139973.7429 114144.3198 63402.3116 74365.47908 104152.9061 94930.39675 74066.82414 84444.26475 94662.94659 95537.86012 84510.18873 65503.09168 68263.85193 90007.0358 91998.44619 112704.1786 149036.7922 100470.841 133792.9962 4-Acetamidobutanoate 28118.4061 25810.99734 26154.07245 27321.54904 37157.38475 48807.71693 48676.19036 38056.566 49847.64309 45694.85121 42138.76102 56087.65976 51214.96231 67171.233 54401.89621 41019.91361 33759.48373 45272.41868 29183.23352 65689.15359 72411.05192 66161.81781 93546.65858 66599.60264 57409.39069 74305.29835 46668.20474 38661.08636 40880.79735 47051.07918 63555.69548 37440.42116 77853.74387 47107.76426 56965.59381 84358.63821 101585.1149 82799.16222 111091.7631 35490.60751 50485.62295 49395.93981 35798.40191 50991.69468 47051.85193 70559.93403 79063.78386 27999.62253 33030.39725 29760.98277 29448.54826 53383.20614 46255.44895 36781.72019 32912.05304 32006.95185 26488.4406 34721.4868 50792.22085 38498.13681 41317.03285 57968.86145 29400.25882 33192.1357 25903.21747 25156.29359 33105.42143 27436.93704 4-Trimethylammoniobutanoate 175630.6556 174943.5096 228587.546 198883.2112 206008.9131 182984.2468 188265.8539 210189.9073 174331.8694 186594.9309 202831.1088 238758.1194 209268.784 189970.909 224326.3329 102520.0413 137828.4135 133102.357 180892.9873 171567.3586 183324.2113 157955.4438 179824.5063 213447.0269 264701.5899 197388.138 303608.0472 334485.1175 301531.72 200850.9981 147034.4243 236872.188 183528.4834 190765.0131 188066.3777 136205.5859 102681.198 142070.8077 106954.9231 138957.9069 123753.1196 103572.1956 152170.4887 141137.4742 141013.3824 115481.077 118052.6511 212709.3472 188362.3305 228222.0406 203377.3459 133897.7567 130435.093 161148.0394 167771.3863 175225.7148 164367.9532 144864.3642 157819.3702 185991.4983 156950.2101 153192.9157 217308.2135 229216.0412 209724.5609 226200.5823 164310.6416 212264.8997 2-Oxoglutarate 4186278.147 5219648.144 4937105.96 5076496.101 15866432.11 11483762 11052164.91 12833504.83 4496244.658 5755265.952 5327467.3 8433173.416 6390312.904 6829414.584 8171507.841 1323703.991 1770252.949 1371791.091 1663377.633 5936197.529 5633794.976 3950761.286 5094159.294 8823599.621 9257942.868 8365567.89 9703653.071 11463434.09 12236675.88 7127879.547 5214020.389 8662111.655 7206448.436 7587085.812 7450828.164 5825219.103 4611322.427 7083908.401 4213678.79 7757262.61 7276573.607 6734740.658 8570739.291 8609468.535 9215114.782 8270421.696 7596384.78 5928501.406 5867809.187 6721696.576 6586077.875 6586255.01 8417125.47 9090972.641 9234904.51 11971301.62 12385426.97 11568262.52 10277555.23 11777569.45 8686950.224 2737789.912 4290111.399 5003046.771 3165316.179 3669013.125 2604234.186 3498010.157 (S)-2-Aceto-2-hydroxybutanoate 372551.7423 388983.6615 399670.4362 390448.5212 181632.2887 390032.3536 320139.5883 234310.2298 300761.547 383268.7326 445281.5162 632410.471 402976.5883 454344.3027 540014.7104 190114.7231 260543.6939 200566.4315 212178.7199 390070.9266 314221.9676 341535.4264 387354.8132 517603.8833 493064.6883 457241.658 513780.3754 686691.7637 714171.9469 495616.1215 385942.5305 537215.593 463673.0315 426895.4591 439569.8222 396502.177 425454.06 305063.2291 359472.0942 511325.7253 450493.1458 399428.3563 410149.4735 522444.168 448029.1435 459821.9252 467880.0513 258768.6247 355549.8729 406235.8259 300696.1656 376525.3526 380894.5024 398713.2039 485825.8162 218166.6262 193344.4128 213469.2719 271801.2993 222990.5101 257047.0377 509397.2413 553873.1696 589592.0437 381322.1228 463073.2934 397611.0776 397529.2192 (R)-3-Hydroxy-3-methyl-2-oxopentanoate 173868.1953 171004.2765 130498.7676 177490.0846 67122.49779 131354.379 68216.66206 87995.24069 0 116724.4641 79112.42263 86797.98081 0 0 201411.8502 0 66022.29501 0 63497.17977 62797.15634 0 62395.38409 49923.94594 93839.24595 86519.02904 147645.522 132420.0555 125799.3339 84039.76916 122117.9396 134007.3898 99133.48046 182089.4727 124733.6363 149809.998 68625.87766 96102.74494 97022.32206 119034.1564 98235.72839 212645.4389 181663.9715 165742.2132 58435.89036 109362.7882 184276.7269 146903.7272 0 120858.2943 90579.31564 78396.6769 142189.3532 196928.677 137325.5433 67168.71745 76659.67954 64775.03773 67534.90248 73705.02341 77726.97502 84638.00521 212447.9787 129950.6925 111520.3609 138689.53 95052.67349 178575.339 158301.2955 L-Glutamine 179556887.9 195672860.6 206291914.8 241026979.9 104814612.1 95768385.06 120085519.4 91185429.06 74139748.79 72698391.13 107575118.4 122798841 94763908.33 114722956.6 133165313 118778752.4 146811425.4 113464848.5 126215416.9 91928932.22 96017912 84589817.75 109024874.9 102451206 105573032.7 67762479.53 48771208.3 68923897.46 80036924.46 88025527.51 75500438.25 98170598.76 93625606.24 102935535.5 81457243.07 112403205.4 110938766.8 128853851.1 109539367.6 66896789.44 53744916.02 47644937.56 67247339.05 89089283.1 98117768.91 85250425.92 77188780.1 136238911.4 203231567.6 256226987.1 194416465.6 90184954.32 85193392.78 99394634.21 90370136.99 98879010.64 78775778.75 88533340.25 83960835.33 87830434.36 94186610.24 78837977.79 121319058.2 93655554.48 222429256.9 242498899.1 155634012.3 185527600 ethyl-(2R)-methyl-(3S)-hydroxybutanoate 75897.91209 93088.20765 62903.51801 63142.90887 89987.0707 78904.47901 64597.31414 51300.56356 49943.13722 92395.59985 43677.88283 153402.5222 35513.66032 59365.23789 30346.68011 414494.2738 384016.4221 444794.4524 461712.6771 73878.95955 57528.75065 19053.71527 63331.38196 62281.39928 53373.25244 43990.29843 35689.80247 16603.89429 53040.66118 23266.77182 68052.98941 59988.14029 37535.26184 61144.2442 51952.70117 11303.18389 25873.56243 17486.87574 32570.78159 22694.73791 32958.22599 28356.67228 22023.1945 79038.91003 27373.76209 28302.54148 88615.58107 104008.0806 133600.5501 124163.7542 121521.2064 16545.8372 23203.69258 18988.17369 15615.74297 141087.3584 64409.30674 254813.9509 90469.78484 36014.12966 65426.73467 44258.01357 33923.0394 60475.47831 159275.6859 153325.1803 206405.2758 156470.3729 L-Lysine 722717.9624 692221.6835 1111547.017 713515.6082 708896.7408 515619.5827 467977.2867 654434.3064 1088044.435 1335665.806 1570784.473 1209929.49 1133703.279 906353.4487 1217547.575 871023.1173 1226952.866 905674.752 997759.5963 1405990.843 1037204.789 1024757.868 1147445.632 921014.5607 948973.3537 655457.8139 514375.6526 885754.1175 647139.4365 855002.8036 670535.7334 1216370.442 684628.3369 904190.6761 727313.6699 956320.3311 759724.7862 1228247.58 792147.3431 626294.5976 568866.9269 474731.1635 531262.9201 935124.2564 729466.663 757354.5343 708475.7466 624242.6449 703518.665 674506.9591 620633.5802 521739.9965 614823.6878 718450.7799 747119.9359 476404.0066 545391.6839 394829.6561 444205.5849 570837.432 465338.3238 603285.8546 1041376.582 1143675.228 640841.2309 716409.6306 476007.2456 711782.722 D-Lysine 97245.47112 102378.37 123192.4037 107283.9096 69414.65633 74720.04071 50077.2709 91424.21915 43615.61536 33276.45314 36923.93122 34533.22097 34692.53763 41803.6545 43339.43078 170006.4701 236654.6735 170719.7682 198333.8414 31596.70374 39266.76578 35443.00447 35012.24813 45454.82528 44596.03168 45697.02646 51981.01519 64596.36153 60877.28547 51866.67128 46164.92386 51651.07776 45234.13112 46843.51279 46716.86176 158390.3229 109289.3268 145618.1627 105680.9262 189492.8126 146344.1467 150163.8577 210362.4709 149865.6505 158782.9019 136911.3706 136383.9969 128913.1134 156268.3792 142434.5752 124252.0322 168513.2938 126426.4192 179692.3925 194001.4526 72575.15151 81198.14616 83417.11697 69910.35091 84148.93852 77662.39866 65734.13696 52622.71694 42245.45006 98349.41183 138545.6088 98228.38476 119753.66 D-Glutamate 78892.4927 87004.3679 91289.32593 83507.90476 39327.06675 41055.9371 71967.40652 54686.60976 60161.86263 47604.93849 69370.5126 94422.17181 77220.75075 81034.62346 81066.41179 54010.3699 67723.95071 53793.9439 74705.69503 83497.01127 74133.78579 58570.89699 97823.16112 71102.10303 72363.95035 62088.59961 46574.86144 64199.95509 73763.49657 87249.40958 65567.60396 78213.32471 77889.50756 81659.01497 77752.75288 90655.7741 101224.9023 97095.74701 104048.7611 88545.8405 88590.83854 63981.04829 93760.94169 107933.8423 87222.81202 105554.1103 77990.89544 83172.77791 75162.52207 114964.3342 79849.89748 93294.22003 87916.78813 107305.4187 87418.91507 43485.74217 61657.43713 46477.08231 52579.0632 62136.46601 43504.56712 57564.41332 77548.6788 111518.1377 104106.7177 106217.3462 65323.78426 93044.52381 L-Glutamate 15848643.68 18308005.27 16315102.01 17369555.63 40483441.92 39588646.31 39180444.88 42665774.83 28730904.54 34149721.95 28916882.39 20861007.92 18110435.81 19014267.8 20958404.37 10522585.07 10386127.44 8539214.8 8552301.471 18714104.06 20003731.67 19224958.58 22504599.84 29496709.93 27530198.53 31718607.44 33316957.11 32240908.37 30818294.81 25980580.22 20868959.16 24687018.22 27157427.45 24876087.74 28076751.87 19649745.54 19267682.26 18625793.64 19571875.48 20890845.84 22838748.67 24419689.44 22152064.63 26053000.44 23932780.12 28113117.56 29504591.62 21865504.3 26841905.16 25292792.72 26895956.64 23077306.3 25031602.17 22848644.57 24010751.73 42861717.06 39387889.38 42891928.82 44149147.73 44043624.25 45216102.32 14317695.26 13431752.87 14377824.99 13823874.38 15847815.38 17119741.35 16348471.68 Fagomine 285029.812 226033.0306 298343.0636 290916.7288 142883.6218 96004.86074 116592.6983 129389.8987 101892.0288 147655.2311 144660.3121 187680.2166 181253.008 131477.3299 174855.3482 116090.1877 137055.4084 111665.5457 158923.1313 126336.2592 62686.67535 110649.213 66620.39315 134339.1931 168676.4707 110643.9192 102602.3746 148620.7362 122464.6806 130407.5538 100211.6287 208865.3026 121545.9572 163253.8025 143960.106 101321.4203 108673.4584 125200.0658 92434.37215 95182.90231 94489.78337 87808.25544 141268.7865 91110.51965 124419.9502 85367.7266 76727.11892 246468.0959 214757.6894 283133.5871 235430.9579 93374.39315 84931.23409 133382.8264 105305.3997 100994.4128 133955.0265 109072.7272 100407.6636 124501.3963 123109.4467 109968.853 179612.6625 162669.0209 262406.7421 292463.1717 234457.577 262025.2734 N-hydroxyisoleucine 443511.9258 565987.9872 606154.23 506420.342 316086.3726 263139.8082 217632.5302 274439.7868 199528.7304 236293.1586 269027.5208 306905.0033 309588.9503 313602.9695 362525.446 248434.6724 359086.4462 285918.5461 347202.878 391172.3553 287984.4981 247148.4736 264564.2908 258877.5533 302735.0363 287896.8464 223426.8731 311124.0718 250897.1199 249622.9941 232379.578 331696.6626 233847.9565 271071.6455 250856.2819 235910.7547 204143.1878 233376.6142 170029.4352 199829.341 170242.0636 172984.209 198280.345 261627.6648 236839.0158 211123.0255 195877.4261 534540.307 451790.9247 495293.7423 537083.7967 192626.7404 179204.9027 225185.9492 218189.6258 250704.3321 321859.3794 218143.3279 223913.2705 276380.4033 244131.5509 193361.5888 271710.8747 303433.6687 575953.0169 537099.6686 456168.64 425670.9492 [FA oxo,methyl(4:0)] 2-oxo-4-methylthio-butanoic acid 255893.6437 279317.1964 245982.2489 247248.2144 146913.2298 214902.5672 181572.899 126883.4076 283185.6569 254551.0868 202286.2873 418097.7356 315579.1481 563353.9829 350295.4226 241964.9088 106629.3262 201223.4132 122014.088 308610.7863 434095.5299 226261.998 468972.0298 240015.6013 242771.4317 367263.0198 230075.2273 157772.2173 191272.2313 298651.1627 347008.9201 156915.867 397429.3986 212925.5863 315489.7157 247676.5342 352967.7828 216864.6382 370558.3186 119636.3466 141040.3515 175756.9199 133046.3262 157412.8791 140021.7942 282932.7823 192865.9996 166818.6996 215291.2123 147708.449 167683.3988 176411.5984 174534.1555 85910.75207 97627.09191 139647.7268 114810.7549 121624.9424 149587.3937 147804.3799 215110.9392 291343.9658 177166.6618 190538.4283 166397.0437 87142.67847 262218.396 147288.7084 D-Xylonolactone 10443614.91 10171114.04 10667566.7 9262976.17 8947638.794 7679202.74 7378244.275 7781409.906 7634865.081 8931078.962 7259451.688 5218006.818 4382574.196 4625372.545 4874417.164 2626471.086 2875413.828 2805713.483 3308127.112 2692634.95 2880671.785 2526081.504 3612006.057 3664525.332 3673213.084 3885513.191 4637587.965 5014804.982 4422738.927 4740926.195 3700964.689 4542314.625 5566283.857 4755179.975 5663726.154 4948076.527 5438016.695 5769139.887 6199475.606 9754181.698 8626477.732 8369918.233 11537533.66 7315845.728 6762170.56 8080065.955 6660011.861 7376306.01 9651127.787 8939593.528 8901212.819 8287483.615 7142450.755 7697023.503 7915632.437 6072709.607 6330669.289 5821229.341 6230206.898 6093050.194 6170434.175 8554455.64 8296655.965 11382444.79 7560595.47 6820371.023 7168300.282 7162821.107 L-Methionine 3079681.185 3578260.641 4395918.338 4160338.889 2228507.702 1466791.891 1505029.44 2044686.337 1500829.925 1588953.57 2125359.026 3090834.252 2653073.904 2408424.97 2673737.227 2450832.892 3268395.606 2575910.932 3081978.053 1988895.376 2168835.793 2076173.448 2405535.334 2030273.634 2197944.458 1827811.246 1225981.984 1379053.718 1352574.963 1865666.207 1610031.061 2704061.501 1632273.545 2038280.365 1796152.43 1425550.322 1463739.044 1406265.588 1391096.895 744701.9149 594118.5865 574166.9113 660334.3393 1216578.451 1315431.78 1048563.563 907971.7693 1809950.337 1852974.203 2158551.125 1768263.085 793078.8481 861653.8171 1010116.91 896604.5931 1595847.996 1687094.882 1562118.72 1779069.686 1870244.929 1757484.603 1540925.402 2175981.011 2542959.728 3172678.691 3767426.009 2869424.638 3084421.607 D-Methionine 23164.48109 25597.10123 26725.83638 27982.06138 22036.2242 22191.55346 21452.51266 22554.58132 110698.051 115251.8297 121809.8887 19577.59735 21226.06939 17340.57219 17941.59646 52764.66435 52737.45334 50690.07095 60883.89991 21202.09591 22428.32772 17383.6371 22134.22682 25911.05508 19808.48604 19399.18648 17517.41371 20891.15567 19626.72346 27017.70188 25684.89778 25820.47188 22175.79106 20909.86294 20353.52608 19632.45411 16274.83144 21264.3396 14916.28434 26434.31243 29423.18219 28283.66827 26474.55268 34082.31538 32986.71585 30451.56093 32290.59505 20857.55908 21542.50622 27561.57727 27579.393 26274.81863 26193.20817 30807.29396 28553.78621 20018.85262 19259.7225 21243.04642 17439.04496 18453.70073 18447.40394 30470.55937 20719.3166 24020.184 24142.9776 24520.36637 19395.06115 22847.06989 4-amino-4-deoxy-L-arabinose 86924.74335 95296.60322 96105.46756 93274.93305 67074.13973 56493.17666 58500.38744 65382.11619 35375.98556 41847.857 66586.62623 95672.74574 64541.50435 74876.67955 67865.6376 60584.49545 68292.75348 70220.71453 63972.4597 61837.41726 48724.38946 47404.61148 61850.89649 60901.27506 76485.13707 60788.53657 56255.67737 64299.93549 51575.15283 57340.91634 54825.07981 62913.91512 61483.76283 59263.84116 69903.295 45759.57909 50357.47787 39384.46727 35411.94045 47288.43608 39078.64091 37149.28463 47800.54278 48168.21888 40691.11533 48039.93179 49335.335 73945.16717 81130.05776 98140.79534 81902.44553 44184.06093 45313.10867 46670.81868 60613.83686 48071.71327 69940.58805 60136.22196 55932.66781 64170.80012 56254.18234 43982.51231 68426.75162 59839.56455 89650.07464 97517.46345 81301.28471 95131.50128 2-hydroxy-4-methylthiobutanoate 202788.7494 318692.939 220422.7639 213804.7756 0 0 0 11863.44156 78884.42665 56919.27968 23372.18778 65430.83801 82176.47545 69389.17696 59953.05377 108570.0999 84507.66175 101701.6976 90874.71219 44084.39569 49942.42293 25639.96378 0 23743.18057 17956.40576 35253.87488 15168.06491 25409.71199 0 47082.34539 60055.29001 24018.97541 66999.06031 37065.07252 52288.67619 60962.45088 33817.14314 21509.32079 39199.4689 40568.97136 55629.39241 24077.07037 34083.71838 18758.18664 20848.45525 0 26443.60666 63214.19788 73063.06169 45932.89288 28651.50687 24886.37263 30416.64477 22497.05831 37749.83919 0 0 0 57136.8576 0 25174.55052 117896.4904 125396.895 152188.3104 188701.7318 125061.3679 297721.0565 289690.4407 D-Ribose 14494.17743 13327.05123 24589.66503 21204.19342 109567.8556 93145.16881 101907.399 111396.7832 63941.5478 78132.10388 98029.226 129126.9806 100404.039 113172.7693 129773.6761 97963.97155 92743.68877 88528.80269 107477.7942 189350.5412 183955.1666 183779.2974 232846.9251 149130.176 143834.2479 147268.1314 88444.29069 93437.1023 94235.40579 112382.479 102661.8206 116018.2595 138105.7987 127434.1393 145482.3473 202006.1752 203036.6051 203589.6191 193083.7775 57240.21557 57203.27585 61474.07457 55378.02404 129915.4882 113535.3728 126656.2344 130668.7745 40965.45594 42735.88794 42748.25192 38786.31704 64208.88579 74024.90359 83923.88212 70111.08066 71864.76806 79413.80956 74382.64466 88815.74089 101799.8995 89595.4147 48505.04537 47690.3593 57326.97099 16655.565 20665.92402 22416.23318 25440.71611 D-Xylose 56527.87285 59718.39442 55548.65115 62763.88373 47693.36428 47733.38017 48518.67949 45856.38976 94173.92679 94342.60429 88328.95395 66849.71134 66044.36232 68130.27011 73946.73139 63719.77214 59620.84954 58639.82481 62286.29523 42665.41273 41749.28514 38944.56633 52058.59888 59513.15093 65139.62072 55107.76326 63094.1208 74167.94841 60412.02978 64410.72603 59223.57953 68981.41418 70270.74026 63856.46823 63265.37368 48136.18161 45777.30819 37340.23632 38866.64713 50607.49202 51966.71065 55512.58367 50425.95492 42774.04177 52041.56312 64057.84521 54773.94603 54087.74137 59153.80213 61163.57432 52744.52447 56727.80877 51700.79183 50663.25189 47658.08007 48706.28417 42402.14734 46690.97809 44149.3686 48512.56138 54708.04057 74773.68792 68090.11832 75433.90783 56757.29265 54490.38318 60112.88561 62969.88711 Phenylpropanoate 321180.4079 336004.0237 290343.6387 323203.915 98386.61109 101621.8978 59875.85056 56191.70582 93517.10152 100039.7655 87336.74847 86779.05936 94655.50017 115881.8211 80763.30226 1201149.064 939813.7304 1135260.504 962468.3347 88365.9166 94217.4574 92515.40305 113343.0452 66601.08699 70468.26728 77237.72078 109572.8754 102950.7394 109793.2344 116520.3535 109140.4507 95070.7809 128675.5673 95158.57487 108344.5152 408147.3052 406998.6722 392556.6924 419192.9741 877504.8107 895760.7914 906686.6455 926934.3547 657195.6391 703970.0481 793752.1549 702503.4418 533771.5453 488337.6564 504085.9775 486203.1882 870635.6156 809942.2066 679334.6731 646440.1 46876.80365 45026.36198 56214.33741 93309.02403 89627.69191 102022.1848 88251.06993 71107.46275 92704.50567 690834.2202 632485.1163 727121.7518 676595.105 2-Hydroxyadenine 108691.1206 90319.25807 118696.2522 94130.80907 54596.64455 43935.05887 37973.66319 53152.84235 49894.71403 58095.80814 47685.37968 73222.5597 87292.36646 82334.67588 79539.48542 43411.381 50710.17266 42561.18461 54140.90161 25561.65687 29097.84066 30317.34214 35850.79819 54026.70384 67309.09578 54447.86192 57646.86967 60033.24867 57782.74131 84415.56889 59011.50454 74209.20159 69488.54001 74436.39166 66417.68053 103304.5887 85219.72074 94441.46644 73224.05599 131738.0363 151463.3358 126277.841 153041.1193 48418.60703 87770.93322 107471.9195 89116.40474 51828.52822 48997.34149 55387.45736 57521.98802 106711.2386 110622.3414 110808.786 110331.3316 75216.75459 64732.48462 68853.54789 44872.82524 39767.43315 44711.75071 50632.26575 52591.37845 50269.5627 83906.63811 98471.25684 91007.56901 91302.03106 Guanine 635316.1852 764579.2915 881848.9122 815039.6851 139509.3155 98377.55509 94458.60248 123316.8595 574971.5774 603515.9172 764664.4022 1387797.971 1153694.603 1000592.183 1318287.229 1006601.105 1322167.689 1049432.212 1275420.582 308112.3847 221156.7565 223630.1973 268198.2407 588222.9826 587412.6175 479561.9611 588391.5119 709833.9295 682096.6736 1128409.484 906556.3092 1513570.651 866113.3786 1110461.051 1089601.908 2158624.253 1784876.556 2511744.913 1778745.511 2056506.577 1867547.914 1664292.912 2173333.292 1854947.054 1854204.736 1419579.843 1266674.214 291675.9722 265857.8065 271757.621 256207.3132 1465568.753 1635494.652 2248393.748 1839302.409 787894.7277 849938.6981 798754.1711 836320.1131 918229.3112 746402.4625 182964.2504 219825.7058 237382.7894 1916555.456 2343577.329 1682471.232 1835940.143 Xanthine 2391566.514 2363468.55 2375324.526 2205627.403 651972.6101 554084.0183 506200.641 603180.4262 1606790.202 1735488.001 1778622.138 3109481.551 3455183.352 3239687.331 3730451.463 3302609.771 3705194.347 3204951.232 3527053.615 1923649.637 2050564.53 2021784.118 2152209.187 1505395.426 1628649.391 1726363.065 1437331.036 1594451.913 1177759.092 2803909.04 2608262.997 3037766.826 2936018.552 2984153.07 3007829.498 6248595.352 6292174.591 6290022.114 6368217.924 5328850.782 5660159.466 5419986.569 5758902.569 4267736.012 4529881.598 4929254.465 4802832.676 824794.522 652349.3261 699811.0923 672697.2772 4064046.406 4222013.73 4268518.93 3848661.296 1975374.355 1813400.156 1984615.217 2292765.158 2471124.84 2332883.582 831233.8015 1059781.116 1120586.463 7237732.128 7514050.395 7206122.884 7706281.962 D-Arabitol 53830.14297 56275.33611 58198.62351 51673.8753 90138.74838 82137.49618 70618.46521 69206.76799 58524.80875 58387.25648 53943.06839 77995.56134 84836.08371 103273.8478 88389.39865 71045.19338 65753.63694 64869.60144 51462.28329 82799.53513 75963.78343 94622.14006 90893.92341 98863.50301 76408.19058 120038.2701 75785.82267 65675.34047 60940.59327 81674.11349 74901.96664 70319.67659 102533.0502 82689.75083 87335.36166 102195.9731 111516.3204 95682.82026 117231.5882 55716.00467 63186.48562 58343.75179 61267.3787 71422.16237 75438.64734 102569.9997 85447.60936 26029.89077 30920.67644 26020.23329 29838.723 83799.72498 93129.78043 69868.69866 60958.32147 57244.66666 51120.57959 62702.9499 79293.40631 84854.8614 70401.79396 57005.59233 64098.74161 64999.02895 43844.6742 34254.11955 43872.95725 33462.39181 (Z)-2-Methyl-5-isopropylhexa-2,5-dienal 579398.9868 344829.463 810734.6769 376137.5138 630426.8968 432353.2429 256678.6104 881643.8403 337534.1046 275354.2546 420868.6001 499400.0926 370679.8638 272745.6965 405665.7583 276635.5974 203463.236 719944.2369 448306.8152 351074.2068 522877.342 727814.2043 232679.5981 197378.6024 528985.202 609360.1345 391648.1064 412885.4463 417706.8057 432444.6817 537879.4778 459329.5844 623294.1405 529754.7311 361572.6344 329762.9039 315670.4193 231242.0524 279790.318 172333.2172 0 160334.0176 218802.2385 281000.443 208837.5595 377829.9284 299184.5452 629969.1469 380062.1643 538593.4569 597166.7951 362153.3929 74531.25973 404680.9729 383346.1221 1086558.231 1027963.938 417417.2144 536872.7581 671397.0195 255851.5963 449956.0199 390953.9959 745642.1791 569271.6292 440245.0533 337969.0953 1061507.299 Hydroxyacetone phosphate 762599.8604 807623.5067 656456.8564 786804.0331 904745.6682 797526.0621 693592.3554 816025.1592 691515.5572 612719.9546 621578.2328 772996.0956 844499.9758 834928.9143 833042.1916 818042.2427 790934.5972 847241.3085 745131.8527 474792.2099 581454.3194 469808.2912 556738.5116 604634.4639 579080.9257 641308.882 713578.0966 680426.3701 700037.8498 711788.1917 608136.4655 742654.083 723632.6764 726652.2895 697027.2459 493174.892 490307.4629 521835.2345 540998.9457 580882.9294 736803.6688 632986.1377 658262.8164 622456.0592 556940.7786 662703.0526 660282.632 772846.1836 839887.7658 779813.5703 801729.6847 732142.9312 713239.8498 779209.841 669974.9243 760221.5127 660618.5204 577719.9557 671160.7656 734751.4214 756367.1958 824197.7577 747266.3638 809556.9155 761712.0435 676193.0667 788760.6023 847899.8217 Propanoyl phosphate 2324233.827 2538666.474 2406116.928 2370116.119 3074517.16 2841382.072 2550371.553 2728958.401 3578947.463 3687266.45 3490093.178 1811472.651 1921884.011 2085940.598 2123333.21 1742992.987 1787664.55 1783884.694 1716441.043 1539923.089 1613120.325 1466042.088 1857918.254 1928756.009 1952411.835 2296903.498 2676681.574 2818545.885 2348284.043 2200924.686 2162064.877 2349363.007 2605282.16 2356721.309 2451395.937 1892392.474 1786899.363 1735327.789 1811127.889 2456395.193 2747209.731 2593532.766 2702019.345 2384767.384 2449472.644 2972587.015 2680492.335 2357452.263 2221803.389 2167580.652 2225739.131 2924933.187 2972662.025 2662215.58 2468290.271 2438109.205 2279372.555 2287672.299 2344013.605 2500010.973 2455301.69 2248493.796 2395157.321 2537737.782 2374400.876 2292751.267 2506803.58 2458119.693 Imidazol-5-yl-pyruvate 839028.9139 959721.9222 1527522.604 1142703.667 531829.3418 371249.7431 387850.4677 458126.7827 596059.9299 647950.0232 715558.7749 1210824.683 797641.0658 1224326.845 911269.5305 448757.9644 489459.043 386990.429 521415.9316 489619.3412 479522.8042 493455.9034 503440.5792 612111.8405 641274.6591 489280.5153 460830.4981 425730.0899 433429.3197 707282.6668 476325.5191 736124.0693 575668.4431 595228.4868 834612.2845 572334.6933 551913.3713 578958.2917 525971.3656 1160542.266 607417.0445 635141.5652 665353.7433 714488.3768 707150.2572 537699.1248 495342.1392 369931.4557 550032.5771 744236.5769 550510.1172 524287.4921 507470.3105 706296.7555 631846.436 375676.2308 439717.1777 342779.3297 369890.5154 385890.3647 404707.7594 522383.2253 768592.5211 826092.1007 860348.8951 822328.7096 635681.3312 906177.2439 N-Methylethanolamine phosphate 188631.0094 178397.2083 239146.427 223495.9569 154370.498 151717.8018 181355.4506 173333.1754 138631.5197 138841.5821 131485.108 191276.5905 187528.715 228593.7567 231088.2793 129058.0218 135092.5988 133699.6862 182084.3393 188390.4174 159952.3764 138944.9156 185495.5125 306242.2757 207469.2308 218100.0734 187106.0899 185749.5342 178922.5503 246141.3257 174879.1155 163101.6975 230977.9762 175002.1247 196585.1228 260174.1055 228427.2926 277651.5188 217354.8761 312090.0598 239954.4679 251635.2571 272736.2939 287991.7525 281287.8775 298192.6899 219585.6414 201013.2078 224683.083 215015.0447 224868.062 269677.7563 345504.2956 303150.5851 321636.367 156803.9071 161880.32 192258.152 204185.04 184307.901 171575.0738 209633.7113 265605.3848 246413.143 246249.3418 246413.143 206230.8729 200129.2306 L-Histidine 4292091.204 5212745.348 3938612.696 5681847.558 3338052.107 4182868.198 5750524.071 4009085.311 4602552.859 4772508.438 5129225.346 3284201.74 2180002.998 2630363.7 3426171.371 3015966.68 2753651.516 3079379.971 2312948.552 3736258.153 3394090.362 3448754.553 3965037.347 3849125.4 3412225.178 3939110.79 2816404.814 2653939.39 2867961.392 3849837.077 3405976.302 3244401.861 4362924.368 3088665.879 4455237.762 2946533.047 2862861.94 2279837.141 3801411.044 2104413.05 2530611.754 3104128.731 1981786.993 2975275.109 2203514.269 3279246.137 3569281.091 4041444.891 5599223.972 5562980.407 5179188.158 2519068.545 2602887.785 2078600.137 2077141.767 4270280.335 3925921.762 3459007.571 4945262.219 4358814.512 4465245.993 4279543.822 2923765.472 3314748.893 4794484.46 3998857.737 5580628.557 5434260.458 3-(Pyrazol-1-yl)-L-alanine 176027.5873 225851.7668 222886.7463 201239.5213 161361.0586 222021.2598 323229.3946 193626.9992 236920.9953 181525.4336 193406.4677 158841.1446 132105.7909 174940.4091 135829.0093 177718.9129 134191.8901 169064.0098 157391.5408 147967.7218 128846.7987 142503.2752 172424.279 198699.6889 139812.7147 219815.3786 139449.0428 131684.7214 145693.078 179183.8133 205076.4039 157993.9165 213469.3596 168833.5652 202399.8377 139278.6297 144970.0207 118546.8693 201136.2504 116482.7626 152909.0619 168786.9919 106582.7058 144101.9271 104353.2194 171873.888 182557.6001 152173.6736 190351.9068 218335.6516 190637.3224 132287.3995 139146.2986 114051.3749 125499.1572 223180.1783 201714.3916 218512.1023 227566.9514 217152.7637 235140.4127 304717.861 157268.4813 197358.3943 215740.3498 203644.7052 229615.9665 186873.9236 2-(Methylthio)ethanesulfonate 58952.81768 55548.89228 46354.6616 53836.48943 28285.48555 21128.40105 31084.40846 18864.83654 28990.41885 27558.0501 34212.00198 30099.43035 22639.14843 31634.81793 29829.87539 19409.40578 22401.64573 27757.05926 15467.78447 12497.18959 20567.81814 13999.65239 16994.74202 30215.51387 34041.99902 26808.56193 27490.38807 25478.18473 25651.72311 41695.32789 40585.29672 37645.8869 37346.3127 39107.14667 44096.71244 52398.59507 52478.80218 44951.5543 58934.69407 64660.58809 69212.77103 75749.55627 60620.86476 58275.46883 43844.23373 63784.45205 55554.39627 26272.21976 27910.59345 28329.95325 31030.61973 52151.18184 45056.43068 39954.78215 44354.48366 41262.19943 38929.80379 34463.19117 35968.20657 33469.02133 47106.50421 22462.32109 26541.33155 19416.8989 85858.26158 74973.65788 112799.7629 86017.17807 Orotate 30372.99446 30387.45945 35702.65688 33886.60106 61480.03168 40844.85561 36425.7421 39371.96945 26421.8497 28730.66255 33219.68692 53281.39879 62265.15243 46741.223 73408.40139 63543.45576 66325.06307 63296.17056 89465.5061 34448.14865 37554.19943 41052.20454 34935.63557 48510.01622 58022.63424 49936.2786 46121.44945 48571.22513 44260.54882 37865.29155 29772.5361 55505.44676 41540.33769 56506.25446 38083.55844 52402.01335 50734.27194 62384.91072 49230.14757 42843.45501 38954.69578 42541.28001 32664.79489 52927.11139 60075.10565 55615.65334 46697.22415 47172.35844 42607.70985 48820.46811 40778.28702 39279.82783 41511.79919 52116.12189 42728.26181 49219.8976 57640.48523 52320.45246 88801.28471 111332.7499 89273.33797 31228.8767 36018.10173 36087.14727 39472.4801 45583.93869 43434.97684 44104.26456 4-Imidazolone-5-propanoate 529239.69 541737.3269 548007.1672 655919.1864 325851.2902 282004.45 268490.6241 296019.7754 341297.8531 372890.3282 401847.4214 413672.9549 423121.2894 486688.5746 482651.7657 276396.301 314993.6747 277971.8055 328627.2706 326294.9478 320022.7498 289504.1094 305503.6049 343074.2912 388706.05 357490.4674 388257.7987 367793.0208 390510.9068 461045.9715 345177.6316 499904.8554 383652.7713 463020.7656 437596.0006 183897.2122 236583.8763 203390.7086 200647.903 267463.1184 317242.8954 199295.1491 304139.2766 269314.3293 289812.0659 300859.3891 291546.1111 477388.9247 499866.6142 594529.2241 479098.4562 267824.6921 291087.9559 330155.6792 235981.8649 243846.2363 230086.8176 208270.6018 310539.9011 338591.1799 312297.9369 373513.5168 500362.3118 506495.3292 520469.5199 581042.0915 545655.0578 592899.9998 Homostachydrine 65139.13505 58960.08642 70690.13086 59069.79992 37033.42073 44235.43874 36566.56671 73798.01767 33484.95498 40935.43268 21060.10163 68693.50867 34594.19814 44381.5683 94217.40854 57515.45915 49641.46735 46116.40288 47295.94062 55774.4682 59666.78075 51777.25922 52463.87116 51791.23817 50497.71648 39337.11902 50838.9592 48167.10549 52815.70958 39446.33294 33103.86157 49924.03541 49316.97629 32227.18612 38457.31485 49461.11162 54576.16812 67050.15673 48684.6025 35933.37391 35118.82372 35928.21203 64761.768 54075.68585 31133.24095 41656.16301 36565.87371 67824.29111 53538.58641 66608.66413 68097.69601 43338.43743 38057.20477 34680.85087 50051.96624 38983.95229 29189.96827 38550.10375 38803.58514 43046.7089 42288.92209 42552.8915 37570.97891 41610.08233 61702.70575 65499.0327 49985.94181 63596.07146 (S)-Dihydroorotate 32088.9408 45500.72461 43448.79449 41654.77728 98884.0072 113025.1874 90517.71996 108567.2821 16007.90003 19995.68416 19503.06484 34169.10403 29654.53893 34229.5576 41314.40535 30211.35228 34636.91444 40152.92077 39556.08623 19061.16528 19150.78661 20325.34264 19948.97406 74624.21587 73357.12993 69545.8909 58715.67633 70139.34052 61837.12806 22751.96113 23822.09446 38742.77472 28513.35005 30016.49807 34322.60829 11713.44014 14782.58062 22326.73263 10115.74224 19792.78036 21594.71462 22927.05771 21006.60902 18709.48202 20294.60054 20733.98599 22780.78635 95609.82811 98963.40814 108187.6012 83284.14504 15666.53352 17504.18125 19316.07134 17033.72468 59937.77475 60265.13137 60732.56434 40397.3143 45174.50931 43626.22504 26568.23473 37405.69862 39146.93985 44798.4923 35801.44825 41578.62121 38345.94163 Allantoin 107430.2287 122203.8692 125583.8309 146595.619 238483.7283 246413.143 258048.3359 224629.4823 246413.143 280787.4066 283060.9081 341189.6676 306747.3053 297436.9912 336258.6826 246557.8378 273517.6656 261400.0379 247188.1307 540540.839 581353.3506 524707.5635 579490.5309 440152.0247 384277.845 417672.0195 252132.4391 269586.7214 294883.8625 278269.9945 303820.31 299854.4695 362568.9346 334646.3478 367051.2478 399418.6759 402697.9625 352754.9363 435150.3661 157890.5959 158053.4439 150449.5595 137328.2449 286054.5285 255413.2109 316747.0017 310343.4137 151742.9994 191609.3223 193163.412 173980.8586 188309.4767 199438.2831 187471.8029 194842.6328 202194.1603 167237.9587 165515.2234 219019.3473 210446.9854 232163.5923 187798.2121 194144.411 216368.4967 93200.82252 91610.75806 98973.49365 94780.17125 FA oxo(8:0) oxo-octanoic acid 52442.24152 60532.01922 45982.4764 60589.55218 62380.12866 67454.94405 60452.83721 40952.71477 60960.97375 51122.65378 49502.00375 36113.20422 28455.90436 62384.7529 51356.04705 75470.10319 91473.96884 85119.62796 87652.37184 45284.37092 40415.43319 34385.92613 53081.92323 45706.64786 42065.5844 60793.21664 45884.59064 27069.89207 37598.68436 56005.00921 80151.68957 34194.78544 74367.13013 35065.43247 54935.95987 52695.79356 64150.98046 24804.02521 71357.65595 37580.28013 49795.40503 61792.53524 49089.81066 42395.92993 41286.19773 85818.90107 79745.18113 60323.16166 66949.20367 51948.88759 50590.66406 59132.4668 60429.43421 25399.04592 21601.50969 57123.24502 45427.91639 83552.66861 68896.31833 52042.90304 92356.38214 74162.04013 23092.96425 43718.98601 52689.62735 41778.92604 68713.24545 54540.088 FA methyl(8:0) 515704.788 527732.5505 431160.9853 559519.0674 924107.884 691633.312 614022.5539 649029.0368 504055.2521 578304.27 515744.9047 468437.6317 463538.2279 443522.1038 418066.2106 555216.5982 459220.526 554528.6374 497654.7155 524303.5322 583003.8085 511025.1605 673469.973 547172.3341 517916.4786 637562.0314 579043.6969 457779.9261 466645.8046 508852.0556 566248.0116 712414.9671 534073.6921 561366.6629 520501.9261 583998.7636 585060.2173 622599.7097 603557.6735 494122.0753 544893.4134 502502.2147 580945.3943 501770.4009 554412.7958 621631.5043 553811.5691 561595.5572 558035.0199 581535.4642 577959.8586 462969.7194 545394.4971 497848.9348 427378.6415 5806316.609 5474365.974 5812274.964 728414.1743 591772.4388 787492.6975 1011023.974 663854.4202 745957.6925 436989.3968 471431.7779 852296.8614 535688.1558 Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one 71418.30126 62258.47501 65169.08906 50805.89686 54104.04892 99924.12774 90678.51376 50015.35296 77456.59705 85955.12146 92406.22256 41372.19115 66944.97591 61462.69121 33747.41412 71171.354 37106.82266 52183.32333 45453.39705 35335.04545 82233.33426 41779.35557 57991.13533 46076.9682 44091.53978 78697.75667 65285.58725 71966.93546 43632.83142 58591.47737 92550.58351 38155.56983 95215.0214 43585.1876 63929.38923 31021.83087 62534.55395 27882.87749 76678.53763 41551.88698 71810.48783 83376.33894 40429.9877 40356.63811 41199.37873 79219.04472 69930.54463 72013.32227 86661.69709 55933.47755 59248.01259 64544.85401 47895.68027 34693.44328 31179.9055 68428.6694 47740.49911 74601.35204 86600.08421 81200.43638 110952.3395 135079.3665 43550.08918 56419.47999 53751.40793 54954.62128 77994.74727 72682.34595 [FA (7:0/2:0)] Heptanedioic acid 101861.8753 112176.0513 77294.86703 58841.17649 176147.6267 160846.3805 123525.8269 85254.83183 96196.41165 146517.8446 59836.58174 44227.05904 77548.49243 85553.0432 48476.55109 115467.8031 94662.0536 128140.162 94067.08287 45811.57719 66536.43102 41717.96186 92659.42859 68288.37293 58515.79481 126190.7338 80964.58051 76561.40483 59743.55886 67337.6471 90607.00591 51208.1991 131303.4891 50255.91291 66060.74092 57877.02842 69087.44051 41372.41054 68861.71776 60849.29279 101368.1189 84612.71014 115277.9475 37269.91846 58754.37439 104416.9567 107321.1825 158268.2756 88905.78222 74500.0756 93839.9266 95350.91555 118777.7891 42484.17956 44908.70676 89554.58135 77369.62134 82718.89338 125736.9301 104668.8444 171314.4715 90246.18703 45766.92755 53990.93649 67973.25464 63380.59882 114140.3376 67677.61409 Ethyl (R)-3-hydroxyhexanoate 96797.97459 56783.91073 36247.22488 18503.4768 82678.78322 92789.05966 54954.07882 49627.97759 65405.23629 61338.2546 23033.14105 23986.92559 52012.65177 64105.52672 18783.77189 81159.71244 75575.7142 86368.22548 50158.59076 21872.42013 27443.01632 13832.32916 62933.79371 23094.87703 38850.75866 53755.63935 40639.79238 30677.42023 17331.76429 46961.54386 57498.65559 21100.33723 53538.66215 20370.37452 47002.91443 25387.43318 72804.37912 17652.21663 46568.10368 15788.89158 60805.70496 63462.18174 69358.58924 46481.60528 66324.75795 86400.77793 66804.20345 83694.4489 93457.83182 19636.25164 39639.04148 39171.72085 53126.659 22975.1464 18279.13169 47397.57838 40442.88664 55653.40536 76414.30824 65320.72553 106824.3999 63601.14551 26194.53811 26879.87894 26287.61886 21641.09353 74223.45218 49770.24344 FA hydroxy(8:0) hydroxy-octanoic acid 33609.01926 37663.92665 23907.99446 25467.15038 55572.86961 40976.01674 41884.10162 39718.2287 35366.95241 42856.98309 23610.35334 37365.67668 17801.05468 28231.77479 22702.02439 134220.659 107697.8821 146113.8074 136966.0888 23386.57672 42610.88962 28758.61554 47686.77245 22357.00004 22842.92559 52668.58997 37246.9249 32405.80999 25162.35522 37987.80307 24522.7976 24123.04482 45384.6176 27040.73963 27088.91805 33021.00123 38727.20221 30459.66109 45594.65505 36920.72679 36868.5894 37059.32568 42103.2417 31439.887 36499.44748 35890.65047 43017.52054 44337.6548 39538.81782 45529.75463 41416.85744 37591.11169 39400.10188 32870.65829 23843.85093 46938.5312 21730.80608 63280.91049 45440.50424 28113.84469 45514.70445 50273.83258 18775.99617 35080.94523 64816.84527 52109.62996 73361.67305 55548.93021 N6-Methyl-L-lysine 67285.65148 63774.89807 83517.23027 68833.82452 94302.37963 57649.96519 83931.63399 81405.23772 91263.28579 139115.422 116299.8166 83368.94686 91624.92518 71251.79428 91536.47543 59087.20016 73802.51965 56231.09167 63150.86868 85545.00139 84841.78959 59989.80106 78509.23328 82615.19344 82514.33434 78149.53501 104044.97 164129.3296 146288.5537 75896.90996 49563.87667 113663.575 64052.58259 79533.26213 79724.42617 60203.31293 58272.0327 89593.10176 54406.20083 90858.67841 55224.77869 51450.8092 70012.52017 72647.38567 76233.67892 54612.66439 73817.68493 91976.94159 72652.2697 100180.8 95536.34089 65850.36783 53100.82501 74695.99568 76468.02922 56450.33131 79277.29788 60190.93237 57478.29341 62763.99035 52969.62261 38860.60298 83936.83807 76703.3016 82198.51589 88003.11198 58261.78041 85343.99473 L-2-Aminoadipate 33227.72568 9281.965505 9090.936281 9896.848263 42802.0971 42355.99831 39546.84391 38929.56885 35699.05221 87657.87761 31002.51801 47942.14009 42241.73328 68149.22877 39363.19481 30873.40505 34460.30329 34836.58012 32687.85857 95408.41284 112621.8845 122630.6398 149733.6409 97459.07975 135957.4464 112015.4111 36202.31253 45076.03079 41210.68836 49434.20331 29415.09961 51074.82176 69764.60964 90428.90816 82206.01964 123664.5886 129700.7846 138147.5782 102357.0491 21225.09127 28402.42914 32929.38407 27494.68441 90344.52842 35273.40525 48888.94327 37895.8941 7047.280616 32931.62744 31181.31828 43389.62896 32446.69491 34414.57537 41582.95167 32485.45147 37130.31068 31259.85922 42913.15676 46502.00806 51679.5612 91323.88235 35861.53775 33382.75662 33980.98156 8745.942215 19855.40854 8917.591253 15456.07216 O-Acetyl-L-homoserine 46495.89397 49000.4203 52525.01982 55113.89963 36107.00366 37833.64868 45469.40451 32049.88196 46052.44827 39445.33 58444.01266 39353.05236 31051.31946 40698.6784 39162.20255 25716.43381 33437.41861 26258.01892 39995.70373 36811.77577 33114.74626 31084.427 46981.54057 47891.21514 55886.15709 44564.2267 42687.78641 36530.95865 45077.38234 49510.77707 35683.70305 42686.98211 39667.0021 41497.22805 42124.33507 69713.35265 59800.72246 48403.08943 60775.64894 88998.26748 71322.40812 79263.19934 68069.63042 94019.39112 72945.84795 78180.7466 85863.8332 56380.13714 75084.49781 63728.97143 49095.9773 83344.91526 76984.57328 66197.41827 75487.24325 31737.09345 29603.97305 27235.37059 34109.84876 38689.8947 36148.85888 33007.8774 35050.12188 41399.81679 40859.78027 48525.32653 41978.47793 41340.18603 4-Methyl-L-glutamate 25245.07721 17811.92508 18116.52698 13528.85234 20972.25672 17657.48369 9905.377444 13279.97857 19272.20955 16246.80596 12675.89904 13147.48756 18261.04078 20360.80402 25529.01351 13011.96654 13699.53636 12230.1039 9665.690211 0 11282.96107 7329.773043 23997.33786 13759.6159 10835.87348 11340.69467 10641.8811 14939.52317 8761.9096 14752.33223 15248.80728 12626.16267 15136.12941 13251.01931 13634.92044 27654.70113 32986.93024 31698.61272 35162.17769 79305.28943 62625.53903 41223.37419 71506.39903 25270.11199 23851.57555 28048.58999 30249.33693 20482.18593 9717.740163 12746.58705 19561.91931 57675.98719 55982.74097 57416.05951 51906.55872 7733.534504 15208.17304 9002.917022 12108.98994 8854.410931 20646.47147 9503.064036 10799.33918 5738.265562 25011.00955 10959.50934 21061.62315 16931.41697 L-Carnitine 12275828.05 12786543.36 15452284.12 14442102.44 8962493.621 7790605.355 8312225.515 8356944.754 5813131.274 6079621.169 7788411.601 11170256.02 11933232.9 9348371.139 11273654.34 6460529.901 8277665.477 6622430.23 7448778.701 7342068.331 6229068.023 5254742.548 6594844.719 8696204.275 9663992.994 6488686.337 9513617.965 11105201.77 9064204.355 9779729.826 7607997.722 11549482.21 8672971.274 10894010.84 11113695.79 5814526.644 4637246.435 6167885.763 5125857.614 7619828.494 5478647.659 5537033.193 6856591.433 7561359.322 7093649.509 6103723.552 5244937.374 12614714.02 11535688.36 16495299.6 12591740 5942872.746 5332241.563 8969759.673 6926178.382 10066154.18 8969204.303 8875837.166 8564005.978 10115316.84 7257061.18 5895408.435 8838959.954 9130051.667 12160851.9 14481624.4 14431517.5 13776801.98 Deoxymannojirimycin 69623.8131 69102.20067 81810.06419 70006.69645 53982.46638 46024.58941 52806.89953 54447.45908 43192.28343 35529.46206 46407.53739 67108.72282 47360.00711 45671.39657 41532.79398 36437.17553 37648.07083 35547.50086 52040.34494 37448.46185 44913.05659 40548.94319 48462.18545 57209.21252 54230.03724 55329.7372 47724.76922 57327.82786 45242.28358 49221.06283 43250.24806 60922.03548 46235.44404 58174.01118 55940.55858 43968.59208 37304.42954 40806.79995 32266.55558 38255.66841 34394.42713 34024.0657 34248.59695 46317.28258 34547.3058 27785.32692 36699.1793 52012.26284 54828.36593 68592.95417 55918.44961 31212.50938 40575.77892 44960.04441 36904.99746 45105.80987 54888.84226 40324.46786 47366.09632 54821.63701 36315.05254 41920.73573 45909.16602 48452.94262 67021.75486 67148.5909 57297.8112 88117.07841 trans-2-Hydroxycinnamate 44083.09114 31960.22472 93108.56648 46266.32798 69523.71552 28624.90901 33491.51862 93345.51584 35318.3513 60862.69531 114466.2786 229406.1277 128839.5401 55439.76503 150156.0673 61404.16749 182213.661 88150.89442 294303.1 241742.389 110143.4471 238875.8058 16027.04263 172364.0999 330768.8639 55852.95906 59918.13577 174038.8974 143852.6905 69131.69458 42820.7604 266930.0537 53617.33992 180826.4531 81680.69083 184074.3903 104653.6391 557048.0989 53957.33752 179069.771 65782.8398 41797.41368 137794.1552 344409.436 295594.4053 87851.87561 65853.64546 45450.51896 42460.51375 95672.26515 60042.63401 91944.77243 86778.9514 448256.9972 328888.488 103971.724 115561.7871 91357.60665 41174.83489 116422.6154 36580.77176 10525.2424 148672.2272 93840.84683 40472.27492 68491.56728 18980.59163 60356.18382 Phenylpyruvate 803350.3991 827012.9193 754207.4077 883178.9637 1647557.449 1939328.688 2129112.442 2017478.462 2289014.115 2071427.932 2313541.572 3342729.813 2764412.722 3616371.129 3167084.447 2716834.43 2355690.059 2466750.835 2228244.903 5429590.726 4625099.205 3997497.545 6243064.592 3779470.39 3011310.368 3579580.014 2028041.313 1871692.917 2106822.93 3012546.445 2806664.657 2236034.976 3665358.836 3027524.744 3432572.116 13072076.48 12206854.6 11786157.94 11928182.1 4891372.277 4821245.641 4969546.153 4240204.816 8684333.479 7226241.088 9069261.788 8524272.894 960933.8298 1211380.053 1235926.543 998409.0749 5603917.809 5640869.937 4237459.622 5060009.658 1425911.279 1344217.168 1532001.919 1609918.423 1591449.27 1761310.424 1501740.77 1423822.239 1672031.965 685244.9056 569101.8385 753648.3312 653257.5469 [FA trihydroxy(6:0)] 3,4,5-trihydroxy-hexanoic acid 15061.59899 15137.45562 14987.40114 16141.19933 13506.40644 16491.86576 17605.89086 7522.08826 23718.57159 15903.67292 10947.74672 4787.139985 7764.403775 11406.69967 9569.307685 86132.77014 79394.79408 78245.45486 91610.96879 5853.731143 9863.65489 10136.78371 17390.8898 8944.338286 5354.240404 18872.75868 11807.44833 7291.183474 6239.612834 10472.73787 13098.49501 8111.734139 17435.12146 10316.00369 11147.92673 13827.56523 12999.78709 13560.43296 20495.1459 13355.78098 16008.28795 17298.73765 13012.78762 14496.91644 12141.30088 22747.61295 22210.96408 31316.39877 35676.97866 28228.78208 32185.30786 12059.80201 13218.06074 9739.833711 10216.6452 14316.41055 0 0 15431.8623 0 20544.47827 12503.48566 4842.333509 0 21433.52379 19308.97617 30045.49703 23830.07521 3-Methylguanine 234974.9942 169132.7007 153070.1696 178399.0588 202328.5469 141341.3491 69854.13645 120330.8533 107220.4072 130000.7926 69037.29071 98708.93096 163449.3704 143905.5257 171920.5214 136061.4372 91875.47958 150696.9917 88054.40863 97965.67997 116330.4388 129291.8356 96917.52043 110253.0727 77871.41758 125225.7267 140481.9971 120294.3555 55134.87833 111705.6604 129977.4563 161979.3563 139263.9749 174703.9333 159657.3518 113868.2068 117296.0361 233674.646 134047.753 91906.37092 234301.3982 145809.58 250110.7165 59578.01941 215895.6579 170687.3372 152153.7844 216163.5582 152312.9528 135812.4856 246904.1421 164006.3242 214043.011 239276.2939 82963.40346 104684.8924 107150.6193 87091.95622 95110.05028 103347.2849 73335.17839 115776.9093 112916.725 98808.45868 153688.1577 128631.0435 186720.6462 193263.0016 L-Phenylalanine 957289.9704 1124809.698 885042.3189 1155238.777 580187.3421 1153069.631 1134438.085 676418.5786 998892.6139 833398.0624 959430.2601 609912.4842 474799.6461 1049426.519 472823.0685 1929448.341 1588818.333 1327192.969 1475365.114 1288023.349 1228403.757 987257.087 2325722.421 970989.309 504459.4699 1060216.621 532311.7097 364316.3762 588160.1883 1498031.655 1542280.052 717762.8736 1490608.269 679654.3366 1682195.046 7662799.611 8157461.557 3205888.395 6294881.791 3239611.437 2467507.78 2651755.477 1366050.084 4643670.702 2648600.833 5329282.002 5122516.416 89735.05731 146644.2081 137655.0364 91435.45514 3616051.197 3988342.918 2004931.137 2622538.572 1082562.048 939561.419 1195706.686 1630419.506 1141146.709 1788489.056 558766.5904 516748.0213 522010.7747 1122132.605 763430.1671 1035007.036 1033844.399 Phthalate 433260.2639 442357.9144 313915.8481 415338.5211 375727.72 720993.0261 640992.8202 442299.2859 537358.2246 492421.1198 464044.9515 315083.1934 261772.5958 408667.6363 295195.8863 483426.7134 312515.4266 395330.1251 277282.77 294868.0778 294751.8355 271740.8484 404010.7678 408734.9123 304970.6976 487870.9747 408217.8046 298630.4735 358220.2171 471723.9973 489403.4278 330838.3466 564168.3135 347391.9383 433484.179 303335.4272 428389.8759 227574.1261 551386.1957 301369.4124 431077.2622 456735.3702 283928.9995 274191.9676 250113.1939 476169.5892 524407.3284 376950.2037 514793.3497 412511.2908 425154.3404 354271.322 422240.4244 261797.2846 265002.9028 537374.0477 385622.4306 542869.7909 631757.6997 545656.2843 616979.7354 817888.6037 360794.6738 405661.6269 399942.2254 288104.0832 565823.192 506786.4343 Terephthalate 345614.6878 370368.8277 338398.9432 405064.2888 301345.105 546073.6828 562329.3316 320145.2166 651275.0786 450367.5822 375886.8655 336289.0183 201610.8511 370922.323 269941.4582 350539.9077 295029.444 315552.8948 215088.1405 288542.3208 263905.9813 227512.8219 443645.8648 423691.6993 322024.0923 521208.2673 401784.4707 265185.4119 458438.8191 442606.8033 460259.6605 325619.1762 643327.8539 308785.9657 404018.7906 316218.3957 383369.7695 231361.8797 574811.7774 315388.5285 420909.2255 448787.5244 268411.0168 291215.6943 249760.4175 488164.5193 573932.8065 317473.4565 517264.3627 457707.5526 463452.936 360367.5267 367260.4374 237565.96 278679.8376 505664.3341 414844.5415 547787.4124 600155.2363 448916.486 607005.0042 778711.2746 426067.6038 350053.6415 406139.4527 335072.7898 513920.0447 337530.7013 4-Hydroxyphenylglyoxylate 279936.5743 369284.6959 338398.9432 405064.2888 0 599814.0894 655896.6544 439608.5067 0 459292.9231 437659.5776 320417.3837 0 0 0 0 295029.444 0 307537.959 341530.7062 0 312888.3156 0 433444.9019 316851.6481 512930.6118 0 281083.1352 376179.0401 462839.8475 478220.2163 286084.8926 548558.4661 322795.5726 432532.0392 434844.0292 588089.5667 205067.6407 619309.9752 298480.3841 443632.005 521681.0855 280317.3395 291215.6943 275384.2374 0 706302.2511 0 504111.9491 424023.9102 0 403877.2109 390352.7282 248835.7736 253377.9514 523239.6273 438901.8386 552049.0675 616518.7403 487631.1367 616875.01 778007.5201 379825.5991 384623.3869 382368.073 289453.2608 567229.4691 338116.3015 L-Lyxonate 37623.09408 38024.25198 33622.33123 35261.28811 72589.896 76104.02632 78382.1708 72824.97731 75907.48777 69168.45303 68486.97725 91239.74694 84161.13767 92359.03406 95349.17781 59359.45999 69877.77267 63370.28921 63302.05884 118987.1259 120767.4665 96707.93395 140815.0544 92726.09121 84305.18033 109973.154 71208.10444 69095.68105 67211.3019 79289.39059 83167.72459 72772.80801 100412.1381 85072.15225 101761.5441 120884.4696 132570.1246 118319.7816 102262.7349 52196.32677 67887.42143 62139.34833 56924.56347 76322.1724 89470.63296 90958.81844 94041.86943 44038.08491 46187.15979 44520.12202 40496.16909 64019.17241 79060.81811 55765.68813 59919.99766 59863.49834 51024.03201 55217.80569 66108.04793 65050.91018 67109.20319 78642.20512 49886.61337 47446.59627 38893.00446 31250.11375 52174.78829 31891.12961 D-Xylonate 44977.68351 39997.71298 43306.78802 43536.43594 79513.91833 79395.2753 76102.95231 81645.00404 69899.51511 78225.7443 78741.31814 108248.496 114009.7343 92911.27936 111505.5326 81153.85208 85971.76164 83800.57675 79020.7277 154246.9885 146732.8103 123952.8844 148873.5942 118246.7893 121485.6422 102411.3524 75277.61678 100906.9122 74273.15978 87460.44619 87191.33385 96777.80339 102986.9947 120321.133 109493.6815 150360.2588 136613.6266 157261.6596 123825.8132 59497.8262 67371.64992 69357.13851 69718.57057 93792.91299 100376.3007 105317.1906 119193.032 49941.64295 53184.17441 58999.4039 51906.58746 75691.80701 72993.55861 90359.10705 65119.99614 71357.31579 72630.12954 63872.95143 69233.23998 81893.02698 64331.31287 70472.81417 55435.76199 55181.17499 41365.67447 39838.16903 42506.49505 44488.15658 Phenyllactate 78005.3079 63451.95762 112189.5636 72834.47139 21965.85071 14221.93051 15307.962 41578.62518 15170.55813 25857.63859 37533.18862 108775.5 78165.02269 33735.18622 69107.04593 74531.47684 93706.54088 74915.00978 244145.684 53714.64067 41743.64659 66044.70777 21730.51685 31465.42751 34071.84688 13132.8861 17628.25398 20745.56362 30221.40633 46925.79646 26367.46415 99002.68034 24491.74479 65055.37906 45935.51222 123754.29 55420.41479 279286.4474 38215.86871 261593.6163 59157.02392 40264.73393 279802.1062 337976.1978 195864.3436 62117.43203 40262.67015 16549.6671 16695.90467 22660.67341 12983.42673 114453.346 100512.0971 380356.9013 309809.8143 50090.21679 42061.35631 46963.64943 25544.4512 65733.39877 25788.91201 20233.67623 91761.30124 58285.18454 79286.87047 210397.1254 34657.3733 112655.9378 3-(2-Hydroxyphenyl)propanoate 584781.8573 488748.7893 480063.4936 504459.8936 146925.0394 143979.4714 104752.142 84232.50492 205096.9636 220348.6572 211768.4015 413848.5073 416549.6756 612895.7772 503260.8476 639251.7295 340769.549 572219.1422 400405.3488 268566.9128 358014.8871 223319.0894 433802.9445 157825.1119 156869.6623 194981.9392 138838.854 84856.36365 124957.9457 433952.245 513723.9484 296572.4314 480673.2905 297557.468 350855.627 1953779.403 2460036.337 1811022.098 2366010.683 1437756.878 1924685.265 1827931.872 1640811.174 1412382.19 1337256.602 2120122.778 1867773.457 72968.31525 68447.26756 49161.88645 76164.4211 1958919.076 2108800.754 1224158.557 1122646.939 161033.1641 145755.3101 143091.4849 273108.056 212923.8575 347968.361 394005.8291 261483.9489 244969.7442 421715.9645 336833.0201 631185.6306 415695.8843 3-deoxy-D-galactose 33421.8866 32561.61075 31662.04636 39152.20885 43817.64266 52423.19355 38064.68404 50323.67545 38523.41017 42996.99152 43272.06105 69662.95373 75363.18075 66585.82143 75030.80391 48490.35142 51478.78208 45887.47682 53080.90549 88569.94803 88094.81523 82002.64901 98387.46142 77081.58343 68855.13798 78661.4481 48479.90444 49105.89805 45107.17737 51939.11143 52351.75092 67368.73877 60573.28335 70804.6973 67794.83961 87561.34899 79568.21633 91198.18332 80884.27126 32480.41399 32880.49897 34575.60312 32303.052 56465.29882 62342.79457 66264.54395 56545.07719 31059.24257 31470.75325 25750.73703 27228.1897 36558.24533 42182.5721 45836.54675 38532.62618 32565.14107 31934.99487 32708.39564 33811.48501 42966.96108 37136.96323 41596.10577 42577.77988 48951.4316 21610.57926 18344.93098 22646.33221 27174.11046 Phosphoenolpyruvate 155255.2573 172224.9313 178675.0995 178734.7706 713113.6057 470584.5714 468523.3324 535825.141 301485.2504 368211.5269 405116.9916 307577.2299 323168.3551 309559.2509 355554.3412 257044.3764 351736.6992 298422.6227 390069.5218 253564.2085 254426.8129 194150.2733 225702.1701 408679.8027 467079.815 306306.6372 438709.6254 585121.4837 429627.2541 215448.2249 150624.3089 330712.5881 206862.6308 261472.183 241161.9852 300978.2123 194124.0117 274458.3021 160665.2447 303063.1454 298426.1739 255557.877 335817.4707 306298.641 302576.5744 297265.7745 203382.3307 376324.2511 415018.4733 445169.8878 488380.1111 378214.0574 478359.9605 528987.9024 469382.8213 234695.2863 284382.0432 236723.2359 180806.4808 232492.9141 175347.805 268100.0021 394714.9679 411036.9303 186291.4048 212680.7777 158848.772 203626.4861 Butanoylphosphate 388040.0125 416398.628 372238.0973 361122.3319 470184.4668 406275.8134 337310.3175 400473.6343 329259.9983 362217.4548 276479.1646 423212.8436 391534.8994 416353.4105 444289.7994 388421.3009 468593.7132 388893.5574 360341.1356 229767.2604 299676.4792 256200.3531 272394.2409 295322.1292 357024.4965 352259.5328 363405.6505 324216.9031 324667.8466 318836.6611 286304.6528 349357.0616 360007.7577 400709.4094 397040.9812 267120.4674 261383.5375 272738.0688 295638.2102 324234.352 378766.479 328950.4076 360077.7312 335003.6619 305998.5559 374813.8692 331294.9566 375132.5549 388256.0952 420056.5157 430688.5045 432404.7505 341769.3965 392385.1293 369679.0406 378002.6813 334677.8081 379017.3816 310307.7793 373074.0954 401236.0819 406956.8709 393414.5793 335122.2328 376896.3067 333547.9926 332844.4256 367952.5781 Urate 246413.143 247791.4652 246398.2644 248264.3456 947578.7845 725497.3127 606934.4552 693213.7949 760222.9752 791658.6371 807051.9122 1183840.747 1325940.027 1308074.869 1455631.833 793860.0658 797962.0229 769561.3901 798025.682 1662509.5 1836844.06 1541738.344 2115853.618 1264006.056 1331502.823 1326468.649 954668.6801 1102769.373 822477.0656 1043913.727 923067.8762 1143383.399 1221997.399 1259221.343 1347967.312 1844601.337 1680845.582 1929587.031 1539681.069 560019.1092 610693.7232 586264.6526 709077.6171 1082127.282 1144364.444 1283755.903 1080108.616 435335.2789 369472.3138 358057.6607 374987.0854 793540.2132 783269.6513 755251.7947 658742.2708 544533.1392 469584.0142 449386.3509 571131.7222 595841.3377 610313.166 440683.9926 498714.0516 528392.9314 175969.8168 210920.4406 180119.1996 193392.4749 Phosphodimethylethanolamine 338013.3222 391511.6072 471572.0419 389211.3978 316709.641 185720.7503 236231.2362 272045.0259 152696.8523 202749.0336 243032.926 398298.3643 360145.7806 346565.6037 464166.8976 218836.2413 287531.6409 221860.8903 308693.231 196452.436 193040.1238 184482.9789 223621.6606 287795.4821 374547.3359 199115.473 232133.6251 294842.4354 291862.14 233177.8392 189134.0394 378412.3782 214518.9905 292588.952 312410.733 384256.6804 298215.44 433549.7741 261696.8886 559942.4486 494268.0887 400233.7331 747198.782 493071.6091 440763.2907 381367.2923 347100.8448 357035.1182 366674.085 495307.3852 386038.163 451869.2876 512145.2039 733332.0203 661502.9713 176368.3182 242507.5319 152321.5195 172003.954 206808.2903 151702.5611 224557.5624 389524.5162 401325.6269 358797.003 453366.5492 247351.7445 420613.3129 Nalpha-Methylhistidine 572799.8132 563655.5933 689191.383 719440.1026 833955.6582 641974.4064 796041.2682 807213.8042 587949.5372 559776.2733 922010.4791 1329615.639 964731.2458 913366.2213 1099742.711 665471.2696 767135.1861 594251.4056 760455.9045 1131326.175 1179645.361 1151825.232 1340282.724 1038149.499 1058736.316 1005331.986 886545.3499 1202038.683 966183.3408 863654.6186 778059.6809 876899.6699 831158.8812 1040325.495 943518.5965 1104861.063 917069.7956 1255584.978 840183.917 454303.4607 508531.9738 485482.1308 625079.551 809183.8277 867411.9592 777753.2205 609627.2621 773108.1492 709826.8323 760762.1178 760491.9251 608816.9373 659600.6448 716447.2811 530569.6294 571817.6545 619385.579 582188.1227 669971.0622 838603.6069 682692.903 409698.8315 687763.8069 688236.5287 700072.375 714175.3537 706490.0759 667695.6354 N(pi)-Methyl-L-histidine 1750490.595 1748464.269 2543168.295 2420354.143 1136473.827 1040547.117 1050108.644 878225.7236 781894.6614 877642.8618 1267117.825 1533339.934 1456424.401 1342971.096 1604959.424 1024374.111 1235482.961 981619.8625 1219281.102 1131326.175 949175.7673 882053.3074 1015634.559 1030980.211 1386673.26 987872.5144 1102961.754 1180133.135 1102548.97 1009430.661 867166.9796 1254201.132 908241.8069 1203173.801 1021318.279 1104861.063 917069.7956 1255584.978 840183.917 594407.0159 526063.9091 463833.3378 743155.2885 740510.0276 807732.0748 662055.2144 534830.8872 1916626.036 1950960.098 2246143.09 1920880.01 577091.3743 587975.9516 787171.033 731944.4317 804808.4846 827685.5867 848713.0436 864844.3353 1069352.231 721303.802 740023.8847 1194625.516 1646510.202 1911877.296 2548453.719 1614245.172 2503652.253 Glycerone phosphate 1172704.357 1251310.386 1338385.372 1282050.683 1163555.543 989269.9642 1015325.61 1148427.71 1311823.67 1464755.228 1791196.8 1098840.832 854482.7393 894197.8609 1040262.835 1208458.237 1685621.824 1346704.752 1672391.345 813866.0743 777356.0146 749447.2812 780103.807 985915.0641 1086913.962 811117.2404 955186.1843 1368183.158 1166938.245 860202.1821 655992.2205 1142411.077 749823.3238 944934.0621 820081.3378 747142.7013 553714.8172 751475.6595 521016.8895 593245.1546 489593.8505 443071.2518 571006.5508 727066.2489 677104.0108 593588.4255 543415.3916 896867.9022 993039.5282 1127302.315 1014294.499 898413.0523 1014304.558 1109708.97 1113146.448 1287967.455 1362616.501 1219512.737 1541319.361 1685024.315 1455977.675 1016742.525 1594924.681 1713282.095 1219275.464 1123399.632 890898.5179 1249147.342 (E)-3,7-Dimethylocta-1,6-diene-3,8-diol 68261.24772 68246.41191 89284.16898 44125.27714 149053.5904 51561.4815 56347.79514 143613.4449 101783.5872 60262.51122 88239.97115 78136.66328 48106.79386 49574.0352 39077.3605 51812.99223 31140.13155 75124.86612 63415.69259 73838.60598 75528.92731 86979.51017 50460.61196 50855.97154 99056.15021 116093.4936 34876.0317 37379.46547 55719.26811 42998.37002 91059.33978 75084.10302 79951.45236 98294.45638 54757.34337 43120.67317 34080.86766 40259.13292 63219.29106 31854.17165 29902.17186 36686.75485 53194.08223 57893.4412 54161.21043 71540.78676 52127.12432 54584.60999 54503.87145 64330.57734 63102.49766 31975.02531 30961.82742 75399.05453 43858.34975 149568.992 131390.1675 92220.99789 108769.6429 67009.18819 31328.16829 90468.3198 68249.94534 106939.0439 78071.69474 76593.10651 29447.68777 122450.6557 sn-Glycerol 3-phosphate 102603935.9 107523205.6 105106907.2 106364132.8 86448014.93 74742050.09 71406784.82 77113603.59 64749648.28 64710829.05 63120806.71 81372725.95 84936540.05 91565915.35 92307773.76 70625204.15 71375341.94 69795184.11 64487111.9 58358456.08 62971747.28 56598278.06 73810423.32 66656266.21 68866101.33 72808621.62 65429686.85 67419321.73 58826686.27 79483966.89 71512739.05 79402690.17 87473923.78 80461276.91 89660738.47 76101133.14 70249251.46 71449765.77 74815072.39 73194765.03 79083428.23 76709676.62 77795941.26 77110892.1 73588326.68 88243952.33 82106212.03 63998649.13 67360400.08 68950352.33 69607138.71 79853273.26 83581916.25 80000559.24 73219600.04 66485171.68 61927134.85 63650522.57 76215370.81 80382824.43 77699872.57 92596406.05 90989293.65 90061098.23 93441075.68 86753127.29 95219718.43 95519160.37 Hydantoin-5-propionate 75083.27148 77559.38361 80223.37393 78878.51108 10327.15884 8848.979401 9069.860386 13303.81052 0 11791.30842 6050.752691 11070.77815 10128.55078 11453.06002 12002.67723 40041.60237 39710.63592 37344.48699 34733.66209 9904.348514 4606.581616 4612.647692 12548.31513 9331.390346 8434.189295 8007.167303 4804.958328 3675.618182 4163.489578 11730.55937 7102.639422 7550.266745 15758.56382 10920.55812 5124.747408 62158.77745 72293.77338 57227.29772 73771.36439 41204.38225 42047.4785 40634.58564 34873.53982 53753.01794 52692.03358 70776.21225 60216.0321 76512.11035 87779.8402 102492.9599 74807.16532 63445.28736 56142.04214 46123.42375 46981.05129 14046.68891 12742.69681 15510.54298 15470.23865 12842.28428 14743.92161 0 4668.554283 6014.153534 73491.33456 57620.75365 85060.88514 67861.88599 2-Octenedioicacid 22939.93657 22487.5915 28885.16991 27199.62519 28855.96718 42681.6248 44913.35438 25947.3732 26609.5039 26709.43494 27003.13464 18918.94783 19301.53808 23035.34934 17940.37877 142763.3493 80053.42606 131759.5804 60483.42568 25652.48126 19268.11475 20473.07293 25276.51721 22709.73167 22094.0962 40354.28835 45665.34442 17982.37084 22628.98269 31476.18845 27473.40165 18929.20235 35503.1465 20368.54333 36101.18621 20738.21252 27175.34409 16578.04293 32866.11999 35259.0087 28365.71609 47085.56161 15047.78579 22433.27309 16217.50917 29599.36682 28112.32914 25845.5057 47874.10562 30800.59903 27117.72079 26959.77529 23449.64 17024.53307 15241.55927 31620.40456 25590.23998 39797.40493 33894.08011 36073.33987 67809.60897 43480.8347 33153.91246 25916.91685 44760.82256 18472.88063 30241.97391 35807.66273 9-Oxononanoic acid 73392.5968 83543.70689 57046.81064 83216.50881 80717.25048 94442.23343 97993.05811 85633.34635 85817.01653 90798.61198 78634.3213 47169.75803 42302.98433 68326.65765 48401.4594 289757.3223 298931.7336 282978.71 277651.4372 56991.5198 62534.24692 55370.6503 70358.23465 59733.37576 52358.14299 88217.85564 71411.52949 46562.94958 56627.53326 77104.19783 87208.91503 50578.98918 90304.72338 55272.83745 67182.94895 66370.10534 94754.25962 71291.01239 110469.9688 91522.31199 125227.8647 136961.4758 104538.7288 78507.03556 73385.80338 106504.016 113037.4876 109546.7218 124887.0765 104711.7495 110578.4571 103265.5747 97093.20696 78482.60827 71033.0457 109528.1647 84254.3601 159859.7631 96389.58286 72452.49923 112888.5365 117307.4236 58248.89504 52896.02362 140174.7034 129810.9948 161062.0469 132822.5066 N-Acetyl-L-glutamate 5-semialdehyde 845000.7836 1063678.397 726458.6449 712179.6528 347771.0365 236301.3034 160310.3256 243444.2342 149349.4501 147480.8921 98515.12471 129455.835 154433.9117 146671.2087 162623.9534 368541.5767 292591.9253 416817.3222 316399.3115 67584.13617 96096.52666 54166.08649 129646.9008 125939.1586 153949.0326 137616.9792 155695.1362 146022.119 110256.8755 132098.8681 139098.716 113862.8938 158098.8723 117919.8936 155559.6843 447784.0319 380985.6556 477324.6258 299067.1357 558257.5961 621158.7844 448303.1121 770513.9125 389273.9615 600337.2982 567922.2718 393796.8903 1175227.546 965256.6385 803205.0736 1010024.892 665751.4401 760405.5522 703485.6753 574569.8267 195521.9933 191066.5682 206959.2918 317256.6228 293829.4992 309245.1359 89455.56367 118285.7568 124839.1395 601427.663 586636.2593 579813.496 588770.92 5-Guanidino-2-oxopentanoate 380893.3793 410554.6874 618984.7733 489623.4084 371129.069 260606.3812 269810.6319 299903.74 497007.2021 610222.0326 745627.8817 493911.3636 406192.9456 386024.9895 492383.1898 468928.9508 573926.3719 425939.9497 599956.9232 291619.0672 286372.4723 241104.6273 329080.9447 376855.4049 389719.5765 247556.3196 901091.7265 1284647.771 1343606.84 398138.0448 279524.2349 471408.3126 304108.2349 366572.4742 407765.1377 349544.5671 309402.3827 332347.0969 239687.8511 606626.0006 428032.7704 363355.5645 497372.6099 495648.8816 441916.8374 356157.9767 399427.1636 431067.4057 402534.1115 481041.5628 429556.8218 456157.2069 461792.3702 594886.3176 549476.942 284548.7546 240078.0774 217076.3997 206295.6306 272494.7251 194365.3104 392183.9634 569565.8981 484188.2336 386823.9339 491385.3815 321367.8982 498304.3444 N-Acetylornithine 3562355.292 3452116.063 5248208.678 4091660.349 3398681.109 2434635.014 2813393.611 3043178.887 4412000.39 6081596.065 6680660.325 4941847.759 4165793.332 3075132.121 4439235.947 5909696.112 7518798 7270908.06 7379808.528 2848843.341 2849811.428 2227338.913 2711155.962 3233208.117 3980989.74 2501038.328 3842381.191 5240023.847 4454232.505 2704114.25 2642694.785 4867958.051 2610265.96 3646677.058 3248969.801 2422608.801 1745849.476 2257431.838 1649863.724 2510671.454 2013605.12 1595766.817 2812455.793 2547204.099 2884234.135 2114850.429 1780288.991 4726000.428 3974366.179 4762392.588 3992059.814 2386772.818 2366194.917 4084934.313 2689428.634 2743902.624 3247093.247 3687596.118 2840160.372 3212788.173 2563825.437 1915559.896 3137899.459 2987199.574 4163708.348 5783290.668 4523209.693 4897235.666 L-Arginine 12550660.02 14433295.16 15530722.11 15710665.49 15193310.74 12147114.12 14422416.74 15985593.74 13984476.27 13659888.78 18558596.16 16200569.98 11652450.95 10834945.9 12938220.75 12305906.78 16321057.4 12872062.64 17449453.81 9521210.837 9521776.273 8920380.781 11606986.41 11021902.29 15592324.83 10150271.57 12845091.9 16407040.04 15046579.23 15184996.66 10572320.39 16602380.67 16504513.92 14153636.13 14789400.16 9075518.066 6898948.611 10747998.95 7342195.734 15360916.06 13294196.99 10895437.68 14965829.38 17144072.13 15645806.39 14186712.1 13022063.11 15221754.92 14060045.56 18254798.22 14304216.64 13421529.6 11172903.97 18788010.13 16688791.72 18248057.76 18299189.4 16634369.83 14603771.27 16692918.81 11875764.42 8586686.943 14558286.98 14477671 15382957.95 18853435.54 11291432.23 13960492.67 Ne,Ne dimethyllysine 72482.8672 95644.19952 112969.0901 104692.8848 103280.7293 79155.12924 92658.91643 85950.90348 102313.7183 162949.468 142377.9318 105546.0315 79358.72981 58649.42689 108762.2137 59263.39951 76308.93551 59759.70543 72461.55112 78420.5861 73764.99825 87650.3591 74243.00192 109287.6065 110049.4435 79758.02658 133781.2245 204483.7969 191226.3721 88265.86086 68182.62079 108652.1486 74804.76351 80822.20133 80294.05819 78267.50328 58601.14843 90716.51761 52439.66016 71886.11698 67064.80306 64599.28573 93991.31116 96833.76328 84846.94706 60057.18629 63055.26114 90494.73246 90311.90661 92952.80882 74490.90016 82209.74292 77114.38947 118962.0532 119541.7883 72094.67568 85122.07223 91814.38593 69113.74198 64964.04482 65314.75927 49389.18305 77588.29029 79590.96513 83241.04747 109738.0418 62665.7145 91262.86046 L-Citrulline 3066551.316 2494851.494 3492047.176 2716248.183 2297888.244 1607475.321 2026114.303 2247354.959 1418483.387 1567497.85 2641544.798 3051645.147 2618749.364 2281087.799 2481765.052 1416592.721 1558174.669 1343194.969 1980187.813 2046987.074 2093795.594 1674673.838 2094333.448 2801383.894 2511884.346 2209064.402 1930926.397 2461888.538 2082532.222 1889285.847 1954365.232 2534676.254 1855685.21 2209531.213 2245421.91 2147764.23 1509983.875 2267790.985 1539246.325 1395304.106 1139114.477 1130555.973 1557498.808 1924008.842 1625756.737 1338312.191 1353156.382 2393112.588 2618850.448 3129051.39 2325213.373 1386851.24 1520627.128 1923605.72 1716161.883 1662089.507 2126302.905 1786000.841 1659023.506 1982613.794 1614820.047 1282722.426 2041137.477 2085227.566 2917837.906 2875825.184 2286337.036 2722639.572 D-Glucuronolactone 2026724.553 2446223.156 2182038.218 1953082.968 875112.2215 961452.8827 684934.5479 727640.6566 2563000.604 1449990.972 1408623.209 2363386.308 2033667.693 2463053.811 2107174.054 1156589.375 1249198.213 1188284.94 1695042.012 1547403.191 1573837.397 1497321.961 1812427.042 1785568.64 1916237.235 1784304.85 1467516.751 2088221.604 1811060.661 1673048.528 1248381.802 1682604.361 2247767.756 1785782.713 2207282.589 1772154.557 1729431.706 2418133.964 1958657.214 1535243.779 1306868.849 1608066.079 2529618.924 1947968.057 2055586.484 1688630.187 1352974.12 1379873.108 1659230.61 1666903.909 1829390.19 1765942.103 1220036.932 1702485.083 2111053.986 587532.8217 647890.8205 755919.38 501576.3858 730682.362 648297.9567 1536702.192 1885951.338 2174235.164 1532940.473 1267536.452 1354415.25 1575823.904 Allantoate 0 0 0 0 54725.75463 103279.775 90506.94692 61607.81952 125299.077 98919.06496 128916.3576 192496.9387 135306.9464 120838.0204 156096.6423 0 62282.24589 46252.96742 52189.89168 268853.4725 317108.4061 246413.143 278220.3123 221240.2991 211042.8145 220975.1353 108531.6499 97330.35434 153724.827 158010.3263 161412.1568 150112.0039 145927.2738 156107.7978 205793.5464 233788.9101 264718.7875 200648.7665 231241.9307 42806.04277 86599.02588 93858.38072 45044.77711 151444.1193 111518.7273 138262.1994 181941.2215 0 0 0 0 120659.7171 91560.6639 67998.33995 58581.83836 61033.03949 49784.02046 67733.03169 110626.1944 130332.3913 131453.0903 0 55064.12082 0 0 0 0 0 3-Propylmalate 149591.2424 148935.7894 167832.6774 152120.1195 51052.58545 50956.25249 48242.21472 47782.11468 64273.51347 72257.41567 68044.95037 103000.8221 95585.57943 94622.57176 102867.7334 119619.6254 130773.3388 132615.8259 140704.0566 56973.43027 50212.15763 47635.19684 63354.38851 74314.19207 65944.97039 62273.73558 57287.32626 78159.47919 64992.93703 76147.01661 62281.05962 80483.98222 64712.75728 71796.26942 69920.49995 53781.64236 48548.58956 46682.20732 44873.51861 69561.92038 66268.10551 68222.81844 64715.54061 63639.05659 61001.95186 65680.27246 56057.06515 157507.2667 149250.5691 163118.6156 147643.6446 63534.94275 62628.61708 62304.07663 62473.90226 40250.97223 34183.45591 34095.34851 38341.91612 43490.37537 42395.02804 116491.2847 133348.6823 136382.0634 158698.3864 149352.9373 140625.8641 176257.4483 4-Hydroxy-4-methylglutamate 21711725.73 21601508.87 21178257.42 22053480.75 11346902.96 9173987.891 8011595.318 9795497.903 16397638.2 18406121.32 17587506.83 10578454.37 11090887.05 10592234.61 12408585.98 16051182.76 18351428.18 16495309.91 18070185.37 7830490.031 8721627.006 7242466.384 8426916.208 10364958.07 11125773.45 10754011.47 11941921.37 14687524.93 11511539.53 11064616.62 8727790.846 13137536.01 10485590.77 12523823.48 10397856.47 8256981.272 7130239.784 9648771.787 6349053.27 10215009.18 10035488.2 8818528.499 11076032.31 9807307.636 10342143.21 10116724.01 8556990.208 23126975.7 21345705.53 21993732.8 22362930.24 10524796.6 11172903.97 11818264.43 10686103.79 7493332.927 7704032.38 7162322.481 7556633.962 8366436.977 7457826.387 10294808.37 12651844.64 13579056.94 20060208.68 21790746.15 20939848.93 22410264.55 D-Glucono-1,5-lactone 363253.3178 469859.3657 539655.139 624059.6522 532230.5702 543063.6726 570614.3631 542947.49 319902.0886 428093.4984 547367.2824 575590.1157 312063.8677 380746.4057 443657.737 303954.4931 428390.1754 327961.3844 510888.9278 392207.7613 385345.8857 355418.5621 353726.4331 683790.4202 650305.7722 514948.4379 548924.1516 814221.035 755500.13 593887.2954 448829.9177 752777.8813 431774.026 678292.1563 581379.7693 318570.5369 329465.9975 267729.5815 299566.0015 679911.8271 425914.6113 399792.1216 322880.084 647809.8211 398303.3649 334686.5629 371204.6433 429494.4297 684681.3195 813338.1361 390627.8837 429406.6621 436116.4125 585936.9369 554984.9441 581749.3191 604691.5531 532647.7731 421641.1589 625939.2722 479056.2383 291045.6959 577669.7945 720490.4083 638674.7543 493464.596 447558.2325 522152.046 beta-D-Digitalopyranose 99817.75528 109574.297 109391.5211 95984.49683 30993.35851 33133.07123 34471.01317 33145.56046 39036.20317 38384.83914 45851.42437 56976.54699 63102.83687 66882.29695 56924.43548 94110.55073 105254.9458 111175.7294 98379.03347 38750.30853 34067.74279 28903.65584 49712.54627 45429.86608 42437.95457 43804.52888 43360.64454 42551.46131 44450.99979 48895.27218 51522.71449 44244.93 56644.90428 39166.24079 49178.74535 34754.36534 39820.39868 31565.84431 39821.81804 35207.40562 49268.74143 46313.70574 40126.37802 40224.89628 38926.22558 50347.86032 42143.57042 105718.8526 117442.2424 116421.5135 106970.3255 46024.41048 42053.22593 36087.92273 40826.95369 27927.43563 26458.0175 23923.9759 33311.68772 27353.14567 28856.22249 104664.9397 67648.52913 77302.28404 117250.4663 103231.2263 133324.783 106958.1395 N-Acetylanthranilate 114405.5357 114738.5288 90034.31808 115367.9954 279705.7857 287885.253 209271.7164 270480.5555 273632.2808 256744.899 287929.2352 453325.7456 350270.1091 468668.141 487237.8827 327658.1441 269791.5691 326859.5716 237222.07 662249.6666 597300.8756 620729.3587 774257.2752 493120.8596 419991.197 581109.4432 352986.5122 315324.883 293514.3179 344872.591 344916.1673 319922.8678 564685.3925 414350.3783 470543.3973 762071.8765 743759.088 667249.8207 892758.4729 208878.2407 275559.1609 238847.3526 245365.638 408950.083 446738.5717 553297.3903 441354.8368 140827.5925 103993.5792 122313.4456 112764.9498 265538.8982 293356.042 297700.9637 241610.7453 166289.4932 141695.0467 149057.9803 263452.7535 235010.9365 257300.4601 163394.1317 151764.9018 180409.5346 72882.39062 60740.84034 102032.1331 57994.53499 3-(4-Hydroxyphenyl)pyruvate 595099.164 672329.2851 739022.1559 730754.3433 494726.5317 442650.911 458874.7767 468858.3439 892562.5144 874748.3111 1055105.69 1363925.987 1265202.153 1333117.801 1336921.199 915518.1998 1034627.36 892726.3509 1080229.56 1514571.429 1584991.278 1473797.436 1771036.944 1170340.619 1264285.184 1175292.9 811541.8673 993906.2447 816719.3697 952246.0986 978084.0021 1170230.622 1270310.425 1302470.994 1149697.855 3649575.131 3885829.565 3510046.078 3623894.134 1986470.977 1815395.461 1712713.738 2057655.342 2734100.688 2656728.696 2935200.798 2635030.863 541015.8602 418183.4614 492271.9752 426755.0023 2194658.588 2068925.975 2005171.744 2053785.704 363142.494 377417.7129 347997.9979 451954.4865 560251.4328 519970.2815 719448.8239 872681.4567 882724.4438 404985.7309 426736.3277 403303.5685 431415.1006 D-Fructose 128761.4839 153849.1791 134409.404 174431.3077 1110957.239 823264.7909 1177033.674 1007047.376 1226826.354 1471682.557 1642124.068 2350412.907 1096975.771 1043709.691 1199995.006 807460.0992 971358.0784 871894.4669 930584.3719 2466665.632 2169087.84 3659297.841 2401606.066 1951743.499 1810461.178 1672779.704 917395.2716 1682829.437 1104006.947 1143020.669 1070919.8 1220720.717 1327301.824 1412488.924 1476577.9 2261117.034 2141028.891 2276683.733 2242854.065 542361.1601 439784.6772 771060.8184 467327.9658 2332131.527 2298616.74 2385363.209 2308573.174 346613.6036 406865.2046 634914.4599 374767.328 593299.9835 598279.7325 690075.2785 699115.7479 781579.9625 808561.26 886280.943 888485.8166 1038094.661 971447.1458 701292.8172 764715.7814 849158.1508 130573.1602 220744.5278 142211.4741 129216.3283 D-Glucose 128761.4839 153849.1791 134409.404 174431.3077 1747568.018 1835158.393 1667886.839 1855561.425 1265254.114 1471682.557 1642124.068 2407491.066 2197126.485 2132278.05 2378399.261 1810767.635 1833886.526 1529786.125 1796155.907 4400008.026 3954166.044 3686294.297 5130988.713 3186872.302 2922300.729 2880035.859 1706750.191 1714421.766 1774076.328 2195838.602 1852598.317 2199305.999 2682108.984 2664637.737 2715049.058 4457904.049 4019928.146 4352170.117 3815153.579 850157.7718 850906.1566 773504.5292 848029.6565 2332131.527 2298616.74 2385363.209 2308573.174 629900.1339 730031.5172 735655.9282 640576.1262 1144322.873 1230770.709 1174364.422 1153730.39 1300038.669 1238727.223 1286163.547 1659427.626 1639793.567 1553911.753 701292.8172 764715.7814 882606.2511 243515.8623 220744.5278 194147.5499 246413.143 myo-Inositol 578809.7013 596763.7198 591368.8649 610405.1567 1102136.705 955025.1691 784083.229 988500.1467 583204.6458 657868.3469 580636.4321 897581.7611 957513.9212 930778.6167 1085078.826 787832.7798 842904.9141 823421.3182 807998.6829 1196637.782 1250918.257 1164181.978 1342623.406 932620.1645 993061.5658 971804.1562 659615.4139 740493.7351 563969.1865 745184.7298 615853.3696 783520.4821 943826.9455 962825.6521 1039080.797 1490547.163 1199718.392 1467919.713 1124557.941 533645.7124 731776.1615 618467.6204 627323.6013 1010107.674 1024705.599 1185358.284 1073486.847 530172.0944 586552.2673 611281.3005 634041.0131 711119.831 750076.3905 732603.4546 639961.6083 952509.8909 845020.233 850410.8491 857457.389 996555.9372 988216.076 447661.379 488272.1094 521446.3327 481024.8354 478863.9423 465437.795 443162.5222 DL-Methionine sulfone 600670.1226 588631.0666 663417.3457 643390.2356 357633.0458 260401.8159 296138.8096 307223.9036 278350.9377 315786.4944 363453.5164 405347.5541 409928.1791 404812.4006 448336.6346 357283.0431 388266.4616 334190.4199 396009.3193 292691.9733 284539.9555 292681.7307 364295.1777 307157.7825 317045.2833 308486.593 260888.3794 266741.2597 272312.2658 319351.3421 256815.5549 384381.2949 282760.1384 373730.9706 336006.5421 246413.143 228645.8119 255030.168 223989.5348 223844.2131 199774.1422 205849.397 219305.8519 278886.0464 247591.4885 244966.5092 229329.9332 655100.8109 617068.5976 697264.3555 592345.7956 227191.841 215004.2903 246413.143 226672.4834 259048.3096 282217.9584 246413.143 283455.7061 272066.0261 263700.217 246413.143 344150.349 401910.038 565752.6477 702643.7195 553121.6439 651109.8583 L-Tyrosine 924118.2663 964765.2207 1156006.063 1084016.158 1222316.754 1045949.797 1146173.561 1164582.658 1327933.035 1328802.291 1659714.542 1520253.535 1438272.726 1328854.994 1380735.708 1622425.063 2145142.366 1707922.838 2074184.331 3607141.095 3681893.252 3305026.456 4145432.412 1887327.434 1904602.681 1703116.93 1091390.258 1319464.728 1260960.897 1952435.71 1627873.689 2140108.586 1584319.868 1872518.554 1761508.115 8908994.799 6864712.572 8732749.149 6246581.48 2772806.254 2666021.956 2447635.075 2619023.273 6791982.027 5762957.101 5977625.808 4663844.815 442480.6996 546900.2226 616218.9622 525572.5225 3151988.534 3680807.662 3984337.246 3468841.217 1081852.372 1259525.954 1217035.024 1333399.724 1462563.404 1336111.338 842111.1494 888631.3928 1080862.854 884919.8574 882132.0974 916933.0816 895882.7583 3-(4-Hydroxyphenyl)lactate 175326.2935 179949.7259 182006.8144 182405.553 134583.9452 123389.4226 135141.024 102118.2788 130972.9817 125283.6089 122072.4538 167349.1833 158408.3802 179333.0934 168324.6559 155282.2854 149888.1083 157735.1346 148043.0865 172803.4231 166064.6416 136944.8831 211511.4457 152300.8262 143270.7645 172706.0266 134998.6387 134893.0388 119191.044 180609.3159 147101.4051 177708.5103 167286.4123 148673.0643 161619.2762 350006.0447 324309.2746 329073.3847 314064.4306 320081.3603 318313.3908 312736.779 333018.1149 304115.8366 298975.6978 405586.7105 352592.5826 117247.1704 116545.0857 116906.9994 100563.3098 332681.5182 315702.0178 289314.9391 270958.2412 77828.96097 89192.80502 88633.08954 128369.9644 139205.1391 141198.2596 150817.6077 132023.4612 150414.2028 150742.4317 138330.1349 146706.3015 145826.3583 methylphoracetophenone 80143.17142 111914.4479 89332.40223 102805.4018 98678.35208 193764.4272 220593.7492 121078.5157 155354.0558 137635.3264 126290.758 69347.38013 79404.37337 118392.1659 69867.53288 117575.3902 72735.04368 116436.3582 68746.16558 79395.95874 94920.50728 96230.07361 108204.091 115938.5536 81670.72078 160767.8231 131515.364 63405.64769 84949.92858 141385.1276 152788.8092 69186.60358 197162.1497 82245.37223 111431.8747 91330.68116 103665.2354 59994.89791 197538.3276 93314.92491 132580.9245 162734.4093 66297.1356 68640.90046 73113.02213 151770.9449 175635.977 73523.62547 169503.1561 126507.9425 107933.0191 128267.926 131588.2555 56103.15261 72297.94424 168927.9909 143400.7714 142652.008 195670.7534 124980.786 211433.5092 259965.4508 101251.9111 111878.2854 116200.0499 74390.12355 163682.4351 82574.21175 Mannitol 2035223.503 1987368.36 2147825.332 2080716.146 3319347.026 2900716.993 3219089.309 3792393.552 2780712.187 3131651.342 3152963.061 4260193.612 4348917.214 4481079.215 5051522.112 3137804.52 3320726.07 3320197.431 3353077.388 5474388.844 5948507.685 5119238.504 6511959.579 4290395.131 4575756.535 4474421.042 2957154.658 3082668.242 2846627.881 3619287.307 3445549.232 4101599.377 4312739.017 4695741.994 4478992.947 5838321.154 6015883.806 5870699.317 5447966.49 2144185.342 2294950.95 2017618.445 2395680.026 3977130.888 3831808.809 4465852.673 4187881.735 1504255.66 1552910.143 1514004.991 1510303.033 2786726.193 3055797.562 2948090.912 2562206.281 1942124.873 2126702.92 2106794.492 3067125.912 3108754.693 2801519.917 2214538.868 2319176.712 2562822.094 1221072.698 1242900.015 1244927.96 1281143.161 Choline phosphate 175892461.6 126896756.1 157660360.8 132711211.6 137509078.3 93632897.91 104650798.6 115951841.9 75260954.82 94461603.76 134873518.6 130936113.6 87042404.68 102082186.4 107440195.7 64846778.36 102299450.7 82285852.3 102765558 75102654.45 75214031.06 62980964.3 72061361.16 92269067.71 121002937.5 73673674.55 97442064.32 144009390.7 145933690.1 98939743.86 69518889.45 124878776.4 107729463.6 121807050.3 98441944.81 71605004.93 54691495.6 86106127.97 62345893.66 129799740.7 94195635.06 95024443.71 102189583.9 89089283.1 92814105.72 85250425.92 68098981.67 81827444.94 138044083.7 149557383 106777955.2 100420077.6 111729039.7 123031163.1 127309755 123351212.1 143938745.9 127301045.1 122068520.7 109659635.9 90268969.61 110285813.8 144716305.1 193701253.4 110175239.4 152330294.4 82768997.45 147871007.9 3-Phospho-D-glycerate 1214010.801 1194565.862 1277615.735 1305245.992 3990910.352 2881359.829 2312661.377 3383676.818 2180648.501 2617526.699 2323127.303 2214740.346 1972003.414 1949306.22 2537024.685 1529505.033 1805053.504 1547075.093 1887414.998 1591023.674 1852818.04 1485004.626 1713882.256 2180227.271 2620968.291 1963134.9 2674546.58 3347517.274 3065455.902 1594528.305 1145837.868 2152763.21 1354283.61 1705350.816 1630375.097 1713480.708 1207802.142 1745354.42 1034271.715 1901941.968 1693093.11 1588316.489 2101088.058 1712595.481 1972285.327 1642846.804 1514675.953 2479681.693 2374895.876 2527839.782 2676690.389 2711386.512 2711651.708 2974625.34 2657767.919 2009333.071 1851370.695 1760436.324 1492464.65 1737031.585 1474974.865 1673636.225 2605994.68 2716505.817 1147277.504 1326919.223 1014659.746 1331870.265 7,8-diketopelargonate 20154.14237 17237.36119 19883.71192 14446.02381 34123.58695 25552.7528 22336.51581 16943.08912 25065.37107 23569.28164 19181.33881 8756.395219 19466.25891 17704.98501 12268.87634 189026.3023 171236.4687 154079.6328 164512.7759 16067.60277 12642.49594 14154.69117 23987.98219 15053.27273 11914.9731 20997.98 26409.69397 13168.55834 14595.78997 18376.89866 24288.75912 15352.33955 29607.18144 14571.29405 17463.82722 17344.10731 17059.26512 10689.40928 24710.38063 35074.7047 44357.39405 33949.4494 53787.64714 11678.70679 15903.94045 25117.23721 40029.8081 45198.23781 47144.79069 44110.18805 32136.9241 21647.60825 24433.28904 19950.63189 28383.53055 19450.85669 24557.22755 32448.054 39550.82277 23054.51092 47540.29809 33671.57354 21385.96719 13948.97275 37828.82029 45962.84322 19569.23887 39821.44429 FA hydroxy(4:0) N-(3S-hydroxy-butanoyl)-homoserine lactone 136918.912 111798.7363 177560.5814 228518.5975 102383.7726 85479.86722 304861.971 90796.22876 132286.1505 115559.4485 405679.785 192468.2386 121162.8848 192372.0412 182809.5875 96698.45282 133115.9034 64573.93881 165905.704 411586.4264 67029.79806 365152.3508 95750.05787 55793.71406 155666.485 49581.62942 62584.89179 102124.0065 67861.04957 120814.6009 109288.8367 74976.96584 105002.9015 110801.5394 183520.0996 55979.13152 93738.50833 51117.53168 224754.5298 65217.12127 80687.14726 95906.99277 85221.76579 70597.76481 64412.91168 104992.4072 76137.59171 87762.76645 70293.03799 139121.6833 122362.8541 66233.03079 88263.85149 113361.0197 137835.6704 67994.75861 108479.6991 363975.3918 69254.35847 74928.24768 100499.2913 516010.1588 200033.4358 1063740.387 124735.6834 183418.3331 127613.3795 161094.212 6-Acetamido-2-oxohexanoate 999203.048 1303729.765 1405096.687 1242785.973 607119.8894 500431.2897 535487.5995 802352.2699 710607.5499 688506.8697 820723.0292 1327119.901 939723.7523 1433925.288 1385851.317 722912.5004 906563.5781 1326894.767 1699950.792 434481.9887 570652.8544 457867.6213 411290.6926 784113.9398 613687.0045 602746.4444 848178.666 888053.3421 991428.3963 943544.013 664063.2823 1287886.731 501409.1492 664546.8848 502349.9594 329847.0502 277500.6433 386181.9 292792.421 702988.1472 637268.9081 462272.228 811578.6319 445966.7269 743957.431 542158.869 381973.4467 1400648.596 924563.9109 1049699.147 1111297.613 546163.2577 481767.7298 540418.5505 523785.8087 419159.3456 476794.0622 444415.2434 413842.8315 738511.3409 413371.7644 695270.229 1787028.319 1999036.624 856432.737 1591944.648 859464.9573 871161.7222 N2-Acetyl-L-aminoadipate semialdehyde 107201.5527 117215.407 137171.6101 102775.1438 112676.9926 71581.04145 54634.26354 68510.46768 122512.3983 74915.8666 87128.52905 57984.68455 133216.1958 82149.78637 154935.288 84647.41709 126184.8472 133390.3992 61452.6452 32466.02402 57729.15053 43821.50276 63483.35451 64109.84594 108269.6878 71466.22392 32956.09658 87942.50703 68481.48019 103555.3841 121768.196 89098.81318 95319.19443 30132.72609 61157.40124 48361.08558 36568.22933 41659.36894 38480.0804 66065.84789 80076.30306 86201.23416 94714.39523 59986.50126 22428.54937 91461.01707 56252.06856 151705.3655 113309.6575 128857.9384 104126.843 58600.7956 81314.19108 107143.41 71245.28359 46100.86611 72971.29104 62265.39016 61790.2298 66432.27931 88699.1205 110242.3581 181365.3033 154926.6962 115967.5109 166009.1108 123065.3182 142916.6403 N-Acetylglutamine 208742.7836 267962.2071 204079.6081 196021.2902 0 155854.8846 123908.793 134208.4963 78867.49906 44094.96478 128396.1673 167036.4762 0 0 0 61959.0619 0 0 0 0 0 0 0 0 0 0 135013.3936 60058.06746 0 142376.2396 0 0 0 0 0 0 0 0 0 57087.43445 78530.16026 0 0 0 0 0 0 199851.5108 323884.4134 218439.7094 246413.143 74940.2632 0 0 0 104303.7078 100159.0772 284113.5116 162871.3373 53081.21464 126302.2218 85681.23473 59500.64776 0 246897.8069 240373.8317 309704.8091 227756.4543 N6-Acetyl-L-lysine 29132188.95 29157193.58 42121200.86 41374671.85 16731873.86 14825540.66 16422373.22 14634698.49 30272562.83 32992104.25 47151782.11 30551759.83 27586826.65 23263266.2 30416168.08 28036065.89 36468582.81 29176675.32 37381833.85 15595086.72 15922970.41 13995769.85 16790996.77 20679188.1 24525427.6 18598638 20070456.09 25219555 22932437.02 22777494.99 17412953.19 24687018.22 14542653.86 19900870.19 15713737.67 10324442.57 8771294.012 11847226.12 7983583.456 16973812.25 13862325.06 12588302.13 19317127.79 18716235.95 18761708.51 14707325.39 11280608.23 33723335.48 35277932.49 42337935.64 34451000.63 12069720.87 12247221.66 17212241.53 16886682.53 13466663.47 15063357.13 15946999.18 14630077.96 17463361.22 13087206.64 17483269.38 33276084.53 38540558.67 32221060.58 41258967.62 26599267.56 41330405.93 Homoarginine 67914.40119 63803.83731 85811.80496 81044.4529 64506.60994 51386.81175 68948.28081 76455.44673 37691.91655 35615.40612 48517.79797 85906.75875 73366.49748 59073.32256 73460.69101 38693.79626 56071.72115 40601.52854 57893.2185 70964.63414 57539.27762 56828.45488 61332.42254 61574.91503 81857.47842 57657.82779 99889.93084 166746.4965 156054.2567 73755.84304 59204.64834 78287.88882 51190.97124 80039.41545 62477.23604 102216.6454 99544.07566 111831.6409 85903.96656 136840.5006 91084.94742 68371.15416 124050.3876 119351.8574 93440.53882 91376.08186 76678.80609 42719.39395 54116.67098 54838.18536 54200.81035 86950.63122 84229.44446 146560.409 120300.1636 63932.25049 88241.91316 65689.67743 61049.83602 68150.92264 65391.49887 49983.29157 61984.05971 88598.00321 69481.37972 93204.34517 62801.68977 73097.12097 FA hydroxy(10:0) 53539.35071 62559.25696 67457.68902 82772.17631 105254.0792 93301.83965 86034.11778 99199.24573 80775.05484 80444.96977 78888.30499 68342.35761 61429.54096 63085.8003 64988.78095 49912.18525 68710.4559 60490.5749 65365.2908 60347.45164 58670.84496 77043.84125 64939.59908 73607.97844 84671.36137 75678.78952 59538.66695 64438.99119 70317.25775 69820.20499 74982.09967 85554.53205 76055.67789 80016.73747 77681.1077 42109.2915 41967.71492 47476.79971 37803.62251 49465.2369 43274.93697 40596.31323 48146.44731 41646.04054 47066.65971 54501.42397 44277.35927 82318.1836 70801.61621 98981.9697 82233.45878 46918.46751 47154.24579 50337.82348 54809.07581 94674.14402 101079.2583 98600.73196 98949.48914 104295.5911 103693.9602 68433.81477 75705.8748 75129.1903 61742.40554 63833.90206 60404.45621 64398.08942 N6,N6,N6-Trimethyl-L-lysine 225533.7717 238132.615 327494.7634 281362.0704 257251.599 196250.2548 206912.7403 271516.6464 363918.1629 407158.7421 433526.8507 299328.3703 259123.1987 229980.3907 285929.9969 218833.4491 373086.3164 279610.997 322209.5313 209540.8305 217360.3983 203027.3139 188559.4867 322737.5694 333413.646 223220.3306 801001.8046 1145053.683 970259.9667 274887.9034 173389.9695 338907.284 201996.3781 373421.8959 259638.5352 318255.9379 188994.1597 332794.803 181074.4246 313218.679 259997.3872 281414.7946 397737.2712 383712.5489 395158.4583 246413.143 263111.3868 250621.8059 280661.9561 331763.1222 268463.5463 335320.774 296994.3532 389150.1446 422446.2955 277291.9909 278020.669 315434.2858 264291.4663 315467.5147 263004.3 110794.6914 240389.4893 243239.8029 259281.7214 374008.6564 259015.4525 313386.8845 N-Acetyl-L-glutamate 80028.30024 81100.23295 98260.37981 56602.98225 110788.9624 47394.14378 71042.37672 83059.99645 106173.3825 138625.3609 109745.8741 265780.869 348928.3881 290975.2605 297802.1623 39559.00935 66831.31967 48571.92761 53582.26476 172783.1085 161350.1247 177616.1001 230543.0822 85165.31228 168271.2707 145833.0784 149456.627 123736.3748 131734.6281 140273.8164 90856.35135 184051.9732 155271.7475 129208.7453 114405.4341 331935.6682 209352.0628 150229.2585 136991.9687 136227.048 76496.34163 76563.68416 161277.4246 151574.8172 143170.1813 130864.7422 116057.296 51386.12955 44337.3401 38697.00633 44592.56904 158633.3673 115171.8502 122985.7082 194994.4934 43769.12748 35757.11907 48524.42654 42833.5836 50042.19553 46384.55904 109766.1192 108138.1488 122589.687 47925.99365 72940.38145 61446.43034 57488.84026 L-2-Amino-6-oxoheptanedioate 116407.2859 135471.8226 116111.3528 128497.0969 31275.78964 32766.22368 47418.21689 32431.41093 29454.77771 30023.05228 26096.03436 24391.79824 20572.52061 34511.44586 24396.24385 76109.79298 76914.75837 70315.05007 72055.30059 20829.38487 15007.01829 17377.92369 29665.57463 34911.69508 32716.2517 31903.30694 27617.1769 29363.02388 34722.20868 41970.89423 30083.27549 25930.21452 34329.91644 25090.85509 33692.24215 128809.5721 124843.5765 98995.85466 102982.8263 171151.5787 208545.3473 183554.8385 144863.3154 149719.2427 95998.29251 146941.5957 140726.541 114553.1799 208848.9752 189316.313 130516.2104 215147.6326 155725.7231 168681.4633 231540.5355 41737.61647 42290.6105 41125.88565 48608.78046 46515.89167 45912.07653 25435.76629 27811.88296 38429.85831 142882.523 125876.6744 123460.6153 151753.1816 L-Homocitrulline 216388.4659 263652.8635 277988.0375 215425.685 179812.1416 147595.4132 125468.9082 154621.1304 129141.8903 118022.8228 135016.4593 167493.4117 130422.7664 205140.8291 169144.4786 93232.94395 158828.7801 129064.8648 157895.2064 133851.7572 113654.5521 145337.4787 131193.6639 178296.8028 175929.3507 123669.7128 120685.6752 142603.7207 163710.6768 139629.075 120286.3503 175978.9529 151547.7993 164399.7913 149158.7101 125658.6656 84705.18348 142079.9871 79448.30575 116730.7454 85813.287 73045.38568 108208.2001 105606.4315 130673.3835 96829.43487 79619.5794 225264.8903 235314.135 213715.0948 223787.1398 99404.61424 103372.9799 130073.5419 112969.5974 128552.1849 133567.2235 101365.4334 141086.577 120782.868 150584.7965 95317.90984 215939.5829 157974.2617 286534.4211 275764.5608 195138.2576 249803.6428 3-Dehydroquinate 370393.8532 345395.201 357176.3118 524628.3385 294667.5908 327908.1579 308706.4195 294245.5469 192703.1696 188136.1903 170936.3035 254268.1078 226284.587 305447.0504 333404.164 157581.5003 128918.0265 168596.161 170315.2689 188381.7734 279902.8405 234874.3469 346709.2321 246413.143 224430.0207 297290.2626 276830.86 268370.2988 274612.166 265439.3582 245013.7722 234348.8742 281819.5453 275300.6876 277523.6717 229954.1654 179860.7846 197369.1956 182084.6351 132968.3256 206387.1176 190156.2212 178515.5403 199988.7363 173315.7159 207805.8445 173426.8813 392788.1874 234293.883 313055.8717 335765.9873 211988.2624 237278.6897 169064.894 157704.722 223825.4028 221745.4312 234753.8975 290922.1161 278726.7816 288754.6511 228419.5279 184588.5854 233464.7384 326819.939 318842.9106 357607.0349 311486.7765 N-Carbamyl-L-glutamate 92584.70025 84431.26524 91986.33328 87182.65137 87879.58481 86485.37495 74527.55204 77706.23852 87651.84174 97832.53223 94429.99971 80520.1617 84616.4322 94347.5736 94215.45789 53036.39332 57932.98791 56435.65913 58329.21776 65820.37163 71435.43242 56613.91636 81614.06458 88198.62344 80698.6304 76184.09082 59054.81607 83184.3927 84101.45532 84284.99868 77248.59781 93373.68937 85519.8034 88146.73486 86986.40619 84739.36502 66503.25893 78654.72277 65077.4108 86017.94977 84660.05803 69906.37935 88578.97171 91297.89253 82018.45271 81244.0423 89107.90052 76849.10062 77048.85494 98186.10586 80466.50712 100402.3879 95069.58691 93262.76371 83182.62934 92181.29821 66862.58542 91053.12293 73146.32126 69470.95232 55433.81793 67589.90392 74743.27713 92986.98406 71221.70676 86869.36029 69678.25922 90732.95586 N5-acetyl-N5-hydroxy-L-ornithine 73658.91901 77041.85251 91031.19756 74620.6905 23394.05122 19374.41085 23357.4246 24373.85947 30047.5716 29773.46131 28416.0633 24075.89377 19495.31464 25613.91252 24149.36961 138263.3167 117642.0256 98636.23232 139462.0977 18822.4665 12229.60797 10823.37382 20235.19396 17771.93585 25323.62381 21564.31653 18714.47334 27283.2474 16309.00868 33124.37785 23797.77625 31501.65823 28243.63957 22034.32142 24366.78696 47324.03267 42983.47557 52338.75685 42021.20015 70234.5845 55522.45561 47241.76177 70897.5829 69520.77996 57427.16375 50896.19728 47360.99014 87728.45048 91176.18001 101195.5358 89942.37384 66770.43511 61387.94801 79606.90122 69120.61142 24505.87508 22702.4471 24927.27391 19718.90279 23364.95005 22602.07013 27831.90218 24563.00326 28043.20777 69861.21959 70354.22995 56691.41333 65399.4979 meso-2,6-Diaminoheptanedioate 108305.9264 91160.2745 91869.06849 102022.7655 23462.24232 12782.17391 13231.22732 23322.62595 11367.71387 27933.83949 33282.26403 10701.77407 15267.97648 9789.011792 9994.963942 91548.6064 129418.3591 91150.56921 130647.548 17674.00411 11422.4746 12650.75269 18254.17609 11459.33814 21091.41569 8745.821697 19564.03184 21266.40123 12727.36181 12859.06766 10437.80461 25668.46761 8719.133673 20428.48183 10441.07257 47036.20435 50328.3959 59550.25957 33294.64628 89843.68791 61135.63202 62676.11596 96820.76767 65745.22387 69828.59923 51561.10281 52520.62948 95153.83908 83118.21612 118564.923 97162.71364 75263.85996 90146.13162 106359.4367 84712.74273 31310.94903 32162.46203 28812.92384 23992.956 20930.43104 27031.15287 0 25311.91826 12377.9046 91244.10767 121572.5751 58191.19244 75462.44 3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene 6631758.22 1973544.605 6914686.143 7114622.194 3949760.28 1318010.859 1535222.658 7712344.824 1390542.844 895805.9558 3445355.632 4425116.524 7440721.691 1130076.227 9911736.363 1573260.156 1072883.645 7095783.648 2257761.723 1837641.503 5011510.89 4605715.252 1697691.917 1979341.03 2885898.538 3805942.379 6178033.603 9958858.365 2364802.423 10253128.03 2477095.274 5844525.962 9856911.327 3036562.484 1686057.333 5846756.806 4691862.835 1139812.007 2312111.869 582216.7849 377884.7443 628923.3783 1519561.09 2092571.567 1335407.033 3506383.207 964829.0173 14380773.98 2194093.596 9874482.227 8699545.526 6487141.842 791391.0902 4812946.675 5608252.627 5682987.323 7473902.778 3998846.143 2243441.653 13354335.05 863867.4077 2624394.53 4618980.503 6065361.357 9567565.82 3107494.97 6897378.253 7067238.573 a Cysteine adduct 4665078.039 6444161.156 6133369.242 6584215.49 4965803.801 4612412.402 4396361.818 5912844.848 7426561.118 6042309.993 6257918.163 9616776.703 7440721.691 6197096.171 10895343.79 6635507.055 6760646.619 7250218.365 7931569.913 12065672.35 13122447.97 10535277.3 12593247.58 10916931.79 11450613.55 12579305.59 7507574.374 6865536.652 7958077.744 8827108.552 6814676.867 8373374.6 11155446.72 7723200.044 10709392.88 11157058.91 11019255.7 10259453.55 12897121.73 4256982.956 6643427.25 6682039.252 4114127.923 8459738.648 8419565.305 10285297.94 8152764.636 3858845.224 6388920.491 6176370.219 6464933.248 5066043.251 5737982.884 6121254.912 4700717.452 3373538.242 3779697.012 3227881.938 4797460.554 4416929.946 5011423.862 5451371.542 4495842.525 3783507.424 4881463.654 3996697.789 5129230.143 4547724.17 N-Acetylmethionine 139824.4155 188548.1163 172265.4411 161700.4846 133681.1663 114756.5746 108422.1152 85939.08315 99710.13339 105902.1857 98551.06007 87780.00743 62447.77586 119384.4149 96332.35366 79506.60782 99745.22233 99274.19644 68130.6014 96181.55593 55218.15711 62765.55465 92437.82605 84870.624 81112.66196 137273.6275 127703.5061 83868.77311 103195.1452 97545.83643 122750.25 79731.5515 105040.5055 85648.58455 116001.7668 30136.57757 109130.1777 19781.58401 119482.9827 70309.65497 97389.98843 82166.99819 84843.54586 76795.72236 40558.42016 0 90609.57993 169612.6354 175348.4402 175116.489 154511.9981 87186.55654 143525.6875 75152.30566 78097.03135 122534.4038 104148.3301 95638.13222 161509.9146 100787.4198 164579.7004 92124.45818 96289.57572 57081.68524 172680.4428 158780.5196 215796.5063 135146.4235 Citrate 450521.8015 472123.4678 467531.9951 469357.8087 1362754.271 1084932.91 850688.3952 1223700.156 946527.1242 1135162.659 1146270.748 2158810.282 2287685.684 2062707.871 2556921.739 869354.53 1097956.089 955212.2891 1110009.415 2014470.087 2184736.159 1609041.752 2206128.692 1903828.534 1926755.761 1698783.195 1538750.062 1814212.214 1523466.714 1313208.298 952060.7756 1976179.567 1439309.802 1855598.097 1722744.433 2373023.168 1679358.171 2248983.056 1540837.724 919246.756 858596.9774 699331.2985 1215984.186 1583357.813 1626472.566 1483324.547 1762539.855 694623.3932 671477.4189 708683.1579 649667.6773 1072564.399 1061670.285 1183687.744 1174302.624 743450.5398 892866.1974 835023.5415 983961.8341 1100887.161 920455.6863 549633.3417 926971.8435 727358.5655 450928.8057 429070.465 281164.6042 358898.2916 D-Gluconic acid 20612397.84 20729699.09 23217645.17 21760735.43 23847728.26 18726579.58 17978905.44 19925704.87 15837035.19 17480027.17 17371709.2 20934983.13 19654736.54 18376918.05 24060550.87 15409135.45 17336242.79 15351126.56 16621811.73 16744198.37 17683298.79 16302764.87 18073642.36 21623922.58 22332756.92 21770498.74 24285251.87 25649433.77 21028954.1 22896127.78 19938496.02 25192308.06 22806237.42 24618748.9 24841570.58 17651466.33 15916780.99 17221225.59 14827892.77 17665053.47 19770857.06 17518472.86 19712700.37 18341911.23 20419103.26 18351618.4 19669727.75 22033700.49 20706612.55 21773795.47 22262196.32 21628939.79 21916080.87 22363792.7 19129445.06 18955346.82 17741287.28 17871637.01 17504749.8 19389467.23 18445557.99 14137475.14 17331294.03 19370125.34 20683842.11 20971031.56 22354703.58 21491811.08 CysteineMercaptoethanol disulfide 288654.2445 290060.0421 322725.9051 275311.4516 4023182.435 3591652.011 3669481.879 3971677.051 3070050.615 3807360.024 4279365.456 6567222.095 5778436.036 5168675.505 6439885.884 2724131.565 3342478.369 2984675.2 3770192.787 8782496.203 9681806.126 8920380.781 8699863.189 7221339.387 7777633.536 7343240.408 3821774.101 4970422.147 4899739.961 4959985.491 4856942.196 5914102.57 6040321.629 6386743.811 7224030.402 9741611.135 10281121.56 10870135.3 9782609.731 3539164.661 3016761.506 2810470.353 3086384.532 6462493.923 6762170.56 5753793.331 5827089.417 1299569.731 1438621.305 1643269.719 1370021.353 3605240.107 3375328.918 3753722.604 4315175.031 2782670.375 2947772.346 2935062.039 2869412.28 3407181.065 2982259.859 1657152.727 2463511.728 3508926.412 419315.6578 522220.6534 446158.4991 511347.1298 N-Acetyl-L-histidine 70854.78837 81718.18867 72357.0791 80616.1299 157390.2736 203490.2365 187581.9718 148494.6094 242432.3579 179803.9657 176315.0763 330211.9783 273646.8864 354528.4922 302608.4322 189886.8464 149342.0312 164152.7666 163852.3865 534551.9153 402882.8572 433703.2422 632188.0977 356484.3052 391758.6587 451902.6145 216170.2899 217286.7736 220120.4496 260874.2759 284648.8022 217261.3702 334620.6033 312396.9926 377664.1951 634850.5461 666107.8602 500405.6864 694561.2223 218703.6346 190176.8967 176822.5026 164613.9042 431662.5628 304271.1983 395080.3276 409434.743 105159.4032 108165.1587 128828.1181 96030.88936 207112.0197 227665.2418 169077.5645 197159.1715 120554.9117 139744.9957 120941.9215 136375.8944 136481.0234 147934.408 189619.3782 144372.6987 179689.3953 85693.7945 52704.81426 67431.98955 67409.48308 D-Erythrose 4-phosphate 102989.2017 110930.3926 128971.3104 110887.0328 23806.58596 22489.19019 0 24960.35777 30409.13865 31521.90039 31153.92407 24711.15152 21974.75773 22008.40295 30493.84883 46072.51244 54499.41008 46790.31271 49123.81724 22527.11719 29040.89878 19065.55364 36961.66675 29643.45335 26110.50612 36957.40966 33808.69504 38254.33036 34404.72429 28888.71238 26087.09982 37442.51619 27738.47308 25635.71647 23087.64918 72177.33759 60352.24677 80276.08284 72051.01972 84276.2139 88621.18901 93348.55543 102670.5136 103747.4648 103066.3767 86140.27808 87803.28512 74782.19287 55670.18618 73560.98617 84820.22714 124604.1924 146184.5231 141697.1553 140848.7434 21536.88972 18841.33296 19851.35847 24342.65011 27589.78837 18767.13577 14507.47798 19673.12421 35211.38078 64656.76311 58205.57946 59839.27704 71536.52502 3,6,8-Trimethylallantoin 48019.09649 40405.64731 44407.48751 46863.71139 18420.61778 16722.19742 21074.68465 14928.07956 14756.04722 7210.579036 15076.69192 4982.009025 4543.462577 6339.604668 4911.257093 29862.58808 36066.86468 38143.9851 38081.89189 0 3656.539543 5150.47567 0 5497.867248 10713.45968 5499.336057 11660.40775 10699.023 9269.353677 7517.356508 7986.40482 10109.43928 8001.135301 10988.2746 7486.991096 35313.50298 34727.14797 38523.89024 33148.36586 70494.41799 73984.28788 61738.43804 75845.82506 58338.72385 61002.89968 73187.67369 56023.86317 48618.7011 42601.97798 43060.782 42702.35999 79984.98408 78158.14786 83249.90014 72906.53572 20536.68216 22163.06036 24325.81922 17016.4255 25431.74959 18714.15931 0 5660.896111 5802.886112 37645.1773 33801.52343 39302.86894 35375.43351 Dodecanoic acid 1021596.815 703462.2781 789708.3445 803713.0028 1568645.748 1110790.168 1127606.419 1282327.321 1099339.448 1045964.743 1176204.981 448761.1055 439213.7366 504999.1353 513003.4792 2738517.705 2702690.381 2741377.245 2696406.507 1080343.169 867380.7085 1045876.485 1019726.052 895548.9803 865452.3958 786281.5707 623804.5772 512416.6232 640579.1053 299882.6082 381626.2199 400309.3844 743770.6684 541982.9902 552936.8931 401070.2225 376712.172 488174.7995 461681.306 486739.6671 512275.7958 536532.3874 709335.6458 776307.917 628064.9736 621564.4754 717010.7507 2488539.115 2240719.743 2200058.11 2202565.796 296199.8817 327483.3213 298076.7618 327154.4079 1066392.801 876823.1642 1346416.396 1343399.409 1422553.527 1378386.455 417281.5613 429700.4868 843842.7238 2020847.363 2133490.115 1842590.157 2270040.63 S-Sulfo-L-cysteine 19034.77823 17658.82673 16138.0068 14839.40415 180557.8488 107961.2595 100856.0809 136982.9415 119623.9131 173235.1002 122899.3128 235065.1384 207199.4429 206872.3458 246141.6343 58359.1369 66439.30193 53770.95594 68605.18085 294459.6815 378998.2015 298807.187 353858.7789 228754.6778 277135.8599 221552.806 129199.6332 171918.9346 137072.5523 164087.8468 128701.0603 220387.9639 203964.9399 234365.2356 243287.0227 344446.7174 291810.3568 445774.5543 271747.1799 91700.87665 75875.80374 82885.46191 102035.0427 183229.1542 198148.275 180958.1426 166726.0886 27850.20058 28570.36457 33658.66958 28291.75495 116563.5481 92790.17014 130203.2965 122012.084 84233.68996 96085.10161 94499.88937 95256.48191 138844.3052 89527.20032 46567.7157 78196.67964 79387.98912 11701.07653 17691.89569 17225.94527 12537.86656 Ovothiol A 1693605.759 1619215.806 2359454.167 1739414.624 1790300.526 1276969.774 1599406.078 1798463.867 2039263.894 1699806.462 2855113.238 1627238.696 1047420.741 969045.8266 1167207.682 1263519.546 2226505.571 1270134.691 2168082.911 1375091.641 981336.6669 1143926.081 962399.3009 1775184.696 1844237.645 1218960.141 1826319.431 2701910.1 2279998.633 2120557.795 1121062.292 2503978.091 1367493.598 2160287.067 1442205.399 1060558.38 694002.2433 1229214.671 349047.8262 1930624.446 1839190.795 1232569.724 1923790.449 2005700.533 1919526.806 1175800.474 926756.4524 1558428.288 1773260.136 2919921.782 1972611.537 1496023.797 1428082.985 2577537.412 2390840.755 1439399.635 1786537.587 1300282.484 1187248.908 1742003.186 1450370.45 685776.3675 1289355.878 1585576.556 1705377.845 1991489.42 1055728.909 2448807.953 Bergaptol 41847.77678 97702.38198 50418.46034 102534.7115 63667.89022 190507.6168 135269.5981 62690.73004 98991.19287 53191.89541 93431.93567 50889.79773 41998.1851 87593.53339 32588.02529 64543.69106 74292.66995 81879.01914 53848.62434 69558.23561 73374.89422 73087.44693 125489.9904 79105.55405 80665.25182 127379.258 73658.49545 44147.41147 44697.23811 111498.9521 159266.4008 53362.23957 70681.76478 81037.54167 139567.9773 83466.4963 135860.9547 28637.05038 144629.9079 53201.2727 90776.6758 139688.6902 30166.40894 42640.83481 51722.94969 56259.60216 76492.336 62726.86257 136792.7296 93842.84193 54882.58225 40554.06221 51362.19291 45068.26486 47931.19515 147233.3357 60576.87662 125800.1069 161353.6741 102513.5518 176769.9392 279299.4035 79507.56184 60499.85477 116789.9682 55743.38311 108108.3148 90875.05066 Arg-OEt 30805.73673 50506.13492 49243.591 46358.24925 54801.47328 68712.23776 65099.7575 56932.61822 61713.00847 65007.12943 72641.72227 93061.10896 61329.30948 68133.8718 101975.7245 56197.28502 101438.9896 69336.63178 78065.29148 89597.01786 75611.54272 105423.3767 83164.90881 127990.8972 92434.79233 79162.05243 89980.41755 122440.3798 96535.15723 72917.20655 61449.79049 121368.0496 71496.30005 88419.82902 78448.74111 98545.44484 75465.36309 112740.03 64611.45662 61100.63578 55463.53452 64742.22987 80112.11657 88918.00027 93106.80163 71828.91368 64233.75094 57017.28532 53861.64791 47474.0092 41401.02333 35724.26534 56599.40352 92052.01658 78059.3445 55227.87611 56211.42768 61977.74701 58561.18196 46933.94194 46171.96137 45643.22318 74903.21248 70457.53605 37609.02605 60518.67954 47274.35627 49221.6146 Indolepyruvate 1045202.706 1355067.979 1121122.237 1075134.631 1564388.977 1165646.521 1133896.068 1298230.876 1163569.399 1256743.194 1401475.048 2242300.918 1951386.122 2014577.873 2122712.403 2892995.626 2853764.024 3031646.072 3192744.496 2989965.333 2600100.445 2642771.235 2659520.44 2186043.555 2300303.604 2122573.887 1606675.76 1718910.059 1593389.572 1943246.414 1650331.912 1902480.697 2067732.017 2059871.522 2261910.647 13405123.02 10174495.88 13496066.87 10033059.5 6745999.743 6698925.409 4933329.697 7779594.126 9882172.58 10275847.42 8463699.379 7281274.997 1531515.846 1436275.355 1511651.661 1333219.601 6302064.742 6725534.38 7575810.534 6926178.382 1086083.905 1251129.248 1124450.493 1351144.196 1490520.672 1422535.613 652925.7997 1028446.137 976563.1533 958335.414 940047.4947 849346.9779 948584.3643 2-acetamidoglucal 106556.034 96746.02481 109853.0307 98395.41464 119837.509 73148.64814 95169.80148 123341.1157 75851.98041 93712.02822 93811.12414 134997.3061 133412.9844 115087.2916 141593.1499 135971.5003 139219.3274 130885.7103 158690.4756 92624.34357 89549.03652 96713.78557 106643.0348 106200.7112 116266.0201 84899.1105 78851.94549 106459.6922 84398.66917 105699.6625 93934.21128 135080.2287 103404.6245 124870.5754 104009.95 141108.3431 111704.1074 139702.0687 119283.0837 134320.3023 100217.4731 104669.0598 119028.1198 158036.7029 137392.9486 120599.5394 104847.8446 78773.01533 81256.718 84237.86953 85598.65637 106139.0433 122607.0602 142080.0368 151506.7612 99084.92017 92717.7352 89124.04403 93911.4699 99676.44783 91543.87979 67809.45186 94059.04494 101615.2002 96038.11103 109264.4965 92744.96078 105868.5021 N2-Acetyl-L-aminoadipate 298268.01 191904.8715 318822.6837 222016.1446 218149.1977 151841.4008 148736.8292 206547.9781 338241.1872 241402.1596 223089.7689 228054.8088 137002.2662 145147.893 232844.7515 233140.8715 317431.6083 275287.3546 302667.8026 131981.7576 126982.4384 92231.60059 118151.4084 170521.556 181422.2318 160644.1025 163199.8247 167678.7513 197851.8098 164684.718 142316.4569 200927.6052 163262.8979 184674.1111 187050.112 164107.1058 150564.5767 183998.2422 111195.5784 209179.7466 194911.25 195856.8584 215727.1356 179511.56 213070.8564 134199.1991 173288.3923 171137.3206 164333.8924 173634.9704 231409.0775 190326.8852 189299.477 207540.2387 208134.0722 166313.8726 173709.2396 171959.0225 204832.0041 212106.5865 138034.1271 177345.3725 279996.6956 232379.2251 162166.2918 264034.6159 192199.4056 216169.8338 O-Acetylcarnitine 2708184.855 2652884.694 3002276.638 2504518.666 4594511.5 3912402.591 3927935.006 4346525.997 2369781.417 2558300.663 2593298.382 3583960.368 3710951.14 3304128.171 3782534.233 2032670.287 2176683.786 1878386.134 2301580.716 3894598.352 3354162.714 3131592.722 4058950.325 4108432.972 4244930.443 3779211.522 5240308.779 6373566.182 5429313.382 2393122.85 1952146.41 2297696.038 2231130.643 2371046.504 2224643.669 1579630.763 1631836.407 1654163.756 1322262.59 2001483.968 1698525.976 1494122.017 1982303.875 1649456.259 1596447.368 1505352.509 1372569.249 3651964.334 3659049.846 4396673.925 3739736.706 2453968.092 2625475.314 2589236.282 2583980.372 2239579.885 2367010.749 2322696.24 2352053.203 2991982.269 2382709.85 1909816.435 2725318.039 3061975.996 1794258.082 1888520.118 1606555.437 1895704.599 L-Tryptophan 355363.579 412060.1333 486463.5924 448623.9995 403904.2496 270536.8584 305923.002 358284.824 241838.9509 280050.1669 323397.2952 322571.9346 300896.0947 292594.0958 350973.7807 560088.8343 657895.1862 554772.0744 747256.8238 424925.7146 441664.4918 447337.1503 403779.1265 398762.1245 457787.1041 345734.6458 271685.5164 342876.9558 281950.1776 441693.8128 377314.4787 554205.7836 325754.5145 432044.568 370500.5794 5736740.296 5736280.416 5908059.605 5121832.753 2396037.546 2117883.609 1901555.908 2497441.237 4656024.166 4911246.14 4041229.087 3938158.522 212339.8281 224500.4222 283893.6253 262945.4523 2627074.201 2969469.421 3655000.399 3411479.268 339560.5704 423109.3383 383779.013 406443.8313 511146.7243 375513.1494 169912.4089 256126.0877 312728.1463 431600.0021 485199.6529 378281.8639 431856.5323 N5-(L-1-Carboxyethyl)-L-ornithine 106476.4258 97702.75279 104089.4071 115320.0202 93938.13533 80514.26286 63695.07599 73137.47299 67714.43346 76450.0492 70654.26403 91800.60031 95177.38172 89392.17093 116494.1129 69262.12433 95325.1698 85564.2877 89712.67796 66922.17861 66485.25272 69643.07331 73719.41288 87665.86536 83341.8835 78529.30788 83848.61097 89780.80976 84203.14436 74397.58617 63763.10257 104481.6238 76872.00076 86230.5523 82630.14973 58465.95487 53083.97458 82088.55766 53765.50922 59261.07608 62767.93057 65481.17122 59950.41559 55563.41605 66108.70619 57569.37163 62936.9529 109235.8415 108612.5937 112673.9704 110265.151 61485.08548 63115.70684 67539.81402 55845.13727 56839.24083 73126.91522 60052.0459 60832.87829 74969.04201 67731.21792 67034.52084 78921.98752 80416.93342 98302.81796 107340.0671 90465.13804 112198.8996 N6-Acetyl-N6-hydroxy-L-lysine 996556.7596 902100.2 1261610.463 1235398.667 687731.6416 482261.6821 481142.1175 572852.7224 1280530.722 1451633.052 1471151.382 1526394.494 1198490.555 1364065.381 1470427.842 961234.376 1510642.713 1140811.938 1577295.96 592472.529 695682.3285 540112.1383 632529.019 836487.7889 940423.7653 648095.6278 827532.6269 1375811.357 1061286.106 720864.9345 499163.2802 1071389.792 725762.4151 830947.3783 888112.723 455138.0116 358231.7271 525264.9759 293970.3589 587202.2183 513745.117 445846.4201 681351.1106 561253.6401 738712.4396 437401.6326 500048.2519 999313.3613 983646.6988 1118921.053 1098732.189 545642.1475 524782.8058 798864.3723 643354.0752 413163.3467 416977.7151 349466.8016 296218.1499 398457.6446 403183.6032 744837.4237 1142777.542 1121504.048 944293.4628 1191345.005 762199.5358 1047938.986 Indolelactate 54107.96661 60631.78922 58588.97507 75893.76671 38808.15103 33691.89448 32085.10787 38649.90891 37441.4573 39025.31827 33954.6886 49152.16639 51579.97885 65656.94226 55620.29853 77969.57331 82488.94975 67748.5336 85092.26363 64563.13319 76632.47067 66604.1781 72421.0485 49340.29596 51706.47377 49314.48239 41158.49214 45908.00296 34944.18608 56182.4023 56902.90475 57122.80286 53957.96237 56934.69682 53304.6531 284999.3421 320295.5231 296616.2599 301064.054 270377.1082 290140.7183 261084.947 321187.6308 248921.4228 246413.143 302955.183 257219.223 30261.44732 27209.43354 26997.58623 27281.23436 261179.0133 257839.0321 253623.951 233530.1627 36618.30799 46285.08068 36008.2205 41119.25514 46787.8137 53091.93091 37820.01522 32440.14409 36189.85605 62050.32048 64604.50848 61070.17848 66182.19246 alpha-Irone 639778.7121 612414.6426 687486.4842 632771.0211 301985.4718 285010.6615 279927.2114 329323.7055 256170.548 257256.5298 278834.3597 237070.0284 238792.6113 237888.4738 260980.7473 666763.3898 618013.1401 594129.0614 627076.0815 247173.224 234121.225 319057.1963 246413.143 245344.4122 246142.333 237902.9145 251117.5168 248957.9583 237716.8887 297905.4074 268369.9964 237949.4253 294411.5986 241139.8682 273227.7049 473520.411 560289.1658 608118.8418 491845.4234 638014.0645 586536.7399 532136.6774 597806.346 608090.2251 606005.0081 618802.7032 558996.3398 705519.6152 749021.1265 730639.5014 654681.2674 606959.3469 628686.7504 649879.1642 624288.0789 286243.9496 265415.3588 261555.36 268529.7602 313470.5842 284006.1185 307860.2559 246413.143 313881.8669 678856.8854 643555.1057 641083.821 762666.9383 Cys-Ser 569340.3085 536213.3828 598905.089 600912.5238 372726.38 283124.9905 290369.1816 336766.5403 260775.7923 297908.2286 298257.1074 198442.719 203811.3042 214881.2263 242877.1926 275547.9793 339939.8545 304475.7102 330706.2687 181867.9391 174914.6676 159898.8949 208125.3524 203201.6931 228924.8433 208639.3003 191033.4862 237927.0673 219270.9779 241412.9009 183322.9024 248783.4487 218683.0511 235642.4136 217349.372 218371.4314 216727.5985 235869.2454 189841.5074 266296.9848 251417.3394 245847.546 296540.8836 246611.2778 275247.6681 250005.9237 258684.5572 561283.0803 567846.2554 598742.261 604673.8646 265881.7084 260694.7867 314488.9409 266338.2535 333032.1378 342818.3323 313654.855 346641.5355 385080.2365 338441.3527 160611.9912 209716.1319 234774.484 539169.3632 579189.195 520129.7092 598661.688 FA (14:2) tetradecadienal 1227230.447 661661.6027 1268080.42 991639.8849 1846200.972 739580.5937 823946.7344 2156402.7 818613.4582 576781.5686 919037.3947 975083.457 636877.956 474207.1087 1167281.831 476871.3435 494342.9144 1865495.716 748467.1641 751725.861 1143241.37 1514354.217 665225.4041 644572.7205 1387662.296 1657755.536 897949.1322 1136959.872 696749.923 1160295.753 964705.0221 956608.4214 1685530.799 1210681.34 794109.548 863906.8909 827277.2353 446148.1388 744303.2819 242339.3801 129441.8038 395768.3889 543286.3076 669113.4363 453047.6934 932955.6881 448423.5054 1755429.648 670117.7486 1489344.93 1343122.501 753053.4208 269424.5412 1295984.363 679745.2475 2108686.85 2292319.371 1040763.889 1075954.426 2016925.126 514067.4479 1069797.986 1127467.185 1402019.782 1378300.69 860983.3757 790835.6635 1914869.279 2,6-Dihydroxypseudooxynicotine 0 0 17132.90844 32148.75355 19532.31791 59467.29811 61161.84318 94952.96685 39789.78446 24794.57701 84238.20641 101884.9639 42408.80951 71089.45268 57272.72945 9730.2458 21260.17225 29947.54464 51823.17511 148114.6054 79000.09985 143165.9956 117732.0343 184014.4475 85861.70365 95888.22253 82438.57519 75184.14151 84468.15196 103545.0223 55519.06409 94873.21033 83559.38833 81991.545 52147.2002 70388.17518 56270.56574 65834.79511 79344.25002 54859.7176 24750.43307 26477.39199 42207.27523 52830.06186 68707.16968 65823.83768 38579.00561 0 15537.11052 36237.73329 14824.20336 22498.15206 36222.76115 39028.54697 46339.90052 59764.20712 36467.44832 36031.27426 53650.33357 69660.59853 43458.11528 44319.11095 101173.1485 84415.58659 12986.48612 18022.74072 0 9662.586089 FA (13:2) tridecadienoic acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 588668.1975 594312.9698 547454.5103 0 0 0 0 75031.30834 0 0 0 0 0 phosphinomethylisomalate 113660.3116 137966.7121 149471.4101 144260.1516 51877.53475 38828.95703 47254.02752 50225.00997 38818.67113 40834.87821 44340.2256 87763.86582 73754.66211 68973.07388 80284.29021 45899.68216 47492.66947 46097.36667 54290.87403 19178.59654 20240.43207 14928.68198 18920.87623 51971.5455 63407.97554 39601.7965 57074.80678 68067.45355 55567.31876 83646.31868 52251.05113 94690.9338 72220.82243 91342.88993 96283.45425 141814.1156 109071.5182 143183.5558 108261.7947 245877.3831 196213.6125 194113.0363 216131.0317 147400.2894 129724.1417 117461.1361 98546.4769 57512.81363 66008.1792 85785.0513 59866.17651 135968.1213 127759.3368 170070.5449 165904.3793 82679.88088 103165.8907 79374.89958 56085.39263 68324.96439 53395.17505 53564.72698 69839.61766 77425.44565 199575.5764 213636.5777 187968.15 210607.249 phosphinomethylmalate 259458.4148 246618.1545 267532.3268 262408.7321 202519.5 158361.3998 146867.5955 168946.0024 207428.6342 247191.9484 236586.7305 200030.9435 201536.8168 195157.5916 242498.9529 173790.804 191351.4398 166380.9594 178396.461 127494.3611 130515.5475 118027.3797 146964.5748 145003.9333 144345.6807 144557.452 164276.2755 186846.6655 162727.9187 160844.445 158714.551 202269.8942 151721.4718 149108.7711 155803.3157 114839.688 98153.04026 107524.3212 96657.82553 133003.6558 136638.7438 124581.8898 154475.4201 118497.0168 123201.6097 136323.108 113281.9389 273061.7264 260440.2753 251640.4519 278021.9991 151516.2452 140365.1288 154785.8074 126618.5183 128065.2164 131266.5833 129273.0256 123205.6154 128677.9164 122917.1864 196117.7958 221349.7495 237542.7146 225560.4164 253451.9511 236424.1807 237585.6715 3-Oxododecanoic acid 887423.7322 187400.4756 1015053.876 1175755.467 190793.7259 67099.1493 98941.80049 665677.6246 61794.98024 38177.1146 498539.3597 442120.3976 891836.3029 65357.98953 1478568.234 146845.0982 94921.95082 614350.8931 210353.5105 91018.56903 597185.004 370477.0635 128355.6557 246986.5116 175715.743 195945.0991 1092963.154 1427233.905 289527.8808 1574908.963 79097.72716 738307.3726 1269025.23 192911.7551 78079.53869 731414.2144 755067.6318 68692.20364 398256.3451 56405.96181 24506.4043 41541.16609 98008.7113 205115.4175 59826.97811 460165.8554 85844.34507 1511717.999 189194.0901 1611633.109 1473791.016 1060856.649 53260.62977 621672.0731 1002397.103 376973.6641 633495.6906 631080.11 96558.14353 2062453.296 51992.05202 253789.2574 617548.4522 670737.0807 1182051.694 279324.1288 861064.0083 603830.2274 FA methyl(12:0) dodecanoic acid 51629.76235 41430.02379 45133.14003 41340.41531 74546.92875 58134.13941 55280.62559 65305.55665 60408.24327 55769.64774 48899.42259 34132.42851 41152.26367 53137.8743 34255.97876 51784.73129 65172.01014 54799.03 57368.21539 60895.37655 77955.15492 65130.65712 58815.57674 52937.56112 52621.71076 79314.85028 45679.42118 48071.57501 56917.06731 49086.63243 42840.98446 63256.38999 71895.79604 92059.43114 74590.05627 41301.43574 48116.62342 63883.75752 51473.09534 65124.55976 90097.57634 68827.7843 101900.6923 44187.06786 49456.24484 50767.43701 61094.43515 45371.91023 71883.92515 48032.65002 51671.29505 45336.5948 57753.06125 42371.10586 50301.49934 93757.0664 66939.08338 197775.3754 67695.53533 64431.33103 70322.88639 56388.45925 36564.49109 54905.13199 44367.59651 54439.34848 67490.21966 61181.09854 sn-glycero-3-Phosphoethanolamine 20245955.22 20439095.83 19452621.63 20784917.7 17693475.8 19055116.07 19675028.6 17336488.98 12003051.54 11807700.47 11760970.82 22636412.85 22462556.05 26981139.79 26179089.94 26216931.84 25770090.64 26411565.57 24208530.78 12229831.16 12482328.56 11534975.15 14575518.03 15325692.7 14617804.53 17589409.58 15153194.35 14615878.46 13505664.49 13880036.01 14222793.83 13931562.91 19055211.53 16040787.61 17331328.31 14071216.08 15557755.86 13801407.75 16730796.78 17434639.73 19998108.29 19907355.52 17932623.75 17144072.13 16043581.13 19653151.63 19222688.48 17156011.07 18789333.61 18914610.21 18635775.2 20759919.89 22882966.79 20242565.75 18074027.4 14711612.46 13278070.36 14709732 14373870.39 14253184.52 14740069.02 30355897.27 22357369.3 24861655.72 17461736.06 17009077.71 19666479.74 18369069.3 N-Nonanoylglycine 0 0 0 0 72180.11084 63972.81023 72731.41724 50653.54543 18818.86155 0 27885.5889 0 0 0 0 0 52056.15657 0 0 45145.62467 21381.41836 40714.46408 20319.60216 84286.44678 72798.30345 77903.20892 0 11652.23581 43586.13661 0 20667.25064 20603.52622 11799.01238 19957.16976 35722.98639 0 0 0 8327.186713 16825.43239 13292.93867 11123.58483 16405.57709 10705.68769 0 0 46750.07141 0 14059.4489 0 0 0 0 10030.91766 30568.964 1343164.205 1381458.25 1332673.966 42864.22963 15221.60329 52505.8821 137969.6005 234263.8789 187928.875 0 0 9051.386902 0 2-C-Methyl-D-erythritol 4-phosphate 61754.72247 47975.6011 51754.33592 45683.52464 181665.8997 128604.6185 104452.0408 110128.8941 120909.9386 183859.8963 146718.2122 287695.4225 406051.4139 302185.3133 533978.4819 151886.8918 168935.0971 191439.9304 193481.8974 512907.6278 945535.5882 494908.6854 624313.5283 228618.6754 384611.4152 239221.1065 210236.1303 234467.7521 164473.5996 172342.9648 164513.7768 371353.9979 215993.6359 320203.5807 212430.9939 385853.3263 313601.1816 930078.3184 245154.7079 78512.45019 65153.5847 48668.33634 129238.7341 217030.9453 287701.3737 220263.5916 172082.8414 133562.1348 55112.98698 81717.98914 120202.6074 85404.5905 86209.17695 130517.0014 102680.1513 76715.03042 79525.84328 81077.33411 117527.5122 123621.0755 111993.0521 43797.45429 59063.17475 60837.93102 33867.22953 37928.99985 24775.83494 30746.10873 N-Acetyl-L-citrulline 67824.3293 78028.8895 77156.19111 78706.24876 37097.35975 31826.77937 35021.28257 39018.57754 34052.9816 30358.73427 36797.82026 43186.56887 41845.1891 40674.49977 44844.99741 34372.50645 40057.47669 38107.02261 42084.10979 20406.1838 20720.68885 22624.78737 26555.66011 27744.0737 22060.77947 25216.36613 22235.6761 22104.43255 20528.49672 31752.21357 29070.21556 36188.87855 27974.56793 26001.49448 28224.04559 25499.89819 21221.87524 24369.56092 18378.0367 21491.50716 25784.84338 21817.97434 19433.38646 25836.02078 26087.515 21628.91973 23024.52898 66089.45913 59797.17404 62582.14002 58910.67594 24813.7695 31313.45874 28676.61619 26754.00021 32572.67259 33869.25895 24626.24047 29615.44012 36783.88991 29653.71805 34156.09577 37855.41523 40494.01069 73734.47852 79561.39659 61998.74317 62767.82735 O-Propanoylcarnitine 11762.97477 14914.49613 14943.99369 12086.31072 33433.65634 35325.16676 41110.4177 42487.78823 34120.78501 37788.62082 34612.20543 67768.98042 54107.98708 50160.9779 92550.54275 34821.28749 36722.9923 39214.52282 42970.08286 86465.99641 75272.22942 69989.74137 82019.61925 66136.78935 73646.40892 63551.54154 45767.80958 57424.19794 51640.7196 54066.59582 47202.50451 61105.41735 56292.48366 65990.81244 58515.84502 97135.94245 92919.22045 94836.04319 88680.96684 34404.29672 34134.23779 28113.01972 35627.74943 93168.74411 57180.14978 57995.93391 56052.64132 18380.56965 24457.10974 25443.24574 27665.04241 31987.84939 34038.6523 37498.00361 36551.9788 28533.47738 44547.97835 28067.51601 28562.29899 29923.86019 37194.44618 26657.00806 24828.83214 29104.56108 12304.28251 10761.33826 13245.28484 9835.91997 cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene 3499566.264 3653858.173 3482258.115 4818276.676 4153014.083 3764617.024 3626120.067 3907861.604 2573377.717 3495910.798 3862783.777 3260426.109 2385311.462 3000757.387 3068131.648 2558741.516 2646228.698 2664930.303 2984115.929 2581696.428 2444516.621 2100529.356 2844825.414 4272106.646 4038587.139 3846051.639 4353058.642 3809214.605 4129046.016 4300492.782 3338081.403 4087311.224 3894642.169 4097024.314 3900522.602 2473737.064 2604339.31 2017741.233 2676851.723 3872035.328 3444763.349 3312651.644 2687171.858 3226527.476 2754897.679 2991724.108 3207432.979 3334107.18 4626171.677 4479141.076 3831891.622 3355368.159 4134969.288 3228744.086 3626290.073 4168414.443 3729874.122 4186007.549 3228564.822 3879947.318 3642367.615 2329993.647 3907103.233 4565562.506 4347637.075 3252109.018 3811556.547 4198788.544 5-Hydroxyindolepyruvate 10300.9501 11920.19943 10731.87589 11845.4 0 16772.47249 18168.87123 10539.9347 17780.8276 16745.83189 16972.8176 33437.60772 22917.13352 31766.65929 19038.83891 21649.93563 12734.80139 22381.10897 12604.89455 25000.48063 27223.73167 26274.03296 43057.01401 27399.04674 22374.43891 29726.79491 15303.92269 12004.27393 15103.51553 20616.55476 19600.61899 0 26556.43984 21367.84231 30362.648 86134.25108 84206.49383 66321.16973 85065.15163 43112.83807 53724.81405 41401.09141 32646.93231 59699.58722 45950.12467 71000.86908 68098.52183 11379.14795 15972.51507 14883.35121 11216.57148 50793.04782 56317.11815 34880.16334 41312.20361 6724.129407 0 5658.92256 6345.115542 5500.505472 8443.190664 0 13507.3361 13580.0788 12001.06613 5346.437642 6995.715001 9383.2426 Pantothenate 375933.6356 503463.4248 487096.0477 545138.0756 566143.0855 688587.1628 64820.98375 584438.6543 975004.1806 848429.1494 979524.5262 1201624.386 997281.2444 1124219.115 1016731.067 534512.5453 564105.3317 504975.7849 494818.8344 1248988.026 1085453.29 1136413.351 1450081.267 1111050.132 1008918.534 1147803.68 694969.5851 791087.2877 905675.8678 927888.7857 897607.746 645165.3098 875012.6876 765864.3487 862017.3752 1569996.559 1541637.475 1164098.057 1692112.932 608069.1107 578203.9698 616036.9323 571517.2926 1002515.246 622585.6266 941870.3772 1081123.675 432689.1849 550969.6472 628585.6945 533738.1714 627308.2325 822474.3239 517975.2118 560974.192 511655.8238 505114.9518 496116.8152 500862.1572 540204.0801 608117.0428 982276.5703 1003135.84 1063438.353 531967.2741 420992.4766 533988.2548 461100.0046 Met-Ala 368552.0782 282899.5173 237177.5109 265911.0639 437669.7601 519352.5271 439762.0129 360002.7125 628959.5748 531951.9914 363468.6896 413240.5236 454453.0014 646834.6519 520044.4059 567719.9679 377425.5994 578509.4689 327239.3321 442377.5143 679093.9339 511943.3445 737926.1204 419029.7626 378866.8463 739575.2455 603727.8491 335696.3233 383198.9265 598926.8903 603270.974 424394.2956 777029.7959 410326.966 733721.9285 576879.0613 919167.9235 523894.835 1025181.25 246412.567 588299.4993 679288.4901 427336.9786 371489.9813 459617.1089 806632.6157 807903.4264 422237.5001 414901.9986 317274.4071 334534.5151 518952.0116 595204.5653 377589.9123 247416.0166 429619.7971 373278.0094 390711.2748 511031.0322 566894.1312 482538.6026 628153.5312 287263.4905 286061.8676 266971.284 148323.3736 333526.1644 220164.6041 2-trans,6-trans-Farnesal 103922.1059 111704.6308 111671.3458 120227.095 70802.49585 83370.34859 74153.0401 76235.41614 72534.62301 68363.90873 81779.302 55759.0827 55427.64031 65817.92286 64896.04166 87461.86658 81953.12225 84724.30367 60079.22813 68510.85112 58427.94964 66707.86671 74817.76014 85112.12175 65074.05631 85271.56196 68094.75334 71299.78933 73368.04233 76956.73635 80182.86423 62462.04728 86848.323 74961.20876 120057.4872 69876.0641 80723.01506 83420.00609 81693.36832 87459.00768 93827.6301 88052.89817 74646.34911 74438.57624 85767.00832 89984.25477 99920.83159 129615.8317 134705.0226 136559.3876 124087.9696 77294.34156 77105.83689 71012.7786 68067.15717 71396.00119 2418307.338 63108.89061 75364.44078 63455.66805 74170.09367 89476.31902 68948.06475 75457.51206 126968.2828 103769.164 120020.7499 122416.8594 N-Acetyl-D-glucosamine 75847.99144 80466.67245 78376.30018 68950.24415 86948.5588 59982.45871 60720.29463 82613.7085 62706.47476 67922.68908 74505.36241 115124.7803 105764.32 108270.7696 115596.512 102611.6584 110090.1079 102738.8969 123410.7017 72680.59384 63809.7036 68405.28036 72821.20114 77647.1612 87740.51666 58319.08641 69052.33362 68818.20213 63848.85032 76476.31527 67984.48718 97036.49375 85510.57822 81410.68299 80805.63025 92819.80898 91326.45779 118576.5256 87136.31527 96695.47252 82167.24518 67742.89565 88910.72736 115308.7177 100719.0189 89840.75057 80690.31993 64972.15683 69030.03549 62615.59885 62694.93452 81673.62102 75345.59254 121460.1578 113048.1353 73483.97928 77443.69156 73165.84287 69721.71254 74141.98512 71124.47239 53075.0479 75987.64373 80452.75318 92981.31655 95827.32509 79374.41846 76725.16284 CAPS 4303000.201 4585917.995 5143624.168 4462488.164 7203583.749 5940206.565 5877903.344 6281106.21 4271345.094 4674412.493 5307926.285 3824259.946 3701399.289 3578063.488 3927335.622 4075002.584 5143718.681 4179690.321 5062282.425 3599779.804 3363956.741 3203442.544 3239425.207 4593228.72 4888073.643 4013551.117 3723128.812 5200784.154 4345733.072 5113182.236 4030155.905 5065492.815 4193387.75 4716207.294 4679878.929 2699469.761 2467519.917 2881438.367 2287517.795 4097788.567 3391252.785 3017190.987 3347834.935 3569809.446 3279118.709 3290703.209 2769269.49 4718347.502 5477375.143 6700953.737 5940751.2 3219754.706 3004366.751 3882547.444 3644095.298 6488540.406 7291948.024 6010598.582 5659794.488 6835928.097 6225275.839 3419989.293 4801870.716 5335720.686 5047084.063 5379714.095 4071051.149 4520665.153 L-Cystathionine 6353795.454 6828844.797 6546360.165 6896885.056 6163965.114 4182388.945 4299810.855 6656061.82 3784898.295 4650353.435 4699441.708 5304979.837 5049158.619 4289914.919 5313364.083 3431358.716 5063361.291 3539950.715 4749250.949 4133048.869 3844924.065 3266936.43 3743633.479 5451903.663 6407910.331 4766627.631 5519166.692 8096050.325 5039409.38 5747796.464 3454905.371 7362794.907 4872693.663 6256333.923 5804901.955 4443536.838 3222887.26 4649962.97 2808560.185 5343901.024 5125286.198 4401594.609 5210719.402 5519295.202 5308847.846 4274902.131 3984438.262 6439435.168 7159078.02 8327499.696 7759237.699 5140107.886 5396203.752 8060662.409 5794975.8 4912369.015 5149979.926 4916230.608 3675294.557 5227643.698 4143383.657 3190784.797 4628638.8 5534195.078 6573563.563 7787288.591 5816611.811 6792247.177 7E,9E,11-Dodecatrienyl acetate 106061.8804 102882.8013 49292.32367 44535.24638 185277.4663 95862.71738 62403.14031 131992.2806 87037.96501 145750.7601 63264.64932 180747.4568 49359.97526 65779.36237 36572.36834 39981.59854 56677.55622 37364.51764 64751.44009 88891.12219 107180.9569 82244.05436 47920.42257 72181.56879 87465.61439 101176.861 53014.65152 30206.98563 80025.31803 33621.5002 90698.68146 217717.6875 40929.33659 104650.2499 63960.46376 37147.92915 35269.02816 74749.36041 46270.20351 44533.89082 34066.44858 34894.5226 84126.37481 66331.53335 71925.76809 79972.98834 77390.69866 51710.62335 66487.90335 52745.08649 65952.60259 27504.65907 34012.03356 73700.84666 44047.72713 290537.9899 121900.1565 1027249.494 136356.4581 35032.80623 78757.51439 83441.84749 63829.21968 99814.89863 16025.93275 77818.75059 105583.4293 79512.75521 N-acetyl -D- glucosaminitol 720141.1264 725013.3552 831032.664 810059.0504 563452.1627 556204.2592 560833.0329 587704.8657 337789.3323 399883.2596 429367.2839 648633.927 513113.0452 548548.9455 578610.3309 396181.3456 459020.3685 357657.0244 429232.2517 367244.8496 332323.2694 314111.6238 371576.4506 520148.401 550483.4752 465084.0387 510944.2318 637687.2398 595357.7897 590228.2526 501729.4892 603857.143 521767.5139 582990.2558 623564.2224 332166.7453 283683.8788 297700.8498 340432.8223 410841.1408 377502.11 320492.7469 390855.256 438708.4302 384102.5581 397772.3051 338833.5987 681396.3399 746815.1373 853935.0616 734547.967 362969.8491 368522.4585 411057.1159 415403.2791 557393.8203 628260.2674 571522.3641 551297.6691 625360.7983 548512.0278 411307.6327 539031.2993 600621.096 778607.8971 794693.8254 760858.9611 845671.6536 Carnosine 54282.21652 48522.26064 49463.18979 45787.71224 105698.5046 109422.849 141309.7179 101003.4824 84666.61973 84194.4573 109133.8433 151484.53 118769.6792 159909.0793 131729.1634 96569.37456 111345.7043 95543.97251 96931.84522 167447.819 164483.8967 167224.9498 230385.1201 166468.7927 158425.9256 187806.8883 114191.9654 108024.9994 110438.0959 105295.5232 131190.2153 113089.6424 142632.3727 128444.0067 134056.5788 204963.7975 221985.9891 174777.1193 230931.6809 74772.04909 73413.08837 86382.05412 70773.07544 126338.8506 121741.8903 134104.0448 156929.3861 41046.88983 59476.17461 46974.73429 47737.13181 84829.23444 108067.7483 84509.82374 84951.7011 88288.78812 93520.72196 90141.07874 97346.8194 102718.2407 87118.63562 98065.57748 64352.17116 81339.1127 46016.81055 32894.64212 41628.46997 41101.05805 Deoxycytidine 272119.895 303887.6717 271609.9993 323687.8291 204490.2732 247106.6886 288595.7259 260846.6848 181716.7411 224139.9093 234335.3543 289291.6456 248948.1215 246413.143 244869.5178 141675.4804 139792.4556 173277.8076 142646.0088 270650.9858 213509.93 230966.5617 279242.9853 286283.218 266986.8908 273284.7734 258611.5899 232819.7716 291580.1866 268382.0444 238015.3393 271188.1809 242198.7717 265893.3447 245237.2124 198737.9349 253613.7848 222911.1892 215039.1751 163083.6656 214275.789 173714.643 226082.9786 185114.312 222956.6153 261299.3275 192270.9368 246413.143 340016.0789 331671.2984 294027.1394 211852.7195 252377.7884 234541.0714 199710.8498 193761.9265 235491.7733 222753.308 227244.4255 252312.1437 213340.0178 162679.0654 230604.6198 237866.6993 293570.0781 263101.2513 277423.4632 310006.1435 Tetradecanoic acid 1152272.432 1081809.981 1148603.968 1088775.831 1307875.287 1242748.592 1183103.463 1125098.101 901800.0257 1045804.051 891823.6951 742318.4855 674944.1354 723123.6254 730853.4665 1818702.002 1652532.637 1775619.519 1872543.132 954482.303 917278.917 1000519.232 946378.2559 801533.0067 859676.6373 1024548.145 842847.263 749770.8774 720395.203 856195.0631 988940.9286 981242.1135 1179448.481 1112730.136 1165042.363 1057913.47 1292320.399 1854679.89 1330022.68 1938890.347 1659337.922 1820080.079 2275946.303 1383389.992 1304512.366 1347151.553 1261337.404 1369974.657 1318258.687 1302313.113 1306830.21 1416002.875 1484526.293 1479823.072 1347607.316 1507286.034 1191290.341 2045719.547 1440916.357 1336165.185 1410495.601 1063706.538 673927.8016 829037.8699 1766393.49 1845069.78 1854763.39 2092123.105 N-Decanoylglycine 33975.7446 10852.6203 7005.2502 14311.66782 89642.53924 91363.2434 87188.11757 58836.51861 33492.49903 0 67804.60997 28879.18911 0 29015.50959 7010.720296 30448.44371 102246.6172 15057.73962 41174.46326 49558.71358 55836.50997 36954.82217 55771.71666 78298.68355 70795.59443 74550.39668 19371.11633 14632.86371 53856.36521 24019.03344 40653.66655 36045.07396 27074.4448 45189.35348 41775.32996 0 0 0 0 34485.68858 26537.97705 20177.39051 34870.71982 29318.14723 16337.57836 0 32268.40898 18193.02762 21038.75865 11619.56504 19645.13892 0 33696.61641 8626.65062 42282.47411 1262130.54 1303559.773 1323817.282 68505.92877 22097.02054 98891.77061 142766.4789 198734.6855 203447.4093 8672.867277 20115.08089 0 19821.12629 [SP (14:0)] 1-deoxy-tetradecasphinganine 0 0 0 0 0 29494.09975 23143.14992 0 35686.95053 32820.59596 31757.16907 0 0 11054.28695 0 15529.71996 0 0 0 0 0 0 14411.0151 14044.40989 0 18864.40664 16529.28675 0 14785.32479 0 17737.34448 0 40402.5431 0 19375.17937 0 0 0 22597.40387 228051.112 422919.9018 613328.0389 778989.6319 18379.30714 0 19788.20984 19374.72986 0 24311.92827 0 0 12357.81567 0 0 37203.12975 27642.81535 19647.53638 25306.13597 95115.58102 94074.8801 86142.85999 39621.23216 0 0 25254.66915 0 19364.82139 0 D-Ribose 5-phosphate 5642819.344 5682859.567 6639865.309 5652914.562 2055020.527 1559363.103 1603368.964 1848359.042 1585116.939 1648003.215 1774203.546 3439990.933 3154776.147 3008765.687 3577824.721 2789501.345 3548541.481 2845196.866 3418812.17 962566.7138 976360.4386 847275.5496 1045621.646 1966277.451 2023680.941 1746291.721 1795061.452 2272692.26 2012498.1 2381752.787 1827414.502 3051304.263 2306612.537 2766158.767 2496948.445 3566064.129 3054067.358 3966142.91 2886949.887 5649251.457 5564335.576 4680995.007 5882289.569 4079536.773 4105172.537 3545141.24 3310668.13 2588147.42 2542209.14 2783709.921 2564031.084 3938060.97 3942909.754 4620789.271 4419385.981 2917214.437 3197182.487 2845678.078 2755321.201 3304690.717 2736074.71 1955479.676 2783368.559 2984165.254 6676062.395 6830954.904 5722132.769 7202446.404 O-Butanoylcarnitine 13165.71286 15511.67921 11731.9304 14769.07952 24840.16344 31322.58496 29858.79385 28438.7899 32457.73481 30951.87768 30325.17898 43497.39477 42807.59117 49433.76017 47532.49781 28436.09355 26059.54049 26552.93106 31418.37632 67612.35097 53185.0841 54009.343 76327.97511 52018.42139 56344.64479 57129.46968 30423.35398 28643.74657 32765.59394 38364.90009 38280.5312 33694.88122 37338.70516 40613.93594 43500.9706 69920.86275 59812.45155 66533.87306 62377.18375 29497.77113 23089.6216 23524.94195 22339.98479 45241.21014 40775.51556 40245.19169 40832.23777 16277.44223 22468.70423 20864.68753 16166.48088 25631.33278 27271.64688 25417.64928 28709.81848 24542.34743 19580.39418 24342.80211 20503.83753 23096.72474 23297.18831 30693.81606 20610.74551 31700.36029 13821.67177 15378.65285 16574.04269 12143.01229 (3R)-hydroxy-N-acetyl-(L)-arginine 297963.3186 330246.9915 511848.7243 354657.9054 125981.627 104453.9272 106730.9546 127544.071 64291.79877 77859.24072 97047.00116 56363.22896 49952.49098 50777.35653 56061.43818 272450.636 337676.4304 267117.7068 332876.4152 40873.66102 42828.44896 40657.88263 35163.19812 68421.70597 77610.49231 54665.67953 81379.05111 97493.09254 78410.82744 66734.18622 63289.63079 94735.89103 74386.83475 89411.50164 68982.92022 313309.5465 245924.3639 271279.9325 208861.7032 512831.3831 585051.8661 464256.4521 606733.4303 611437.3432 546181.6763 482544.2956 440883.9088 367963.8757 363040.3222 464791.4246 369232.912 545577.2727 605007.6471 753467.8429 643448.5681 185747.17 169369.3017 205108.0523 158453.857 145544.9773 133328.9285 45073.56386 64765.25849 71326.16511 282341.2984 428225.6039 241895.6228 356006.7417 Bakkenolide A 123796.1434 141133.0011 136132.6008 160043.7595 88832.1492 114634.182 128577.9285 98004.82918 109840.5693 88758.22036 86848.74236 56652.03278 65220.24536 75401.88729 67047.68291 291263.4583 303460.9003 282633.3395 275954.189 82800.58673 70462.00708 88973.09631 87411.66818 82682.81741 77474.3069 98302.59877 80554.71984 64811.06023 70292.34534 81230.67711 95869.1904 68318.14794 108047.9257 67981.42217 86132.58552 143392.3398 170286.9118 201609.6743 177544.6802 277105.9334 249058.4362 250097.953 257052.2737 234430.1198 240689.2267 239236.5702 214655.7529 182441.0505 216747.4454 193385.6861 169594.8722 198093.7808 211728.6285 213807.5173 225637.0609 110402.1419 90562.38498 97651.99935 123843.0672 95286.96256 116888.6363 144857.3283 80492.67666 87270.23073 217228.8525 229017.9883 230719.6195 261063.1934 HEPES 119093854.2 126896756.1 120010125.4 126856305.2 313482234.4 381102321.3 373147094 352358509.8 405035678.7 377383368 395988650.6 480099083.1 484348864.8 587424027.7 534931115.2 353126020.7 335792090.1 349929406.7 315193691.3 700958108.2 704931503.9 617505669.6 893187745.1 614077413.1 553040271.3 670416020.8 428504237.5 384025042 393386469 487580752.1 471877739.1 446820592.9 628671939.3 501810735.5 604285647.2 830951103.7 838922065.9 745031745.6 885469527.6 331027741.1 382918323.5 354350928.3 327665956 543519491.9 501859128.8 665083475.5 639266151.8 181651881.9 219847985.1 207840775 193409126.4 419060708.5 415760945.9 335759922.9 357522731.7 274428155.4 257750777.5 270824037.7 316014952.2 335142446.9 329734753.4 262065300.1 239171857.6 260598078 104978294.1 95633368.66 115735111 101029881.2 Dihydrobiopterin 15024147.76 17823666.51 15609160.1 16296156.13 34136869.08 60122176.56 50544470.01 36924470.04 52696683.45 43642187.03 43267424.77 46382453.79 39379668.57 50244405.99 42143795.07 43659217.11 39982686.08 35183637.89 33450533.98 55403597.54 53770030.72 52522586.84 73577215.03 57733773.88 50999895.8 65311496.22 42649719.19 37614393.1 39791857.12 47334481.77 48251160.36 35659026.31 60766619.43 44862737.55 54073744.33 57117480.67 71565676.95 51236199.55 76866962.56 37250221.45 40109842.19 38620269.72 27887867.08 48287888.74 44749658.12 64165587.76 59158196.33 22454190.96 27736635.33 25842636.04 21053389.28 40457704.35 47484841.88 32666895.02 34235110.29 31120718.66 34478350.76 34093584.45 40431324.76 39549376.88 44073457.13 33631713.52 26690192.8 30453032.11 12888424.23 13320362.06 14290032.04 13593111.28 L-Cystine 492156.3831 314227.3658 411796.1162 238718.6678 1845135.517 2063734.983 3159441.322 2487834.013 1122260.578 1471144.699 1684574.698 3268497.543 1482532.56 1689320.764 1917046.9 623751.7042 1075558.269 786395.3068 971707.3204 6498388.503 4665253.896 5570121.457 5881443.657 5419621.561 4284606.413 3619529.6 774816.8841 2073175.847 2168487.845 2715722.172 2447156.293 2937700.488 2770490.093 3230194.734 3673148.862 6988935.733 6271841.202 5744964.218 6154321.395 1407852.726 787668.1045 676262.0329 695900.5175 2676222.225 1709370.81 1121985.736 1605520.293 444556.0829 457654.4829 606827.5009 581852.7839 1056868.934 599945.395 891288.3518 1374923.009 2202449.862 3270540.478 2684562.005 2059419.872 2507715.718 2024938.46 716765.2479 1162410.757 1487592.677 264688.2498 556252.0865 774453.3267 445468.8737 Slaframine 48991.10703 47225.489 54463.38189 53866.96086 25693.02361 52998.04258 46483.95118 47549.06766 41400.842 43862.50068 38821.29816 65278.26992 38565.62576 60581.58836 42524.89566 46725.00974 28188.55325 43017.17073 44897.56481 67273.45281 32991.53265 33222.37756 64348.23387 54088.98907 35732.54114 48911.55132 85537.75937 121283.8715 79528.04728 53656.80759 45710.93885 44002.20759 55253.38503 48457.67066 59590.78907 56781.38338 59627.15624 15928.08192 56263.37106 65345.50493 66413.85255 65001.76166 74237.49807 57772.3764 95424.8857 67624.73258 64731.57108 34839.04124 52133.3308 56939.86695 61088.59444 71881.43384 69408.11984 56517.83354 74363.42436 54312.30147 57270.44794 52130.29782 43580.56105 23836.68552 55574.90145 50956.19194 49534.61547 54524.36378 47313.70011 56660.71098 51800.65871 49939.80216 [FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid 17247.46684 14638.01626 13822.86815 10174.25114 31135.95168 19112.11587 0 13501.88796 13955.83295 17908.91774 0 21929.86295 9010.958416 7452.17108 9267.770534 17692.30752 17398.81183 16020.09391 17567.27022 25091.14471 28936.01984 39654.28271 33207.43461 15158.85829 27009.22036 20685.47541 10506.96707 0 14994.32019 12302.64282 18142.77354 41044.6604 53762.99694 53704.77272 69468.63521 28946.52814 31390.99105 40738.29863 19232.27009 66251.06093 68672.56556 89647.56029 170092.6154 41143.41603 22626.46302 19902.19822 19046.91124 0 15874.55036 0 14283.31534 25894.18113 29411.72758 40965.80721 35358.48592 63052.74207 43582.80769 109029.4443 14619.118 18222.884 24692.01567 18132.9311 0 22199.13323 19284.68844 29014.27016 23134.98211 40879.26231 Hexadecanal 131872.4817 171838.1413 139368.744 181209.4139 198455.5899 250047.8603 197033.3796 188630.6921 198682.2636 155628.4948 202713.0945 160351.6374 168439.6883 180966.0365 169999.6614 108311.0405 92298.01996 89493.2986 79055.15354 115037.4778 114201.4666 152812.7795 119602.5925 114757.5536 110082.8792 150505.975 120244.9797 128214.5586 125167.1447 120504.1167 132859.4724 109213.1445 141954.1989 123595.8502 143763.4316 117678.9877 133932.2792 115404.1483 125956.4743 112714.9578 121947.6796 122714.8391 114507.4771 102276.4505 113860.6261 128132.8442 120156.7276 169706.0236 171145.8846 140781.9008 142290.9117 122976.8772 111572.5251 106375.8667 90682.77353 188431.3762 146414.4714 170003.1523 153795.8192 154175.0256 143975.3975 228783.3311 175028.4406 204944.1322 133650.6613 150381.2735 151080.1921 140862.5479 D-myo-Inositol 1,2-cyclic phosphate 21070451.13 22376450.89 22041075.31 22443807.84 21251403 17083897.16 16496928.01 18462235.02 13188473.25 14701744.7 13487351.86 15534793.14 15162225.33 15827519.01 16645664.12 14660080.26 14681142.54 13253457.09 14138885.5 14035578.04 14482701.73 12534672.99 15508351.19 17215161.67 17703785.48 18598638 18364467.32 20562534.9 18490976.89 18981245.82 16083720.12 20139409.6 20105498.78 19900870.19 20219883.03 16652326.73 14720030.54 16610543.84 15300594.61 20660432.1 23065999.9 19907355.52 21954278.34 19390020.44 20684286.42 21995911.42 19967753.92 21949602.39 23518621.66 23423325.43 23068067.68 22208286.4 22023512.64 22485005.67 20250826.32 17399310.89 16625483.05 16771843.96 16265475.48 17720175.35 16649972.69 13725947.45 14731599.92 15875515.1 21515353.35 21654127.05 21647276.26 22869491.28 Thymidine 17028.72134 16755.10168 12645.62881 15273.87651 26263.3794 19066.25551 18311.99156 28254.55012 20240.78127 19628.81658 24063.20804 31248.60337 34730.86547 34088.26803 32919.14455 38826.10985 30355.41277 35995.63189 53246.30997 52689.73825 45335.55415 54540.5226 54201.19092 37391.97572 38730.82795 35067.99834 26499.69154 31592.51348 24409.91119 23018.56515 37546.46224 31872.63741 33284.29159 32018.34962 35947.19239 374648.7042 388647.9999 360289.4896 358257.0152 143718.8548 144108.0922 136005.6325 156091.3238 246003.351 237534.0236 233373.712 282604.697 21511.42669 21292.87051 18531.0816 20830.423 170282.6998 150494.4171 161478.7425 143724.0351 18463.87624 23703.59156 19113.38686 16428.52205 27733.38608 19397.39832 8240.419216 21083.97278 17940.15696 10851.19124 8481.625135 8564.982944 15349.3432 FA methyl(14:0) 358546.8776 303886.2489 361922.2514 305054.3761 501466.4299 369426.8277 387431.6577 367664.5048 300202.214 276969.9452 290057.6742 263695.7622 213751.6433 240560.2805 246459.0842 464815.4674 464938.3136 482651.4568 487403.032 382271.6903 372237.0653 441747.0129 307192.78 260462.4273 271797.8996 295609.7845 272540.7373 273759.7024 270557.2092 320105.9578 330484.393 357266.4041 482388.2125 427052.3822 426068.4647 450774.6857 508207.7082 755514.098 499315.6353 906996.3294 861642.4279 988778.9392 1296017.831 488398.165 519800.3026 445218.9259 449900.4114 350333.9193 307825.4647 290630.3744 313872.0364 637321.1522 613860.4948 730328.969 623705.2905 512101.7696 494774.55 712318.1277 399659.3611 386719.5935 488067.9851 269444.4346 258863.728 296120.2295 574638.7095 544927.0037 538824.1838 617655.8797 Cytidine 84496.18061 81755.0514 91929.07355 97750.17038 113019.2328 73871.40275 78094.39303 85352.50789 110191.7893 120902.4963 140854.9569 192129.2589 181852.0717 138966.4717 185882.5095 151815.2466 223235.7529 156376.7894 207623.8651 224973.7207 198708.4688 200933.4035 213546.9168 177710.395 168208.2314 125556.2828 126920.4761 155826.4113 144333.7589 222507.1908 160912.4171 275152.3377 134718.9154 168716.6235 143732.5962 215813.3348 188082.2171 223206.74 200735.8976 153990.9994 113208.1477 112825.7669 154573.6128 242918.7984 238915.7522 163178.4667 165110.5656 95696.73827 89764.08409 94789.62057 100535.0256 162021.0815 129418.3687 188680.8834 185182.3661 68305.54032 85384.80926 85396.43298 72425.99912 92175.21791 68185.5469 107971.9103 129743.4753 149928.3116 87705.97051 105060.8443 63373.67792 85845.54925 N-Undecanoylglycine 116179.1896 73850.86224 38628.78917 49564.85492 623469.5264 756116.143 656352.5406 610431.9896 146638.2665 128410.4881 277658.3975 125882.4396 58430.43875 105581.361 82287.8051 143244.1325 545923.5079 126722.4175 213563.8781 555422.9635 575041.9732 633911.9128 442106.2892 1128063.882 1073837.828 976659.8965 164536.6896 174114.2158 290922.7769 194901.1375 289873.3113 236359.9729 197900.5157 291556.9429 308155.8557 26526.47835 33042.10464 61364.2659 22935.03167 138186.7289 132158.7166 74444.31807 104114.8789 124124.3339 65680.92225 48421.19459 148608.8561 67630.58955 155299.3744 56091.55321 72612.02367 47087.76043 85746.67478 54289.2905 187715.2036 27159899.92 26890881.98 23783024.63 312715.941 155313.3945 407085.0224 2973932.859 3813272.907 4119459.283 83253.41457 76014.31116 69326.98287 89797.20246 L-Fuculose 1-phosphate 12455.5755 12546.20822 10845.7006 11642.99881 10500.63315 0 0 6375.460953 24619.13873 27428.75415 21794.63336 21378.93694 22005.48745 17323.3708 18693.13696 19630.92046 20850.53214 18196.67367 22206.04242 8621.961234 5480.652094 10059.71866 7148.376071 23964.84875 19570.7992 21785.55128 17214.65951 16762.39531 20462.25899 14218.18579 14333.28113 15902.88132 16760.35 16812.35681 14742.83462 66472.90094 58791.19334 71946.11165 52417.17445 79614.93194 84988.19637 72794.0605 87065.7109 47209.38319 44941.54299 56944.42725 48001.61546 9632.570985 12641.2217 12873.90692 5939.040746 94754.64116 94678.96333 96947.72317 93620.31836 7262.89718 7016.824262 7684.431364 7815.805283 14862.08357 9854.308848 0 5516.998134 4381.88876 13466.60672 15550.09381 16920.92525 13579.29323 Pseudouridine 991338.044 978952.169 1043612.56 1041168.856 1182486.841 846389.6526 816523.9165 916913.1823 438148.966 497128.6083 509923.7299 708542.7471 744098.2291 731744.644 883878.5227 915664.7337 1043545.764 955101.208 1064300.381 713475.7303 756622.6968 683796.9314 697525.9181 716878.9581 875997.213 804935.9866 894133.2367 1095457.225 931585.2728 721959.4702 747844.3855 910094.4157 799766.2642 994665.7577 855626.3757 775541.5793 728315.2478 940078.3849 668517.113 888143.8771 851199.0976 789105.0113 959245.5474 938842.7981 1066067.459 926860.6081 832896.5536 1103295.082 1001323.372 1041733.085 1066148.04 953134.3303 948924.5375 1097959.948 951250.409 871917.22 976300.1799 842427.3826 785269.3209 944953.4704 867241.5778 514963.0579 721177.5669 815452.6974 975998.0769 1122424 851074.9576 1045624.598 Glycerophosphoglycerol 2812656.045 2903862.019 3166573.049 2868484.531 2601806.866 2101389.37 1882267.583 2225329.316 2145680.011 2512600.81 2356481.794 3108813.555 3149966.001 3149373.276 3639966.011 1716171.327 1990890.608 1900234.434 2011250.082 1852715.591 1964872.544 1713225.647 1984168.039 2026105.911 2182326.958 2064717.525 2295544.868 2779777.446 2324669.978 2358920.721 1873291.652 2781796.013 2293587.1 2501054.943 2295984.761 2430364.206 2218550.347 2697090.338 2168973.392 3279179.236 3282828.099 2968861.9 3606396.009 3127234.101 3128201.316 3082114.614 2704615.878 2998231.168 2824143.25 3014404.109 2992670.031 3309403.524 3391608.591 3927958.367 3314079.06 1567505.155 1669649.702 1544774.64 1669607.102 1848827.915 1607957.85 2842077.16 3510377.998 3673930.425 2754267.172 2991708.235 2831122.224 2835876.159 5-6-Dihydrouridine 87487.56201 112678.4393 110922.3366 104529.1152 69651.5635 84649.17043 95200.16607 63390.67584 53028.27686 53206.28424 57208.16661 62087.59795 59768.23313 86136.03565 61545.37469 123446.9212 94086.85104 88269.95355 76093.19173 66346.99436 49677.5454 52214.42277 88863.76327 83136.38837 53740.62629 91965.11739 73496.46572 63964.19904 80795.55588 86760.4664 81729.08421 31643.45237 82220.45964 66343.48057 82367.52596 107745.1008 96727.83201 64335.11339 98781.01394 113897.2683 100509.4732 107905.3737 72779.88517 101963.246 72028.86328 122868.1525 109940.5648 71066.2529 100113.8654 112015.5245 91766.79891 111857.8882 103029.1395 71196.61988 100668.1171 67528.40094 56630.39038 83623.48926 76577.73754 76036.33046 86157.98474 85249.04024 66016.70656 68839.4301 110225.9746 83795.49991 99422.75421 97072.91811 N2-(D-1-Carboxyethyl)-L-arginine 336070.6609 343254.7264 323057.0851 321586.2836 145127.7453 100601.3492 114468.4365 160001.7567 290560.959 340889.3978 324814.5799 403854.8732 401753.783 332749.919 402589.1478 273809.5693 402113.0534 258367.803 412408.1849 142207.0429 138738.519 111548.5326 139033.2702 162006.7593 243914.5898 151884.9685 244528.9663 391419.4943 228434.4778 214614.5515 112033.1007 208485.23 154980.1286 185608.0902 200089.7882 151641.3171 86369.95686 135895.2885 82725.02885 174517.3835 155102.0895 148796.1084 163145.6706 210378.0488 204291.4086 155537.2362 133390.5102 276304.181 308522.3158 334530.9991 363600.7526 171855.3391 168925.21 286352.9866 195697.7891 85849.98912 95377.28073 108707.9375 66773.83111 99056.38213 73369.62991 258011.9381 335838.3687 381930.3528 276673.8022 339726.1217 240297.8981 262964.7077 N-Succinyl-L-glutamate 19673.25799 16552.91484 28287.4571 15598.71614 114316.3812 50997.01155 44235.84925 82263.21451 44097.91462 42347.30121 47823.49437 61706.33668 92000.39972 69643.5069 65900.54483 0 9489.935779 5638.382915 9882.410793 24679.87719 28095.45679 33277.31589 39647.54527 46702.16182 75437.20418 53190.95014 74113.5068 113302.5003 94053.88087 57861.10721 33570.6794 66607.36961 44325.1462 53271.27071 41370.1876 33371.7864 24451.83692 18573.49686 19879.32453 35274.54362 39818.0019 23589.28055 61785.48092 59999.02945 40465.77179 28613.06647 24146.76634 11336.94122 16031.68734 23676.29847 21739.38531 66336.61917 36305.76897 63839.56088 58301.18899 61114.78662 43553.96677 61446.8928 50278.6421 48734.9865 57271.48725 12199.13972 32150.19019 34634.32936 16042.62387 23936.65594 11067.87465 11815.78902 Norepinephrinesulfate 252761.8761 261420.1526 284872.8585 255890.7881 473190.0738 335032.5742 285791.5572 406928.9435 256625.4905 305639.0709 350972.6919 265751.5101 250745.2137 275435.4618 270570.8015 70234.55013 100821.813 74495.97498 111778.5695 217020.3546 237796.0355 188006.277 248003.5507 366352.6801 451001.7527 304297.5291 489557.5301 747994 522412.982 289316.4678 190155.8665 475776.2727 276749.4946 420552.0031 293884.4637 202174.8971 135005.7175 222363.2358 126250.4223 211735.9951 202558.6445 200645.0128 292262.0656 270974.2022 310544.9554 268870.1226 253918.3269 270437.682 209275.8094 234216.2607 277514.1427 266003.2204 245197.9218 335012.5692 294324.446 338488.0993 310410.426 333982.5748 257548.3618 341932.4923 271570.058 81338.73933 152485.3285 145009.2264 208814.3323 297105.2324 167257.4191 238015.4791 gamma-L-Glutamyl-L-cysteine 51017.96778 58625.1775 80521.96532 67744.81956 46191.23311 44057.41946 38923.61141 46488.31586 155758.8287 169800.4666 242291.4251 71667.9881 62782.13672 49545.73206 66316.91106 74322.72786 86419.3889 79742.33124 92484.9502 46515.3664 40765.37972 37727.8938 32913.49197 47755.20044 59829.65247 42137.41531 58243.29149 82153.11459 77974.1948 52333.07887 46329.57223 108851.1178 53931.86929 60227.93029 59142.50794 60636.31896 36078.02212 52975.8649 31432.12128 109429.0779 112420.9973 72246.8778 117129.1344 111016.7221 100971.9891 91113.66022 76966.9776 57250.6641 59683.3406 80517.13133 58663.9526 93511.62588 104238.7709 122476.841 110399.6348 43525.54376 53575.05687 48917.28035 33840.76951 41849.39825 32419.66225 42289.35464 62272.09092 58408.40075 68101.13602 72204.28739 52159.76098 60417.55516 FA (16:2) 1241818.414 538509.2696 1340851.462 1149273.847 1566048.702 631662.9809 534536.4985 2164852.268 565758.4609 381257.4442 964632.1294 994926.8435 1060344.256 432819.1424 1284364.217 481355.1746 351373.9656 1754491.458 617717.217 645494.7979 988905.5788 1117070.159 387202.6813 558672.9346 1139149.975 1418179.758 898009.5944 1182779.128 530112.967 1658967.558 1029418.152 1031424.523 1373114.323 1065161.91 601754.4067 943032.5029 675186.1847 344638.7849 597495.9165 179195.2744 65569.22364 255495.8325 549274.988 662982.8864 431509.2271 795268.7665 357456.1137 1582956.968 761698.2548 1541579.221 1220963.106 708231.1847 166037.1083 1288143.247 791836.9102 2186367.346 2185609.852 891177.3419 874098.8099 1937288.507 301147.4287 820855.8108 1210117.852 1777347.037 1628386.4 935168.1436 827881.9526 2087430.497 aeruginosin A 33983.98597 91483.6463 96130.16329 106404.5835 96586.64255 77648.66113 72623.03764 104449.4262 68147.18725 32678.87597 131385.6642 85933.7597 44644.28353 57449.95206 45248.97101 48093.2184 95078.34676 66318.82586 99460.15169 64720.68716 59175.60162 56791.78928 62701.66037 65496.32581 111538.3532 49831.33462 73858.35329 97086.83467 82216.15039 94338.7566 73929.25361 99245.68188 40684.32134 84559.26388 90826.7126 70879.22367 44996.24621 29577.12338 33393.06671 76035.18442 85891.51114 85315.83378 35617.09781 73772.38351 95645.93038 33739.09404 43447.5921 71171.5332 90109.92326 104855.6796 56613.01785 43257.06111 34809.23604 107711.9462 92079.65594 108118.0845 90994.82013 115584.4042 109012.5479 105336.2702 84172.39004 64304.89578 93618.22755 74291.4901 103660.7142 123161.4445 39890.71895 91333.07192 L-Arginine phosphate 2190914.899 1994641.191 2287847.734 2490249.528 6776220.919 5747270.64 5521088.644 6299660.756 4748424.216 5936176.13 5785073.726 2189443.785 1949648.608 2148676.13 2257186.67 3079522.943 4182643.845 3234070.222 3944792.505 3077133.66 3099680.641 2670463.058 3181492.187 2807462.736 2969022.075 2488280.96 4298638.604 5058431.588 4222944.828 2113137.165 1576049.218 2647567.931 2294133.999 2657469.135 2543747.942 1502484.904 1244304.676 1430810.109 1181992.813 1930361.391 1932693.456 1601689.421 1734663.076 1877927.784 2032955.422 1826226.327 1987532.297 4015993.864 4304265.656 4894795.409 4339068.273 2807971.315 3110990.365 3210286.684 3191314.197 3912516.2 4212767.414 3913230.347 3047026.819 4117619.812 2943995.325 2068753.307 3207996.528 3060849.983 1379341.508 1401266.483 1086289.858 1205333.438 3-beta-D-Galactosyl-sn-glycerol 66855.66111 58346.30433 65362.8309 69189.51772 44316.15064 40061.49823 37156.67181 46996.34834 27344.25792 38166.3569 31094.78625 57976.47215 57765.49554 62991.86174 66659.11068 45984.97915 45646.77386 47634.31181 50814.17381 57806.28613 50089.7848 47487.85856 63239.20548 58537.43786 61786.33823 61900.27601 56582.39069 67059.86359 60314.62498 66222.42014 47425.90394 67277.49899 61723.81677 64266.48808 59065.36999 67027.5275 58469.4264 55768.04026 47992.65987 69928.54225 64577.63598 55107.01277 69692.15272 63440.54752 66540.19858 64376.25819 61182.05601 55843.86725 60330.27745 63197.62948 62980.87326 73828.79278 73136.13231 69304.29605 66587.68121 28341.77165 32109.4962 22393.623 34551.44614 37056.11791 29787.22646 51624.04898 69854.01753 72013.65946 64743.32068 54909.91589 52158.41245 57224.64138 FA(16:1) 813090.5015 662749.367 725648.3314 632133.8731 436175.7912 346668.0532 294746.9285 429719.6368 289284.4922 287311.4144 311590.0965 500084.3633 420120.1252 424859.5401 461180.0412 577936.4119 676165.3507 644469.2551 709475.8251 645913.8645 661327.3696 737616.1456 606567.3614 418101.9546 410697.1411 452050.3944 356671.7616 395729.3873 378933.3119 563048.5173 560515.1539 623460.6746 803941.5311 874799.4712 838568.8101 1792857.978 1906953.479 2627778.875 1652978.257 2761006.575 2650642.445 2515790.23 3170033.959 1254009.238 1533051.025 1253207.617 1222424.405 310887.9976 284332.2271 330191.6013 291817.1317 2072177.475 1953241.835 2256366.076 2032593.248 595581.4619 504540.2778 864777.4972 457229.3898 414413.8681 466766.5283 290741.0107 300408.0585 399255.2263 1164039.342 1182844.223 1036650.566 1515711.24 Hexadecanoic acid 14108041.19 12883411.12 13648210.34 11612231.01 18270436.97 14726945.22 13585126.39 16323317.55 12652381.2 12965318.16 14350542.38 9098950.265 8985022.419 9204795.359 10365709.02 23648742.6 26551002.47 24599941.94 24070590.43 19370739.29 20163761.52 21762653.11 18773267.23 13016341.75 10800933.35 12355354.92 12242978.21 13254595.67 12689886.1 10743617.66 11327411.83 11405113.68 12389997.87 11237129.29 11900845.44 16652326.73 16874181.35 23144838.65 16730796.78 22657351.19 20907113.21 20570934.04 23602497.43 15272448.53 16441355.87 16008858.61 14047803.65 19931248.15 17255510.46 20894046.16 19441646.56 16994166.98 18263400.72 18666797.16 19393299.47 17257853.07 16402322.2 17046792.22 20912754.19 21700794.45 23995548.88 8811521.499 9185585.835 11681982.81 24113825.98 21790746.15 19100537.87 27461758.61 sn-glycero-3-Phosphocholine 20154344.56 20729699.09 20001687.56 20980081.24 23655407.87 21190603.21 20353477.86 21839473.13 16257487.45 17248503.63 17911203.27 21674735.18 19795127.52 21138767 21715025.47 20973545.47 22646443.29 22025529.41 21104872.99 13625181.03 14322671.87 13303671.34 16441184.34 16795279.67 17541365.43 16868532.14 17762353.64 19631130.88 17765840.54 18388081.89 15817873.51 18623540.06 18755129.45 18699955.61 19642172.09 13987954.45 13523280.09 14473157.68 13067636.96 17895467.21 18180098.44 17385757.16 18262267.57 17443531.9 16242468.5 18221465.08 16987492.15 19174365.31 21090068.34 21223952.15 21456324.96 19214995.62 19230286.64 19636500.91 18403845.42 19379720.25 18968671.94 19246378.32 18898933.41 21187166.18 19588203.17 19496175.48 21577461.07 22565197.56 20268086.49 18990054.63 19807965.2 21399965.74 2-Hexenoylcarnitine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13945.19432 19218.0495 18809.97194 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 214048.9439 292420.0529 209525.6761 0 0 0 23678.90508 45293.6986 57071.42762 0 0 0 0 D-Glucono-1,5-lactone 6-phosphate 131245.5498 147194.1677 167691.2316 132313.7946 426826.8267 362304.6701 303525.9029 363775.2282 110657.3526 143552.3898 150440.1312 136943.2701 141171.3736 138841.6657 163028.994 172646.8729 251691.6922 199699.3699 253052.7077 140898.3381 136749.4229 98827.99033 132114.6909 402704.3244 463775.9374 276651.6315 417033.0311 524298.0697 408899.4582 142668.6323 107998.6498 195035.903 134837.3892 151101.7934 156323.707 141940.0097 88079.87016 119296.338 88384.86084 275111.0305 335694.3105 275835.9241 348739.1376 243006.7647 225680.9786 205552.504 202814.7304 305641.065 283721.7535 342974.4275 376187.4559 246126.6531 239052.7575 290175.93 252022.9971 293799.5871 324693.6965 288640.6206 237489.0609 374270.3678 248853.2772 73424.83647 117939.4288 123001.2632 180212.3918 181377.5426 127927.8973 160837.1886 (1-Ribosylimidazole)-4-acetate 18126.66791 22050.73686 21388.5463 20404.62895 22468.20321 32188.59302 32183.35051 25647.56196 42996.69375 33056.395 27339.05821 61374.06664 26917.34266 128575.9196 20288.35728 20442.00679 21193.31278 30931.57212 28067.96696 96139.24654 69474.39785 59010.8121 196560.8814 139994.4458 32433.44096 103198.9335 32091.82628 25409.08228 42017.74245 69681.4139 63592.90882 14189.0267 87194.50165 21769.54556 108855.9518 233543.2101 329637.245 78113.778 252408.8056 50611.75827 63855.57627 47983.58033 33875.09247 88050.47354 18050.52172 197394.6768 126135.9011 20083.10106 21963.01692 20614.01053 25515.34907 92694.38508 55231.22217 21467.41333 38247.54489 16372.76508 16107.3489 18549.89329 14520.94877 17241.02012 31089.75588 11575.33026 31206.74495 36291.33625 19008.81794 24268.19207 19088.49641 20161.40075 FA methyl(15:0) tridecanedioic acid 493480.1571 21193.56887 251004.3393 974175.6749 0 13484.04848 15504.58309 67924.63999 0 0 269579.5411 48364.2322 476949.9971 22692.22613 1167470.891 36509.87401 28954.13664 251554.9659 11064.91721 14627.42666 249309.1082 56408.48566 59425.62138 130557.9426 11023.39488 8931.173788 890350.7084 1258357.907 93038.17305 1649433.783 0 223907.5558 920559.4257 17939.75557 12640.65959 792861.5603 639951.458 14285.06531 32869.78848 8889.074859 0 0 0 29013.79199 11639.22551 127333.4791 0 1521904.065 36232.70995 805517.6458 707037.4705 1303152.796 22897.71138 147134.6744 882429.427 0 124683.7394 42816.165 9953.134446 1622127.323 0 0 362572.8375 24123.13264 586137.8603 37995.03064 815197.6037 81980.81188 alpha-D-Glucosamine 1-phosphate 3722336.586 4143649.38 4061103.031 4044188.28 3281050.026 2620562.024 2353490.878 2773280.711 2709394.198 3029913.243 3093829.655 3837012.162 3705443.953 3878351.358 4240146.995 2201788.625 2835920.383 2390520.335 2701704.968 2191312.215 2413638.06 1978756.353 2437542.297 2490613.224 2583334.145 2404205.925 2657526.331 3116169.054 2799517.585 2641632.438 2186336.673 3183899.176 2515336.872 2786842.162 2829485.219 3094286.02 2593713.362 3319116.121 2407269.657 3877080.237 3748732.89 3393712.074 4221562.14 3855605.62 3949418.866 3673670.899 3284678.757 3986725.205 3917647.955 4002826.379 3894349.926 3914490.253 4011207.353 4400824.4 4082965.995 2271537.857 2232716.875 2058113.527 2164988.424 2397566.209 2129285.227 3200718.983 4340161.577 4553017.354 3886080.516 4199870.881 3471717.301 4219800.922 Ile-Lys 0 0 14097.81322 8370.534966 19715.06547 7756.1769 10455.08781 15582.26883 28152.09014 37206.30294 35610.96701 28298.79582 22479.41942 12766.76505 29341.31687 7446.784267 35785.6022 11691.56582 43409.65186 80008.57247 33955.21242 56428.6238 42030.87933 22419.23197 31577.04318 10072.36431 15662.64584 22975.16937 19619.66684 16958.00884 9209.72696 30102.49599 13378.02944 21669.15828 18305.97068 142586.2502 81451.95763 81621.42428 65969.23698 57676.06955 16349.23026 17646.61999 34994.4676 121950.5366 74784.13699 55882.85405 52567.44054 0 22897.57057 24589.24027 0 23640.05515 20234.34354 32927.77753 55876.58336 0 0 0 0 10886.00385 0 0 25618.20995 17787.9659 10886.35892 37327.67302 0 0 D-Fructose 6-phosphate 1188576.705 1221560.483 1226619.275 1279295.949 4255247.275 1974693.587 1944328.517 2340464.007 1605327.028 1782883.764 1959688.623 1490334.356 2092535.208 2291526.261 1611707.16 1386460.771 1406774.703 1302809.111 1363415.573 1848169.007 1913147.095 1688766.117 2895979.069 1443516.105 2154814.423 1607799.631 1150594.465 2189513.762 1177818.35 1115417.711 925841.5703 1074796.348 1184883.061 1323313.51 1215929.021 1120488.959 1016209.052 1245517.508 1011255.328 995906.1756 980982.2754 858567.5811 1081134.646 1137068.98 1322874.56 1268018.008 1201816.919 1162141.567 1205380.248 1555109.078 1135311.572 1486561.619 1548673.937 1798224.54 1526520.81 1504390.923 1500925.875 1538757.741 1652427.662 1693613.464 1748059.617 1527494.419 1492432.5 1515150.05 688667.2239 613479.6494 650381.0079 840247.2674 D-Glucose 6-phosphate 2709433.279 2627152.502 2707958.669 2792634.707 7666071.494 6718169.871 5969878.166 7135177.082 4437421.285 4749319.329 4716032.769 4879949.006 4785952.214 5029477.786 5616847.832 5199369.21 5546606.326 5051558.984 5487286.978 5842229.334 6258556.324 5387464.741 6980410.315 5396762.661 5531131.167 5172598.053 4831750.56 5380424.764 4877011.469 3591707.26 2858513.386 4078544.445 3651087.683 3905526.904 3991971.067 3513103.486 3123677.545 3517766.623 2964680.024 2437381.451 2555718.754 2389665.686 2699324.013 3598154.811 3570591.132 3679967.391 3586837.813 4296975.686 4458003.946 4541565.063 4690767.659 4777225.935 4757414.991 4948179.439 4439417.808 3853274.729 3977998.019 3730674.325 4773733.873 5202548.142 4817924.246 4027791.065 4544010.091 4940232.15 1596611.498 1606271.722 1590223.947 1708470.972 Bathocuproine disulfonic acid 65868062.44 62867171.54 66593853.88 63818479.69 59907801.23 43531084.12 38501995.61 42328051.02 52416381.94 56028696.35 55567889.67 63100850.21 72301352.28 68408874.11 79445215.12 79506858.61 79653007.42 82285852.3 74487787.01 48344768.82 57450717.34 44448104.23 54687343.66 35270087.32 37194191.52 37053100.51 27295820.28 30736332.65 24473351.76 29183665.46 29110204.19 33926603.98 31508617.48 34226065.55 35702536.32 70189557.15 61632648.21 74503174.56 58557788.73 32488337.47 36473822.5 28268444.85 38238682.99 53753029.64 55622167.64 66378194.23 50217410.99 39189711.55 32593741.97 32220818.55 35861275.51 45092477.16 46303092.42 44242733.52 36873654.44 41447138.94 42288980.38 39180127.29 37023320.38 43786810.11 40645521.58 39964958.27 54853545.6 59408374.11 35651044.45 39004752.5 35795822.83 40871179.2 Ala-Asp-Gly 1359442.146 1084121.488 1585129.817 1738003.348 1848307.962 1996154.617 969263.4638 1512555.05 1027502.288 1316455.574 1825651.724 1270217.618 752156.7589 824220.2433 1187440.865 1215172.982 1548381.547 2783640.279 1614604.341 777610.114 1297764.096 701082.0917 1235815.759 1239119.651 856245.2092 1572351.384 1566744.083 1153287.026 982195.1445 1297144.678 1025252.918 1095179.47 1111057.526 1218097.417 1240816.953 1114606.733 826193.5777 944779.413 679526.9835 1042175.655 936511.5531 1160792.924 1302278.427 2221680.655 1151594.414 1304321.512 913576.2447 1143011.774 1504731.959 2208471.262 1515930.533 1157841.443 1326868.695 1800275.615 1059196.383 1270027.51 1308006.392 1056281.797 1354942.669 1429576.27 1133221.015 1004122.921 2606785.203 1744549.995 889723.7836 1167826.113 893707.0044 1551596.02 Epinephrinesulfate 0 0 0 0 36683.67934 27568.34338 22180.19089 20262.24577 31677.90263 30963.10794 28591.18181 38163.63798 44526.71431 36834.94881 48609.91147 15677.38144 10834.23356 14766.37605 10534.53793 71008.50173 71809.26466 54685.62298 47099.73891 48375.7688 65015.79447 49566.47411 23459.64268 39212.34712 25668.37682 39335.68006 29617.40785 42546.74444 35693.93891 43926.73119 36291.58936 51331.07034 49655.80812 77162.61728 52235.75973 21740.99454 27545.78077 19182.11216 26462.44342 33994.27888 38135.48255 33138.64745 32645.28404 0 0 0 0 23565.95083 26555.39172 30811.89863 28238.36681 15700.95237 20906.50353 12920.27527 22709.99241 19639.27416 26643.83314 28612.27156 21244.04014 22711.9556 0 0 0 0 Thiamin 135944.5754 162221.5346 142668.7528 166380.1253 132550.668 90855.52619 85072.65446 122694.3923 362642.8129 394018.2257 336993.4226 155576.9771 158457.7035 109236.0391 156594.7827 122376.6919 153274.9839 137907.5248 156962.6973 131115.2427 154519.4754 148122.1058 122752.3164 142195.6116 186004.3933 81877.0571 80521.58007 119543.1312 91839.1629 132455.6099 108512.6373 186565.2263 85574.90245 118349.1803 98996.9445 133660.4469 124295.0441 178175.3534 119154.631 133482.7603 122399.6521 99478.4553 149307.254 223059.7023 187979.951 140452.8019 114028.1918 126072.6477 143658.1061 167568.7038 142614.787 118552.1703 108855.9113 172509.8802 148522.4338 73501.18076 114184.196 84814.13875 83150.94414 98413.14298 73963.33355 89373.7621 123282.572 132632.1126 114514.575 160381.3005 116813.2634 112793.6987 p-aminobenzoyl glutamate 114125.8727 94410.81573 50478.32446 96826.11675 110445.2873 77880.57453 39589.41594 66395.72296 54374.58908 75674.35038 36028.32047 43855.94334 89355.72443 84431.98813 107670.7169 84409.48339 41977.59248 84603.85901 36549.38811 40787.93614 67059.85367 50140.76166 63362.15452 50232.32787 37834.57381 62388.60289 73078.30247 41131.0394 27205.40386 58498.0216 74641.816 64907.24974 73441.68172 88428.25952 104170.4543 55521.76496 66158.0759 83033.01517 73562.71652 43323.20461 98304.25741 79451.58825 131789.0853 18900.57918 70132.76743 81088.32605 85241.9713 110829.8814 72434.48379 56432.30572 104154.2851 97168.0799 110144.6646 83269.05749 23939.06526 45688.1298 55982.17349 46754.46859 48081.59268 56138.81264 46263.59934 62154.16458 50175.6804 44519.25956 72694.7809 54929.46415 109667.7389 97970.98623 sodium dodecyl sulfate 98778.71866 110868.8361 97440.7334 103359.9331 1251544.645 267904.6651 201162.7371 218337.1951 171654.5192 163944.6937 186522.1019 121834.9787 115579.5357 119711.5047 154994.269 207966.6646 167466.2629 178715.7773 250587.4981 212841.0253 180333.9661 187947.4846 245909.4131 352898.2506 178383.9744 215589.8204 151420.3486 149778.196 147737.0136 91615.09612 115625.0415 119695.6643 338891.7325 376105.672 356165.8377 91287.28753 105332.4304 94018.43571 91683.71204 168177.9334 209351.965 346394.062 387094.2261 263838.0289 84101.47676 122060.1749 128198.1142 95551.36681 100528.3571 96014.87768 129428.8034 123609.6927 129980.5054 91318.43194 214900.2889 454567.341 476764.8769 539192.272 304944.2387 299859.4951 394720.4028 139002.3101 223855.6244 141855.7619 169912.2737 185380.7596 127941.7585 179508.8453 Tributyl phosphate 95827.50992 389213.7225 222760.0935 0 501616.1693 299241.2193 511693.2178 263073.305 540955.2375 538498.0301 268668.0828 111579.091 0 461304.4607 0 357300.5321 794059.0739 90105.48882 490511.0867 541462.8472 125502.4748 473078.8892 367169.8707 240694.1044 322292.5421 352773.631 0 0 233099.2714 0 322917.8585 0 0 325939.5562 555892.7151 0 0 482527.5199 0 457941.8377 395165.2473 316831.2865 344749.8911 372988.3797 270904.9417 0 233694.6197 113971.957 488795.8062 0 0 0 190471.0372 79384.00663 0 164030.7215 102958.9177 0 484694.807 0 814321.4963 125576.9061 219674.03 0 244898.0386 368314.4578 0 227944.2924 [FA (17:1)] 7-heptadecynoic acid 36330.60369 30204.8486 36241.76486 29452.44908 0 0 0 14481.33538 0 37483.13636 41628.86326 30595.34452 23075.01168 18052.50868 37271.3621 0 15464.22782 23355.90886 13454.34306 32162.45206 33569.21229 36226.6258 21386.72365 19994.88501 27341.02675 42012.3459 31350.97754 20272.94885 26005.18636 27674.61703 42597.70367 35687.64343 34451.83065 30518.282 21363.58145 169942.2631 171500.3795 232764.4439 164513.2662 326238.8075 278695.796 269326.924 322882.9272 118075.8898 148531.6047 110843.765 133646.7661 0 0 0 0 217108.4492 229521.0249 268957.2021 248406.1096 16748.0883 22395.40698 0 18638.36662 29506.41182 0 0 12085.89919 15842.59614 71162.79453 63180.85743 62003.79464 91122.20075 Oxycarboxin 49782.57659 22113.0179 24394.1614 45854.55957 50538.21481 31236.84785 42202.24065 50689.16034 34292.9487 32217.9429 23849.59789 38230.38326 42578.21919 54571.59176 43684.89629 77914.29705 79784.17625 71933.86838 71217.2645 60180.0802 74432.47902 60799.68849 70648.41954 50204.78541 39921.71269 59697.29145 43415.46981 57070.10209 44718.07161 45035.21155 38933.42088 32206.18229 51869.95968 46129.14286 48672.66605 86641.35348 95426.07605 93748.46668 111836.1158 28258.02219 39023.09751 37017.87016 35789.94449 67405.0791 72545.59753 83161.78032 77381.44937 31697.56024 40038.69338 32896.50726 38140.15223 43718.58083 40184.13557 51292.02049 48008.02729 43230.23124 44723.1291 40570.72108 37624.16269 43592.41386 44958.4014 29270.01963 36240.59222 42797.75449 21223.41698 16649.05437 18918.92663 20816.56302 Adenosine 259479.0557 236949.3301 308050.1571 236726.4901 172085.0989 116729.8726 118723.4927 132989.7355 94234.88141 115064.3589 147618.3918 198513.7814 200822.8629 184381.9657 201480.1353 441585.2259 586680.1752 526291.6823 690696.8422 117183.9312 118862.1235 138506.4063 110510.5939 163509.6088 157012.7823 130091.289 139510.4929 172832.5166 124796.0647 209933.172 169352.3202 222618.1193 141866.167 183003.084 170405.7723 163217.1169 150780.0011 165033.6728 127517.3905 254961.8049 242770.5189 185840.5347 221864.7532 173222.9983 157234.8123 189600.7095 130190.0466 129141.7682 142632.0323 192977.29 173917.349 140666.3507 176099.6042 185471.3344 196531.7546 167393.4167 147323.2067 141251.9199 120635.4404 153312.9529 148486.9586 116554.6342 145278.6379 185348.6669 234296.0916 260100.7116 181252.4982 239927.0677 FA methyl(16:1) 140314.8331 137169.2029 130035.2727 124748.6151 132311.8301 88584.33809 92335.62608 141302.9391 68179.67374 82542.07562 100333.3209 109736.854 93514.91124 95852.77298 102749.1094 155400.8635 167687.5538 148448.7162 136896.6983 137190.0035 159039.7811 175098.784 156978.7847 106555.7903 102556.8226 117076.027 108716.8155 100840.8071 96419.29829 136003.9814 145191.401 155303.9473 185021.5676 211743.2752 204240.8941 365804.107 371773.7438 470694.3013 346925.279 663993.5018 551559.3312 500932.1879 614675.9096 284716.3177 287743.7822 237221.5934 229128.1136 80114.25509 67210.8673 65291.13644 57968.75476 368736.46 397583.1885 427171.3952 408685.0509 145091.5539 136018.1224 163750.7322 146733.9888 114620.6831 120865.1818 66351.41079 95762.81271 78352.99165 218501.7467 213706.8084 180495.6504 247870.2695 Octadecanal 107000.0952 103952.191 113793.4612 118390.7662 98074.39846 98332.58666 104642.8017 101973.339 162884.1149 123066.5721 152950.3297 88281.81365 104850.3857 114498.2493 100437.0054 81445.53217 66547.02507 70040.05871 58098.53947 87701.61212 69066.60927 99043.55617 93531.60025 84912.93203 92779.52888 96979.98016 117902.7653 108640.5433 93774.30681 78451.10166 86366.9705 69917.40722 118841.3737 95090.38008 92304.61455 63625.86044 80152.93176 105809.0974 93373.01325 74036.0992 79767.75625 90261.34969 76957.25526 62742.7419 64555.25599 87894.62284 89361.36247 116510.8127 148216.237 109962.315 92691.19003 73177.46539 99875.10227 75679.58207 64638.7865 85397.37939 76006.54443 91989.85877 79328.31535 98702.01875 70009.03517 176160.4142 135830.9298 148411.4167 122696.5725 108081.9835 120954.7088 106388.5979 FA oxo(16:0) 85740.29628 58314.6369 74406.51059 66941.50048 85519.9714 77830.53046 73613.46755 92083.87115 56766.33287 72659.87321 75552.04835 56571.46339 56145.74563 53459.16746 72415.39532 79850.78864 83077.69628 72495.80692 95239.8668 94816.73574 110345.5473 121420.5608 82636.12723 86841.22368 70843.27994 65348.26661 59699.6226 79571.54701 59292.80235 88754.23867 54008.67109 74705.58116 105038.9465 74892.7191 84169.09045 73934.33369 84372.65515 134973.2449 83344.72064 65334.18826 67038.6514 72429.54852 80686.6806 85771.11674 77681.24749 79607.5473 71239.88655 84603.56901 98352.66492 89337.92406 96599.68186 77290.20768 99494.62594 92365.66465 69185.63194 91762.75991 84060.82036 116078.9889 78805.07293 124359.0851 90521.21874 58727.4475 56240.14052 68364.0539 103952.9612 66381.61342 70410.77812 103567.3887 FA (17:0) 609735.7414 550862.5114 559768.6497 495770.0538 822984.1406 576942.8167 547632.1593 579825.6989 515096.3723 578426.3986 574990.1545 367371.6658 418097.9687 407544.9049 490968.7813 908672.7047 925642.1329 866580.7483 964543.3023 595519.3165 572143.6825 729921.1637 537095.7055 484675.8846 440118.3404 588359.2625 493973.5635 466062.3916 426070.6587 496600.6624 516229.6358 557185.2342 550438.1521 625599.831 579642.6647 903781.928 1074256.161 1044029.092 803167.325 1381314.152 1240989.995 1196079.375 1508472.037 704257.5676 750244.9237 781990.0365 668497.8632 665248.7701 571134.8282 641097.3793 727163.1004 1021977.785 1102192.81 1104490.221 1043788.11 734435.1682 714755.0404 674990.6791 697352.0055 778330.9344 812183.3215 404515.6031 418495.3178 532723.5648 981107.9733 894873.6214 795678.7995 1002894.814 Tridecanoylglycine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 493997.159 700112.7599 551234.7481 0 0 0 0 60367.7676 61880.98247 0 0 0 0 Val-Arg 275320.7141 260793.2064 285714.302 261731.0877 416292.5976 240417.6858 246912.8367 342243.7873 323705.4954 472213.2751 509246.9009 643169.7022 547059.0127 533902.2497 693959.7233 143880.1104 182112.362 167928.3929 210791.2556 204098.0555 217936.9558 180312.0761 226793.4938 313092.4864 396490.9952 274426.0125 345535.669 563756.2397 370500.7127 336040.862 299891.8447 541863.0415 376320.1955 512926.3794 429918.1499 89404.50786 73862.35794 115200.0184 66144.74511 143504.69 134660.2644 117607.493 120665.131 101299.4981 145469.0603 96851.42875 97072.23686 145494.8396 142175.8497 175799.927 184970.7088 110392.6995 113117.4778 205854.9428 142958.2183 250718.1684 223080.7002 259600.0482 216338.6661 267147.1125 227795.7291 302367.7699 647798.7636 558593.6651 212294.4017 226920.693 152850.8606 182317.0167 Epsilon-(gamma-Glutamyl)-lysine 42382.65777 55655.95385 48435.34879 51498.88755 56513.41773 35897.51966 35421.8426 46803.63909 18004.40637 12799.44647 17789.39352 49163.22222 51516.07354 36488.38573 57813.74309 23320.18868 35850.12198 34069.70166 35175.37833 34039.72986 38715.97553 31633.37766 34381.51538 50931.43959 48609.50409 44667.4417 53502.78304 71290.6544 73398.87478 40903.38916 45577.13805 71952.70457 44032.10902 42561.88372 45666.93981 29501.76941 19280.18152 35351.33648 19362.39217 71765.11977 50816.14477 38543.81044 56973.43831 57115.24936 55937.26428 34788.02051 35486.15745 39825.20405 39908.08873 48242.11884 53168.19324 44461.01576 52341.7734 64927.73133 50349.07043 54734.65803 48190.68254 35414.44502 35045.88815 45803.11207 26257.8381 40588.51075 43532.13165 51960.65765 46847.89548 44765.92917 42227.56142 58754.38303 6-Phospho-D-gluconate 432192.2268 461546.5989 488296.9824 422145.0938 1369173.445 970621.0013 816716.5854 1075279.617 375816.8306 393737.829 454398.9323 389643.7739 400499.6528 415048.6028 466062.9428 530021.926 674721.1519 552918.9145 695499.494 376130.8685 407069.8633 331073.1078 430803.7766 1116426.065 1231053.432 983506.2498 1247013.187 1597715.589 1216680.333 422021.4198 294308.7543 567621.7704 373089.8824 492301.0468 442932.1722 371055.4443 272629.6633 360046.133 245848.1581 870982.6617 851093.4258 728786.6365 1011487.17 641278.9309 629416.9105 605535.1989 529138.2613 986599.4116 884609.1759 1007488.225 1092006.689 702031.1502 720392.0527 983995.8938 762397.1065 823102.0741 884308.2579 824191.3532 749939.4011 1004055.873 744497.9689 224808.2475 357835.3554 346806.9301 497455.595 567431.115 395813.6374 509360.1131 Glu-Glu 442484.7986 399248.7978 562413.971 538492.9398 676768.538 375330.6796 401906.3727 528880.8007 836281.6506 993918.1069 1079663.124 519553.8976 451171.9327 441181.9346 540210.8172 342080.6669 427376.6007 334062.6527 491672.6737 355338.5652 377680.1807 311908.5877 369853.1507 547796.482 562046.6661 374226.2905 486226.3047 1042866.751 756470.963 433954.803 318529.0216 712192.1884 341290.7245 482456.8712 497666.1679 376360.9797 281772.9489 410469.3624 195429.1595 475760.5483 417542.534 336681.678 523229.253 491351.1191 564949.4757 357025.5299 358303.6721 461791.9871 469804.1598 528540.6715 481246.4182 426510.7739 425548.5172 661353.1838 596789.8727 361880.4472 420819.0803 336990.9598 305456.3591 401520.9558 309773.9917 216934.2261 459735.7005 431719.4066 423949.1568 543153.9867 308028.4939 460636.7022 2-chlorohexadecanol 115814.4431 144625.3409 136368.1231 104447.0245 168555.2986 110442.3773 216055.7982 222204.8188 127349.8548 103054.8983 131924.3152 78498.95684 61099.25474 187126.3041 89542.4951 54083.92109 98509.9235 94886.70774 131320.3089 69628.55457 88429.30259 45286.66989 109588.0274 174518.0946 98796.93163 152229.0861 89219.37094 155694.7722 143648.7459 117499.3335 106671.5456 141844.5146 148950.8469 153236.6603 78325.69771 100248.4575 79240.29734 80295.93952 51359.47994 164046.039 126828.6454 80082.11743 94779.77797 97049.22219 111822.994 105226.978 79392.28788 156273.1272 105107.648 215277.3028 180708.6253 111376.7364 196584.9457 138655.581 115619.108 173877.7654 161348.6742 202804.394 105175.2028 240579.971 104047.2684 100696.0238 146868.5269 195987.4462 150861.3605 98616.58541 126805.5086 145898.9304 [FA (18:3)] 6Z,9Z,12Z-octadecatrienoic acid 74019.39263 58015.16041 57686.77885 60015.81328 61196.26896 50061.26328 49332.03679 60917.93949 64856.20665 67539.94269 67238.78605 48866.03261 46689.00954 40765.93623 51660.2974 127072.9253 130971.2145 83836.89116 105127.086 124865.2681 132156.7912 152725.6303 153507.3335 58604.70918 57123.06825 44082.95934 73235.92611 85230.5373 65140.56317 46499.10306 35560.3388 45482.67864 62196.84459 58544.02288 62971.23307 167705.5304 165988.2217 207452.5438 167581.4093 316062.1526 267819.0905 231506.4323 263727.0871 123580.2646 153512.5938 127171.4382 104047.3766 75186.3959 60040.34892 92829.68688 79562.31001 199441.35 204728.7942 228527.8096 216518.9945 63245.79883 55027.62913 57174.23978 75974.06328 63172.42011 71369.9307 27709.95267 43702.2796 49545.70645 152698.1721 111810.2546 106293.2884 143199.1509 Linoleate 2635926.949 2347727.54 2593255.854 2538628.619 2495939.059 1785536.859 1916193.65 1950694.423 3083796.952 3601933.24 3468390.68 2214637.705 2168222.791 2231611.665 2872591.816 2519617.293 2389516.622 2607339.503 2421063.609 3640322.104 3403984.608 4075020.268 3315522.238 2896926.467 2300965.263 2830957.982 2750493.436 3039008.679 2642010.492 2579240.193 2399216.173 2698131.023 2301087.651 2455565.157 2258303.275 12239460.14 13642955.14 16549475.66 11536458.91 25268706.92 19770857.06 18978345.6 24129927.54 8310008.76 8949931.623 9378122.129 7474372.863 2173055.63 1944303.625 2256963.869 2011632.961 16318262.61 17403946.57 20303172.23 18008063.79 2050595.961 2110529.478 1897422.078 2532234.589 2422440.584 2503248.511 1929380.701 1832619.913 2563381.232 5176510.866 4937234.209 4453347.707 5753846.445 4-Hydroxyphenylacetylglutamic acid 129467.0577 115651.4014 118030.4117 123070.9405 184487.5854 248634.6657 343786.8578 243487.8744 319669.1756 215410.4228 155425.0227 117516.1906 101603.4605 197896.1541 82250.55339 166962.0958 85487.57194 98680.5247 81529.16214 121951.898 135957.9752 119995.715 209074.8564 129865.5145 116267.4667 276115.3437 215169.7306 93219.55455 119323.7213 233589.9027 207035.0911 157369.5451 266963.4197 95175.14106 251791.5055 143635.1776 163797.4204 0 307835.7848 93503.72017 192840.6007 231751.0853 104611.1576 106218.2185 44068.40155 264821.2561 342028.8817 66454.67482 241056.1659 140681.8466 162743.3759 134271.4505 146173.2763 31754.03827 68566.39347 207276.7175 185117.6754 269794.8506 284734.2645 204440.1028 302578.5917 409490.5783 119822.9478 211055.5658 166096.2542 134880.5134 265334.4587 147264.025 [FA (18:1)] 9Z-octadecenamide 0 0 0 0 90767.74123 229251.8601 187811.0677 78562.80813 0 0 70643.8282 73240.99571 0 0 0 0 67332.43934 0 0 0 0 0 0 0 0 0 0 0 95861.29744 0 87671.14545 0 0 59404.09083 0 0 0 0 0 0 0 0 63894.27939 0 0 0 0 0 104078.1591 0 0 0 0 0 0 0 117468.7052 84248.04606 76293.80574 79731.68021 160098.6057 0 242463.0703 0 0 0 0 0 [FA (18:1)] 9Z-octadecenoic acid 2352862.844 1600640.325 1571185.307 1548410.745 2465802.214 1696142.596 1864995.112 1900919.703 1357544.349 1650916.794 1784729.75 1552721.438 1520884.391 1409385.995 1683990.578 2520939.108 2543664.323 2569770.958 2691676.36 3242742.4 3005109.399 3400126.559 2704975.651 1718934.942 1538715.379 1933293.998 1638477.649 1752767.312 1793568.22 1801718.983 1961904.143 2069466.539 2046330.163 2127078.562 2022186.314 4270144.902 4932595.471 5029653.132 4043931.441 6378583.144 5313800.184 5148609.498 6592876.378 2850551.798 2990093.263 3308586.601 2626183.583 1570395.446 1632647.377 1717068.177 1660361.694 4690596.238 5032863.063 5508071.838 4397752.228 1919357.946 1960941.275 3117841.457 2092751.317 2183555.767 2154088.993 1145008.748 1231700.187 1550496.036 3138267.378 2830172.888 2531927.331 2951590.045 Guanosine 174307.54 172414.7618 276460.7762 186665.8817 134904.8499 59562.20153 62103.91371 91317.99445 122464.6485 193060.7502 228006.347 229435.9259 176928.3189 129854.2457 194444.7767 227890.7302 290790.4348 239172.9206 336418.4 156120.1944 168045.061 161498.4114 155333.646 89732.78366 124194.0347 82625.37856 104885.2244 201635.1335 116786.5655 264528.2584 192495.7944 425070.4366 91188.92224 120130.7559 87950.8585 84629.48564 76255.17164 123981.7557 63158.33859 138578.7562 112005.7046 86887.0581 159990.5467 200731.6305 185922.5441 126420.1689 114588.1899 163916.0408 153759.6396 170832.6768 167841.5353 115160.7221 108462.2075 230037.0437 167099.3615 89122.85874 99306.27151 93878.2915 75886.3459 97942.82199 62241.98105 97866.0001 187514.0673 220142.0829 174858.7424 238184.2759 124040.8494 183609.6252 Octadecanoic acid 16031864.99 13852088.64 14432590.24 12392885.2 22405325.34 14590232.97 16333348.81 16548466.76 15276432.17 18753406.63 16724316.31 10282553.55 10459127.66 9745164.917 11576302.77 30497247.25 27722370.23 28413886.43 27794979.78 20684009.75 19123567.47 22685451.12 16324580.2 13121312.25 12343923.82 12703057.18 14250023.82 15475636.02 13415022.45 11048764.91 12028232.69 11260745.15 13206185.84 13038501.16 11669761.06 10657489.11 13044579.91 13007521.46 10951022.29 15898548.12 12839694.53 13185275.95 15493259.49 11753796.17 12861383.22 11868546.08 11555979.95 24388447.1 22751710.08 21553858.14 24276874.72 10621354.36 12999244.04 15394047.01 12203266.67 19379720.25 18968671.94 19796274.84 22306937.8 25938227.69 22036728.57 9612970.146 10398776.42 14078286.97 25257153.94 24796366.3 22213218.12 24430862.17 [SP] 1-deoxy-sphinganine 374044.3089 439914.7886 506980.8627 418929.7744 224906.2244 211161.2554 202634.2035 243359.5218 355011.7577 410015.417 519282.4348 453869.2322 480390.278 449655.7985 494200.7829 399445.0192 528505.9526 423317.3861 529571.0942 356528.3318 314655.6736 469871.301 255690.0595 329189.6139 356091.3933 301220.2385 347544.7217 473836.7493 370739.3278 296325.1817 285573.6992 342632.1951 300085.541 337979.261 348929.8276 368325.2433 326249.3193 440750.4373 298263.8404 484335.7317 349279.176 325099.4335 400308.3694 446688.3314 471547.1606 428819.9327 315056.9306 397799.2512 413259.5695 500591.6201 477508.7491 359838.0281 405697.04 470108.703 473966.2199 161773.6294 172484.2261 162992.412 144380.7593 166460.7631 162287.5108 337502.5371 494740.4192 490154.2821 456867.8747 495045.4498 369867.5021 468930.8823 Sedoheptulose 7-phosphate 261539.5512 258913.2757 316993.1421 293042.1512 148875.5589 95719.11742 80836.04359 109559.6096 74483.66561 68759.03169 79269.49127 177724.1364 132424.5114 147303.6787 159074.703 89968.4845 96216.19021 99592.98117 144408.7463 54976.57945 61287.07051 23593.06742 44276.80724 78773.65866 108403.8619 74560.59034 65033.95391 85059.38064 81635.01451 98680.32733 69723.72115 155739.0831 126626.2412 152418.926 158472.7736 85958.517 65556.92384 94411.21858 36558.89649 153110.5909 122452.1774 97702.61549 174590.0387 119867.5365 143938.0937 113644.4001 97085.59564 140272.6765 117609.525 124301.1635 137018.5141 110020.1751 116217.8747 207686.9254 165944.38 87557.62805 88081.27222 78614.02323 118343.3638 127480.671 91504.1614 121603.0338 254011.2365 269785.7828 264621.2416 274750.2494 173014.0206 278225.2713 D-Sedoheptulose 7-phosphate 350537.1002 359319.3653 370925.9032 437888.9371 289799.9617 283505.0147 277932.7561 273920.4836 234300.7456 261464.7234 238409.192 193464.2801 196145.2111 191670.8071 207550.9082 371004.6975 329231.7962 330593.4232 353215.396 163489.9887 160749.9377 131215.7734 177397.4639 191458.742 189198.3582 198664.5641 184581.1638 202361.5391 203372.1652 177732.8602 119141.9949 161566.7217 150384.3015 156881.2082 150906.1684 180645.6242 155009.9904 162376.0812 163605.4158 220185.4829 232266.3989 244556.0356 213619.1458 180774.8473 170750.4625 190066.6178 206423.6878 337309.3848 349808.9406 375722.6489 358958.7132 222258.4331 230377.659 229283.0612 214338.8974 182327.8362 183541.7937 167641.5722 196472.5541 200808.9716 205467.065 318925.2126 298104.0796 344789.6976 223066.711 235365.7171 256066.3649 240195.0983 Phytuberin 1009661.664 786455.481 540122.2373 497523.3543 1848730.225 904969.8638 784970.7255 1337587.52 772975.993 1396061.181 754779.9267 2181345.164 551509.7137 624716.0924 399610.3306 388918.2857 434303.1423 357190.0843 848888.7708 1218572.374 1245441.135 720382.7966 430525.7486 703565.2875 1212200.119 679037.5348 456740.641 307965.224 779581.0018 319214.6549 1131150.175 2603634.603 489706.7924 1199799.017 604752.6904 332970.8185 324818.2301 637401.6047 449769.8863 534741.8097 200775.1839 271332.2167 564267.5185 696491.827 617262.0747 542669.6395 680878.5225 602768.7749 658765.8595 454830.2568 563616.1039 259098.5856 366239.2648 841009.4397 425784.2187 3374018.137 1406885.755 12181496.12 1307788.087 374674.529 701003.2309 789584.3912 673804.3703 1166209.848 371404.4998 962057.173 1414988.007 637793.0867 2-Methylaminoadenosine 97768.29607 99505.13629 114496.9151 81641.49325 90461.764 40003.08996 84090.28776 93053.06813 68425.32627 98303.9268 112258.1209 115377.4403 95319.62628 49244.16521 93802.15952 44165.31425 102810.7772 47405.40811 104375.0632 66884.13353 44483.27016 45702.43666 36593.09971 63634.01386 83273.97161 39610.59064 72156.14341 137550.0927 129981.1578 73839.36331 42404.04324 124164.6484 47181.71359 117023.0946 58590.06283 52262.61191 34147.17045 69468.6521 21712.23646 100734.4034 63754.47166 55871.533 129079.1453 169718.3363 142621.6043 56775.51772 40451.1077 112714.546 97734.37242 94088.23528 104424.4409 60769.78479 58831.74335 155818.5608 150173.4512 36794.99211 67949.65769 50778.53509 48541.26179 66774.74999 37782.73947 35477.54213 93614.64621 96616.2226 82876.83093 158817.5669 34120.06013 119747.4247 5'-methylthioformycin 2185002.576 1562387.37 1301105.56 1175087.52 1578194.215 580633.9755 304748.9668 840398.4756 6881089.478 6906148.047 2781265.671 596059.7948 1495890.059 1912795.64 1668370.892 2602144.984 2061346.036 5565985.247 2859734.602 553999.9118 1444371.945 781165.8679 1503708.971 402071.1226 519998.1961 1232320.613 1654793.425 831369.2577 585796.4704 1135090.586 1159522.737 1460771.291 1267991.072 825683.6196 694671.1962 981495.7349 840592.6548 1352121.321 754322.1782 1034074.116 1604837.254 1248674.525 3470769.993 987185.2447 2121357.377 2564065.184 1781682.449 2035650.278 754638.3544 502094.2732 1625955.898 2101020.004 1834516.973 1459297.171 1250003.61 775790.0059 483718.6386 552367.0624 854317.7649 1165208.107 1113888.784 814806.6066 672484.0506 642556.4189 993422.8497 1471203.763 1897534.446 1133033.011 FA oxo(18:0) 124875.9181 104408.3624 116802.4037 103550.3242 156388.645 122697.0191 135470.2177 136606.6168 109830.6164 113646.2953 117450.7008 95762.81055 69261.4983 75180.35015 102249.9641 143733.7269 185961.9157 144957.2436 166654.5368 144358.5109 134735.9348 164884.1309 110924.0467 152376.2574 110295.4972 123508.5178 88341.81376 110380.9815 125816.3259 80407.76411 100825.4436 128769.9819 109626.3222 122834.5426 130919.8701 113435.9749 123207.628 175070.9718 115554.4886 136564.1721 99422.06715 14097.93427 147377.7354 137375.2534 131707.7946 99380.65351 106169.742 154235.4041 121374.7812 184903.6142 124010.4912 115369.9356 113952.4157 112019.2869 106140.0866 248306.2243 262496.4847 307691.2272 145548.3155 164694.9051 159237.4389 73864.17119 92803.13541 92393.94558 132247.681 153311.0701 146567.1484 178938.8301 FA methyl(18:0) 128989.0505 105238.9883 80685.07955 84774.61528 155285.5673 104788.3863 100857.6577 112980.5319 112755.8692 127040.4838 153295.5385 114237.8407 108766.8333 88772.05783 116346.69 181842.3781 135831.5122 179525.6446 164952.4177 128962.5693 121583.5063 148112.0127 141373.4881 99034.21129 90621.98795 82267.21511 89384.89732 119404.4392 91573.2206 88381.88001 116112.5273 106440.3664 105978.4613 103189.6576 89593.66984 88562.71976 120620.2349 134207.7935 84955.70105 170703.3881 136338.6567 145899.9719 167834.1225 82617.63567 108194.1592 86380.31945 89047.10202 94007.22069 105933.8555 102540.5729 113799.9436 109404.0084 116924.6499 196129.534 132320.8142 112698.2011 119893.6878 108200.9157 102930.083 148420.3726 119846.3912 111549.9035 143514.8403 137227.4314 152308.5474 155245.906 153428.5192 144144.3255 [PC acety] 1-acetyl-sn-glycero-3-phosphocholine 38348.97255 37849.88625 36635.42552 34513.00362 245503.0018 214465.3441 218263.1171 262522.2874 116305.5155 153597.6354 148955.9999 113703.1387 93586.47771 99923.02298 122219.0036 117084.734 114755.1166 106100.5984 132813.7502 66681.92963 85429.66805 65044.51729 66701.22351 165650.3509 194673.9188 140744.4947 152007.1899 204230.5043 175316.5832 92347.09748 79046.03246 115331.2232 90485.68107 101630.7539 96927.15061 92025.42148 81045.90395 113366.227 66912.1693 100499.0574 96517.81419 85190.67665 103477.0902 142350.5788 141972.3303 125399.9804 104761.5684 244397.3906 246646.0924 261115.9706 250261.1472 139875.4067 131688.3768 160676.9376 150097.5725 244516.7242 242855.7325 205821.2208 94364.30727 124656.5882 97116.32189 83333.74556 145760.651 146724.7369 151989.6822 154619.8276 118268.2314 151683.8814 FA hydroxy(18:0) 53060.49179 56911.37885 57275.8986 57362.7707 81850.16782 63242.07322 66833.05623 77161.6149 53026.74942 57237.48437 59179.08177 46047.81712 38791.76765 41916.82972 43207.51271 87301.41328 56380.24234 59611.08823 85195.99912 53297.92418 70876.73445 73296.30808 61734.69773 62892.49159 49361.95304 51475.84755 49895.3812 57677.00361 56901.70774 35287.86219 44959.6989 48049.45519 58442.20833 53547.8999 58638.36036 29614.24416 48705.16285 59035.89854 38692.72971 46693.74062 41767.0496 42093.11308 61830.38974 48664.00028 48150.89628 42556.82654 51846.00764 64260.457 72744.68853 53586.15775 63506.52725 41356.544 36376.85859 45876.2582 52218.57172 149973.4619 145238.3527 169453.8787 90416.30483 69109.65195 59697.54231 49191.74261 59978.05043 52694.99772 84305.80411 62541.33063 53795.18375 60709.7023 (Ac)2-L-Lys-D-Ala 52713.05837 66185.12668 65043.26349 66228.22346 48019.09567 64602.9971 71757.14025 54945.69405 24039.58252 19550.92608 25616.27661 48701.74986 43674.36835 52148.53403 32197.32803 41905.92635 49749.43146 44976.37241 46869.88815 52855.23405 45516.34725 27972.91251 62474.5328 61528.93713 53262.25483 49214.34237 55464.28596 56659.29359 66801.95394 65498.87598 55551.30317 50367.56823 55073.51161 49979.84329 59351.57611 82999.84085 102459.4813 71946.02103 84931.97607 138922.9608 114147.2989 112523.9009 96850.312 119094.7198 81199.24392 98363.37312 117483.9683 51184.89529 86322.86798 76102.37058 51321.09122 130300.633 125595.0818 93446.515 109680.848 67969.40119 59316.41447 56998.93879 67021.98853 58817.38407 60005.38062 55843.85054 46873.92671 55312.84692 71070.07777 41061.65442 67115.56504 65671.54668 Sphinganine 95505.60583 90457.34759 105195.4808 102464.2163 118849.4479 81293.305 55915.53551 121643.6314 26498.19628 32941.44491 46783.6617 102809.5499 74403.47135 72134.07557 86403.58742 102847.8532 145381.4173 114174.5774 207852.027 93684.20027 79191.11048 90481.41442 73521.99659 80519.80189 78469.0853 61916.96882 93481.88893 165579.8123 90270.15625 94097.3945 69018.51108 83394.00059 68491.7752 92512.54857 63697.53307 57566.06574 35574.28835 74724.71848 41287.96386 65239.50261 65479.05994 42706.77546 128306.5219 74958.32612 84545.94343 59008.93856 41375.26825 103885.9872 89602.56333 90461.30551 97762.35591 56698.06823 71305.81391 91203.97089 88378.3454 102495.026 145642.1605 95465.16184 81796.10507 161785.0004 101464.0486 39725.6488 100076.8291 75272.29772 100874.4451 172001.9609 85753.0641 90337.44684 PIPES 2425198.39 2488481.713 2448393.632 2704330.765 3377004.438 2822438.864 2712286.438 3137227.932 2024509.173 2480792.081 2342662.383 1755642.454 1782117.074 1749697.571 1985074.513 2549124.182 2573684.331 2419071.523 2602720.183 1464494.169 1511582.083 1292202.13 1709924.274 2096865.606 2217148.802 2024147.083 1988149.776 2258094.472 1956270.348 2100373.761 1666907.947 2417400.826 2082539.942 2306506.995 2436268.576 1317181.559 1174587.754 1313354.785 1138672.281 1638248.802 1633488.237 1620659.306 1809290.976 1592242.597 1578139.454 1644667.161 1530548.641 2920081.754 2898022.079 3042474.985 2992606.065 1732600.947 1753357.24 1831811.593 1668226.957 3256649.176 3329832.641 3073830.489 2960206.164 3431442.617 2978084.511 1736551.552 2265836.621 2359697.125 2296583.117 2368812.072 2240775.533 2605103.475 [PR] Abietic acid 35594.11127 42500.72652 49715.16265 44716.03949 9241.124291 121778.0538 187530.1208 37923.34099 17690.83549 59926.60313 21223.19744 29584.80854 31376.91136 88528.47901 39665.68069 385012.4645 68543.46888 25228.05278 31774.4537 129258.8759 53724.67226 73199.08386 314848.17 494547.2775 40061.90785 40733.55999 31416.86312 17593.14584 32604.37503 41632.36909 48167.82368 39479.00628 34763.81343 34230.70971 41446.84712 102430.0814 164163.5326 200569.8741 116059.7788 191563.068 189986.4673 159835.5355 231863.592 91477.19991 93333.46071 75131.33561 62883.62833 13049.76151 12918.57681 0 13511.64531 141175.6627 544442.2487 181610.9476 141943.729 0 29220.73353 24372.71347 60186.16831 22060.98631 85780.72054 0 14984.7773 18905.03601 72976.02496 80187.36822 83483.75881 79350.1746 Icosatrienoic acid 235091.8265 183834.1682 211610.5989 183749.8029 182977.615 160275.6895 127491.9989 145400.4788 153240.2868 177614.585 198521.1751 198195.7805 240036.3656 199865.1332 207538.5186 329069.5112 297076.8484 274192.2461 274475.878 379812.7197 321050.1414 395979.2355 274620.5419 193343.7988 238956.8192 199911.8398 180371.6992 206521.7582 140931.8497 226523.8745 242051.0778 235694.4115 203741.8946 249912.6028 220156.0542 588265.6621 638693.8976 720019.1368 548454.9522 949327.3659 769419.2626 698704.7145 852798.8608 426187.6427 470528.9816 405431.584 351890.5447 108661.3595 111803.0457 107102.0215 120724.2516 619291.8256 606100.2953 882675.4128 667421.6797 176322.7201 151545.532 186924.2416 191909.6285 171693.4113 212287.4197 145645.3498 163049.9031 206925.9507 325192.9378 315808.9206 278930.7919 330679.6986 dCMP 59984.70795 59122.38909 68196.23785 99351.10613 34164.03809 34765.46123 52384.54831 36861.21278 0 19533.97106 25490.97069 31930.13753 0 0 0 0 0 0 0 0 0 0 0 0 59951.63246 35782.99612 0 0 30183.83591 0 30477.35674 0 33332.93772 0 41970.0682 55487.96594 57314.02462 55254.98647 52293.45065 110854.5469 88654.08717 94882.8008 87477.61114 75785.96392 70914.06331 62559.21614 60550.15902 32449.91952 53765.95872 53380.15981 35836.90656 64243.0431 53968.10574 65838.53788 54812.32246 49908.26115 78150.39663 60800.83421 33577.57501 74669.08611 48693.7576 0 0 0 121561.381 85442.25638 102534.9149 124677.6183 Glutathione 3286298.945 3988520.033 4638788.634 4254831.711 3447537.46 3119163.981 3376181.055 3793743.603 7134696.472 9090565.11 11437274.38 6844288.09 4228199.577 4037890.094 5727770.376 4465035.357 6104419.07 4017422.239 6436588.992 4917791.17 2967191.125 4001723.575 2163017.37 7756145.18 7077521.909 3929283.067 6908500.863 11248494.7 11420897.49 6930005.991 4663205.147 8156821.809 5135067.796 7864125.655 7382079.407 2577372.195 1754688.376 2727787.478 1633129.081 11981514.53 8407984.196 7157375.806 9098169.401 8908928.31 7624015.827 6079187.699 6030901.324 3219743.234 3129398.982 3677884.647 2964065.879 6470995.935 8062220.862 10909167.17 9498758.924 7226052.635 7902126.126 6046769.4 5606695.068 7247382.864 4974224.64 2027841.774 3910506.666 4204213.317 4481047.337 5163469.629 3103393.14 5562317.67 dUMP 120800.2459 126411.7589 120393.1111 125999.3924 101665.6587 96039.10683 90851.0479 107460.1636 34721.45144 46855.9101 52081.3207 58904.14434 58697.33515 66709.98015 65632.58866 59323.71685 71177.99698 73852.14092 75094.50362 28041.66201 30313.41743 27421.82006 36806.64245 71488.00082 76466.33822 59010.1995 76282.6919 88955.16824 81015.40532 53863.87741 40500.28811 62212.97209 57377.01075 60933.48102 59723.29249 60185.92556 69031.61398 72779.12457 61986.67108 76955.50729 81944.25491 81860.81373 86224.99555 70541.23593 62989.83112 71728.76679 69536.21874 92851.98226 111703.7067 116031.4598 100384.57 81439.78526 74382.79406 67524.00421 65438.9817 111321.4519 91464.6696 101089.6044 76741.46939 82538.94963 73284.41612 45948.45419 58284.29556 60499.10593 123501.9529 106643.2456 126679.8739 134373.4014 Icosadienoic acid 73865.0573 76520.85535 81062.14564 53798.7146 66957.47788 54755.78976 48960.64213 57681.90775 37628.6133 53568.46935 67895.75918 62251.17562 63641.29658 48122.91097 66136.46284 107979.0485 93311.00904 93166.37296 79004.97774 75261.67688 89535.55896 126162.3248 75769.9833 62966.85663 47813.47137 42431.83743 58527.87645 67094.81923 53147.1762 60350.55135 65465.56974 68496.99573 62700.50185 81365.56827 77549.30836 108547.5023 135674.8974 162581.6329 131170.0633 231790.367 148107.5896 154741.9068 184778.9171 94407.77645 98957.2601 89828.59953 88185.68413 71842.77396 46009.83145 46747.83371 37384.15597 102197.344 164989.2457 162061.0382 139163.2085 60014.06802 69323.31294 82050.43615 46565.89604 62732.09422 54749.93967 46753.31969 49743.41017 64349.35516 77507.03041 88658.24324 66494.91362 100834.9897 N-Acetylneuraminate 36057.37848 31190.26797 36743.63012 31945.44992 106685.1458 91630.42313 83008.37983 101499.6726 87853.83401 101429.16 124370.1422 155197.23 152966.0253 151991.8344 178721.9066 105440.044 94898.96273 90327.34568 100143.6569 221655.9686 223511.2207 200176.5529 233418.8319 169567.4562 188026.0788 172691.0007 105300.3378 129907.0383 114164.6665 132421.6512 101348.7045 151489.6293 152945.8418 178494.8158 155107.0658 253695.3616 200225.4756 250492.7071 194823.0752 81369.41852 79050.54781 77785.74695 87723.01033 150241.7649 159663.051 167201.7601 143603.2619 51946.70247 50528.89785 57159.25444 49743.83413 87108.04301 94487.0969 108093.2177 98679.45875 64171.56838 67309.60012 61180.60112 78291.27633 82548.14881 69266.06713 58025.10909 60885.89205 67083.07643 29612.32196 25053.06345 24281.67483 29650.73817 [FA (20:1)] 11Z-eicosenoic acid 144755.0871 110005.3661 144250.9819 129870.1183 144876.632 90307.49911 109397.9227 116473.7131 117477.4167 134509.6139 141223.7263 103816.0982 102174.1169 84333.95411 133342.3032 191703.6564 183903.2125 166139.9509 175311.2635 150903.3557 129004.4031 178171.9898 126011.1563 104145.4873 95775.49364 94067.59586 99978.86021 136888.919 142155.7864 104675.0088 118310.9854 121629.3679 111167.6422 99302.09877 122735.1413 175527.3494 190991.7418 237361.5798 195153.4245 270142.6862 224759.6871 181782.3996 265652.104 120229.4968 135922.363 145304.3889 137660.457 83401.13708 94303.26196 71954.74348 83639.47607 182865.3838 252390.0424 256574.5209 256371.0499 107424.9081 122325.461 173515.7989 94648.56582 120426.8695 131164.2918 101902.437 147584.0792 129818.3819 164165.7677 144357.8336 158378.3551 158967.5618 FA (20:0) 277778.2559 272233.409 293450.7636 298772.3969 511063.5478 313805.1389 247204.8614 357182.5076 309666.5726 359025.8305 401580.0347 226077.6133 264036.5977 223596.3371 270330.1487 555638.4433 452303.5506 557403.8152 568192.3651 406528.0522 314155.9553 410105.0381 367481.6774 247745.6123 307341.3451 250992.1792 266301.8675 312345.8679 229520.0296 184821.6326 218195.7681 171913.3659 257946.6333 265738.8878 247395.9377 157147.9553 190795.1195 216487.256 166166.0243 205101.1594 193722.1224 166061.4571 214947.1571 197208.4161 186694.1856 210794.2257 182476.4462 424376.6665 472995.6702 401372.3243 485202.2078 174859.0702 164006.715 199830.753 198743.6173 294496.51 367004.1909 320814.7441 381490.0988 429849.0797 381726.1806 235491.6228 378365.6813 365926.0675 507410.0838 465892.2578 353280.343 466801.7349 Margaroyl-EA 0 0 0 0 1962331.114 2752056.082 2046800.009 3024870.879 1655661.646 1934004.531 2369910.071 1099511.787 1258353.794 1040187.736 1217504.069 0 0 0 0 2760557.298 2188665.292 3285459.293 1756178.515 1777327.799 2672729.937 3159956.895 1957687.214 1675986.663 1750869.359 1989254.878 2733245.797 2052039.995 2193829.316 2353291.411 2006252.324 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2415972.826 2277241.648 2545428.046 2184195.433 2246677.632 2404723.521 1193830.422 1779954.768 1660957.67 0 0 0 0 FA hydroxy(18:1)] 47716.97815 10675.29556 34139.09664 82821.64569 23996.47982 0 14008.91387 34444.10192 12142.21376 6574.569291 31901.11073 19996.97463 39478.71276 18719.33586 85239.26581 10923.39521 19987.94485 32180.22365 22440.80234 18401.09617 32376.7242 21261.76183 9230.335665 23001.59681 12005.67138 9980.020898 69640.27254 105853.6527 11635.71824 116152.7309 9832.648542 34608.47459 74442.91259 18026.87549 10351.19112 67380.87556 56396.491 13957.46318 13119.12943 10347.60134 0 0 7706.632101 12402.70562 10169.46469 22854.32597 0 105447.2224 16187.77831 74453.27878 72241.88161 94392.18744 10830.653 21844.53244 71296.32814 16244.73057 30778.62288 35754.76868 11931.11429 120459.4728 16812.62747 0 36559.36618 21203.42869 51611.60632 20845.34466 75253.91404 24961.85206 FA (22:0) 25096.85581 31439.91812 28589.78653 24603.83376 34095.77187 42663.60022 25561.00825 32599.86826 19296.55115 17645.04082 36390.27885 19628.75727 19418.18049 23116.83966 25016.10124 17339.06864 27503.25125 21957.09071 20162.60167 51902.87891 40876.48795 86834.6741 45049.73329 34185.45915 27885.34964 37565.5092 26310.62353 31328.47668 32166.83598 37878.00055 37609.61898 37968.82689 29978.7352 24330.51935 32013.64885 55303.9187 70970.15336 90635.15385 59637.59593 38279.57383 34054.99947 31819.04354 32833.80173 62167.07143 63513.53161 63241.47884 43295.84614 27832.29031 27020.86368 31137.32437 27866.37252 35609.17678 33303.40773 38987.14281 34348.57284 23809.38599 17753.71151 17414.09921 27427.52188 35390.3171 31995.4871 15949.72646 23307.99077 29184.37743 28171.6658 29313.14044 16107.60214 30790.35236 1-O-Hexadecyl-sn-glycerol 78492.20423 104078.3537 109572.909 105533.2698 124043.8639 165629.615 118583.0855 116508.7168 122585.1781 107780.7098 111141.1321 104242.9236 95604.12641 110406.0655 109375.0295 67007.27174 63349.14838 55743.0632 66019.35974 75872.43101 72638.79441 103029.8573 65582.95788 88389.89116 67727.7525 85881.96494 80643.03769 72152.01841 72617.78822 70674.0691 84437.95217 76227.49613 89708.49196 80455.48678 85451.2567 71587.37688 78927.64629 77549.13591 90892.9883 80046.56162 76449.80839 70944.0347 74106.69125 66295.32914 67797.16675 78432.66953 88208.0943 92146.95775 111543.9734 97193.44106 97377.72547 70894.68136 75514.56257 70846.2718 72738.97273 105577.1265 101252.8443 105338.7043 96568.20054 110495.7766 102326.0634 145701.6358 119465.3409 134914.3427 91023.8384 81358.80759 100356.0056 87888.28304 N-Glycolyl-D-mannosamine 6-phosphate 71025.52773 84004.50981 92485.06407 98572.60938 70651.38912 55239.33515 52960.13366 64598.07364 38803.06293 57040.13767 47741.56715 64781.46285 48791.29858 66493.28954 58076.26106 52169.57929 63810.20361 37545.83644 56310.43385 49100.8067 39442.84551 52242.16679 48801.29855 80393.41905 69788.8439 58386.28007 52611.68615 72407.21974 64947.77887 57781.04861 54999.69742 91316.79877 58544.63477 71553.08421 72083.41813 61669.43972 46498.44384 50088.67605 41465.37097 93030.82 84245.09372 65597.72256 59895.40112 81753.60064 78689.21279 54965.96965 60842.35274 74861.66557 73830.89196 103974.9079 97136.77466 61134.59965 62363.54597 75542.63511 69392.7886 90266.76618 67503.4929 68839.66622 55390.80601 62736.29253 55453.08732 60281.21664 58416.57531 65386.24035 91593.79713 89212.95415 67906.87224 93951.58276 Ile-Ser-Val 0 0 0 0 98187.24399 102664.4942 97384.9582 80977.8412 281122.7474 203179.2875 194505.7037 53833.93577 90585.62062 95756.93815 79416.74725 0 0 0 0 0 0 0 0 0 0 0 18776.51732 17956.51654 0 26098.50631 0 0 23747.89437 0 37330.09473 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 50781.44265 56869.37733 21343.71132 69316.47952 28619.80114 71083.68277 101541.6365 53487.93441 90123.7516 0 0 0 0 3-Deoxy-D-manno-octulosonate 8-phosphate 107012.8133 109259.5374 133365.713 106604.1306 326786.1776 127499.3499 121406.6138 180375.9307 52633.39115 70032.79099 68985.36019 184803.1012 210752.8482 162205.3974 251312.1465 18210.54963 35175.6704 31593.44606 31701.73866 68849.91601 85999.47435 51089.02974 66510.47553 141361.6374 158127.6691 105320.1154 145156.0143 240752.1545 176936.13 97356.46884 65720.18019 204588.8588 105673.3739 161125.2215 116802.8624 109673.0825 65428.99775 187359.8926 50999.86275 234482.2235 116924.1403 87145.4027 244271.0557 228280.222 223095.7536 149487.9641 117891.8683 107445.3274 60983.20578 82979.60464 101677.1751 153451.1723 161161.7035 247293.0734 226420.1107 128848.2959 161255.8183 121457.7609 111952.1211 168794.3008 92251.94362 25653.68057 115722.9052 127466.01 52454.27476 102453.1806 43646.94804 62580.592 octulose 8-phosphate 2726131.611 2512473.191 2902979.633 2857322.152 1890166.134 1561861.521 1530807.543 1704812.069 1698049.19 1869137.424 1839084.318 2157216.671 2101168.727 2119699.421 2329940.896 1521233.324 1835944.619 1625960.099 1903383.318 1215119.191 1200679.585 1060045.472 1374882.234 1316981.255 1515726.344 1224663.453 1363216.361 1596503.51 1390818.088 1498140.352 1145724.883 1654635.847 1325927.824 1544762.695 1518746.322 1747355.912 1416514.673 1709952.435 1270101.766 2152381.735 1995509.957 2075183.55 2271818.009 2018156.749 2033474.684 1999004.048 1812001.025 2797826.043 2645277.422 2808072.379 2950260.043 2120236.93 2093222.878 2442940.108 2225313.337 1220404.817 1287616.325 1205015.403 1313189.484 1400280.358 1291206.301 1657725.313 2225860.042 2363425.874 2540001.796 2767108.487 2380836.947 2734595.54 dTMP 159859.5087 171909.657 185204.2288 185419.8996 77793.89041 65034.22049 57493.3872 80101.82609 62930.31631 89776.59835 81799.22114 88768.37403 88958.43987 85851.79261 96802.73553 95280.76555 117963.7369 105895.1892 118076.8179 63113.91871 54838.07996 63403.55893 52189.13631 71562.40687 74119.17815 60878.52799 89470.9494 113160.9873 93648.90926 85909.31323 78681.16837 111630.257 106700.8854 117114.5302 106988.9345 230149.7262 163254.1144 267091.7816 149569.6116 336955.3266 290846.9726 275228.6668 367259.6811 191264.1629 198505.2364 173848.2123 151057.9211 92953.78039 97414.35659 100140.3006 93554.70008 190721.6405 195083.5531 222164.3939 200892.8764 127315.6668 132641.0014 131468.2942 108451.4011 126939.3048 100906.9198 72642.8377 105397.015 105146.4258 306484.4546 320535.1943 256668.1423 319045.0745 CMP 300510.0663 330758.0295 348055.4932 326420.3322 294947.3568 201582.6329 208567.5603 210694.734 239393.4297 256127.9611 224734.7369 267941.7772 293526.095 278122.4387 358849.0241 251725.1984 252143.6693 246413.143 273907.1973 144242.4967 137995.4553 128624.5253 198115.4697 246660.8899 232043.8412 234489.0643 248861.4565 280194.4728 252361.3005 347296.2959 278657.4088 367667.6829 285478.7648 261691.8056 308909.588 220466.8665 229023.8167 242452.2803 225333.2023 332697.7367 331082.8149 336998.122 358237.0413 362186.0936 356808.1256 458358.8392 381735.5381 295279.2863 332678.892 360479.6174 306423.7704 328172.3007 326821.6424 357577.8406 321586.1727 332818.6911 339847.3989 325580.65 225755.3841 249285.0072 201900.3413 269656.9873 265796.7872 270618.4361 333190.0621 376862.117 361177.1331 318682.3141 Cytidine 2'-phosphate 52797.95569 53600.01905 56729.80473 58305.55548 92854.8081 105246.4765 86042.57851 90818.63814 244716.7058 272833.5601 255380.7652 89442.74465 96956.73857 101912.326 101281.028 45309.38738 51156.04891 49087.95355 48042.09551 81949.94916 75728.63957 68002.43938 104476.0106 107734.7238 89868.16857 99197.36538 87069.64477 90761.49874 106743.2925 100925.1284 99048.81975 98828.86287 147137.9878 115797.009 133624.7399 69239.05405 67002.33192 67054.00689 59766.07336 108551.6336 101852.9629 111995.9931 115387.6365 103409.8005 116500.2448 139600.084 130328.0118 56637.43788 60834.1723 64050.05415 70150.47229 142457.467 124794.0522 120117.1939 130923.602 117172.2023 115256.5099 119232.2051 100996.216 114978.4472 112310.4039 89827.62474 87881.51507 108123.1316 72678.63789 66942.4615 62441.5153 55275.71183 UMP 4930102.632 5321434.357 5179076.571 5179004.777 1834135.271 1656298.409 1681744.801 1684965.448 1570481.697 1716931.245 1591921.312 2924650.987 2663447.043 2860996.146 3273928.614 2021464.02 2214944.757 2237861.009 2106858.605 775036.3604 844199.7842 750713.8215 902476.5041 1804571.318 1903542.281 1866065.148 1822593.351 1927637.879 1917280.22 3478728.809 2927251.351 3814977.682 3400539.784 3209328.629 3256402.919 5597175.896 5617982.233 5520266.918 5666282.869 7663124.004 7749592.499 7141381.573 7384021.543 4720026.955 4412422.364 5187172.47 4862656.588 2589391.441 2877919.729 2866879.221 2857849.767 5444983.242 5215287.042 5127835.846 5300247.123 3515505.656 3258775.996 3223635.018 2341653.368 2597950.575 2255311.441 2542047.334 2499269.437 2738967.175 8566239.196 8128836.336 8775687.654 9276379.998 di-n-Undecylamine 95009.34806 89326.90848 85404.49734 37279.45833 0 0 0 0 0 0 0 0 0 0 0 59273.18907 82214.39216 61028.58689 77726.66407 27007.93925 22920.75396 24854.00693 19330.87417 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120058.7274 69048.39942 71716.91906 125493.4047 0 0 0 0 0 0 0 0 0 0 0 0 0 80555.19308 67682.2219 60776.76748 84821.20815 Ajmaline 582507.7372 363308.2886 1228603.168 582832.8778 733663.0393 852890.055 1522075.583 709974.8165 1502780.649 196436.49 87156.91993 306339.1392 352345.3289 396703.5191 226291.8453 340240.2316 412596.0383 641172.994 575968.3642 447523.4313 432065.7012 213975.0627 243140.9392 295014.7625 502184.3203 187929.9332 521986.0559 259640.0653 285937.5211 435066.3922 392999.512 292777.231 380304.418 405715.2932 807560.753 610471.5398 236356.3628 170412.0997 559092.3751 0 20094.88758 258992.7253 200894.0703 327347.1071 332508.4398 354873.9736 0 703882.4356 1827740.096 754758.4474 41030.60582 44745.64995 292608.2161 15317.08387 398144.5618 764527.8422 746423.2382 890712.5934 1539690.199 1604502.49 1230288.519 919922.9094 521015.5816 170128.4224 29806.66537 762404.8408 319066.1065 300909.809 Docosahexaenoicacid 242275.1756 188254.6675 222314.4431 216707.01 167886.234 137478.4402 157310.745 150441.1122 135216.9437 179388.6884 152334.9355 231673.1441 247614.4072 220106.0006 244484.9651 305847.5629 286957.3779 290813.5055 329008.1584 377413.4617 330804.4111 516000.3394 319248.446 187907.0487 247644.9723 225839.819 160620.1596 202574.4859 152346.8697 229666.6795 258218.3111 258500.5785 242853.0678 276410.7026 239023.9132 508327.9369 627906.5387 691278.5448 513816.2839 717845.5613 564295.2003 460066.7832 656907.1974 334736.6748 395772.606 337117.5015 253123.3188 101656.6059 145535.4816 102424.0576 114761.1105 354978.8792 383627.6674 490049.8272 454365.7535 163050.4299 205973.5558 195669.7013 163724.2945 197011.9947 195135.6523 137088.15 195943.6024 173987.689 506405.7416 557550.5657 426265.2004 562147.5372 3',5'-Cyclic AMP 42170.43596 47069.0211 41488.4943 46706.53612 45790.08734 48192.11207 54211.61747 47142.51063 39208.95813 44694.98154 40599.04914 51006.1064 50066.50381 61058.4513 57444.51199 61324.04952 56123.60298 59415.25857 54519.15991 50854.50049 45829.08685 41429.88487 58827.42847 53947.74634 55977.80388 61729.23094 48503.18539 51615.7912 54354.61674 53830.89194 54152.09845 50545.20356 59794.23631 56473.85925 63096.73173 52211.73124 51859.31554 44952.18884 48733.82196 52798.29467 59089.46106 52507.34543 51594.18686 61691.97147 61203.1544 74836.00959 66434.9886 34278.71798 41379.03113 31595.20854 30567.12368 58379.87821 59598.94047 53070.55565 56206.19009 45597.98912 41225.96763 41593.72462 48405.13223 49830.36399 48323.41176 4300054.8 4233574.119 4534909.282 82316.85196 78620.45919 101507.6973 81765.41301 [FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid 267445.1177 196902.9903 238987.0753 216196.764 241568.5173 152415.3001 148515.0876 177820.9093 175849.6802 198527.5817 186615.9907 192288.6176 256603.1807 179421.6086 226481.9464 343214.5826 384009.7844 328634.3967 322430.9902 339634.3642 305299.0031 403176.1948 265332.8396 185401.5506 239558.4586 205549.4844 175624.7855 204867.9115 155264.0139 213024.2419 234853.7792 221834.311 240395.7005 229879.632 206780.5836 529624.0772 586961.5171 691867.6237 580626.6665 1037839.748 667192.9951 664305.5093 843225.0978 336590.3776 389696.9283 378203.4685 277330.1458 136286.3086 154732.8385 166861.7255 139394.4967 561188.129 537092.875 777132.0235 635653.649 179609.0061 257170.7337 191428.3452 188562.3412 190507.3541 188115.8447 148290.1278 227021.7539 175166.9484 524107.9663 530006.4051 414892.9083 560969.5058 dAMP 164939.7348 157188.5132 184802.8837 156970.5741 65226.01592 41091.28363 46474.12559 48253.15145 37576.23195 43898.19238 61500.72287 61293.07535 52034.12172 48590.34643 71822.71865 34914.61843 47560.87418 42581.25624 58087.33721 14345.89109 21433.61559 16423.35943 18434.34543 58484.45646 56650.87002 50332.82315 74827.40351 85227.56512 73426.77553 71171.78925 47301.55315 78480.64903 62902.55322 81023.33442 82423.19382 167653.6871 143886.9709 205190.7312 118116.0835 305428.8225 253666.1857 200886.9701 270958.1539 179372.4164 155519.7713 133962.6759 106225.4706 71577.24737 80271.17172 85120.222 80407.69582 144819.8735 143670.8043 230144.6581 180109.3528 119946.6431 137533.2101 125678.496 85518.74475 103285.6194 70119.58864 33460.59691 51199.91587 70372.04291 396123.8349 384820.5637 295205.8871 455233.0386 [FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid 278123.6281 272748.8666 303909.7343 286640.3295 193391.1029 169955.6576 150129.3993 174431.6749 194273.0114 230416.1688 242068.7826 258719.6813 248330.445 217464.5344 240543.8204 389528.4313 303860.9955 363692.5319 344536.8144 292498.189 259440.5482 335367.0504 229434.3772 200053.7427 212096.781 169346.963 178115.0431 199210.5277 180113.7425 223889.8929 254111.0017 249631.6589 221149.2569 239024.5429 232188.7081 520741.7261 625222.6388 652529.7949 523253.943 968236.7495 803006.8524 722056.2085 967237.0201 462252.7064 472588.2117 403953.4084 327358.9156 158350.2844 172825.421 147508.8902 153298.595 582189.0209 629149.2442 872260.1127 734139.5355 183741.4418 211599.9987 175509.1093 182599.1685 204012.8885 162747.1067 194720.1312 256739.6967 211947.4091 461541.4552 467988.934 415940.387 519139.1742 sn-glycero-3-Phospho-1-inositol 20062733.9 19567286.06 19138869.67 20687335.92 22020684.56 21354871.45 19335803.96 20938876.3 19901407.05 20258309.63 19205989.05 18493801.35 19584541.05 21669891.8 21185390.7 21187561.24 19288522.39 18974373.82 17794304.67 13707260.43 14642731.58 13149871.67 16907600.92 17635043.66 18109835.61 19607866.42 19267637.85 18413141.01 17675198.49 22184331.06 18742186.26 19634119.75 20405580.85 19043074.07 21259762.73 15653187.12 15079055.68 13862475.92 14927122.18 17127421.41 19429980.21 19111061.3 18855626.44 16769747.41 17634680.09 19002385.01 18477623.04 19174365.31 19556245.18 20124265.51 20751187.52 20180573.29 19874877.26 18363764.74 17744209.38 18672431.19 17964448.13 17871637.01 18589114.83 20673537.91 16649972.69 22493938.26 21230835.18 22565197.56 19124758.54 18375268.69 20232421.6 19838594.85 FA dimethyl(20:3) 61172.90891 56453.46303 67856.49104 60158.31697 21142.89036 44246.6616 0 28667.24599 24269.70897 49104.89449 41526.62069 40726.79505 52950.80898 54620.10254 51378.19004 90551.53535 86574.21685 90399.63185 101552.1787 73197.26445 60127.83551 65381.0622 43155.87702 19880.92231 18827.49907 23156.59259 37406.6967 41589.03382 41836.50794 56359.51734 60591.87958 57161.27481 52269.12744 48020.12762 51182.9555 86333.62365 93368.58155 103539.5273 75976.7394 132421.6931 112460.713 111242.2508 120407.5143 71252.98514 86004.01577 75762.74191 62786.11789 28194.99948 53052.43637 17928.74866 30065.51795 90454.25242 87941.26243 105713.1443 92453.03052 26941.70953 22085.25481 22226.82418 24260.6465 55270.07362 22764.43797 24214.29202 55349.66744 62234.41393 85006.92886 89684.45015 61513.9178 64394.26493 Glu-Ser-Thr 0 0 0 0 128383.4608 129044.7162 146699.7588 141955.6256 149762.862 163978.156 160103.8188 274611.3817 145499.4848 200392.9883 211265.2322 314358.1676 306131.9116 272292.1568 261283.0262 288834.9852 283000.0683 330037.6996 368368.7434 177405.9313 181683.081 196828.3767 86210.91149 94545.97124 81919.77215 182725.2614 199294.0324 161306.1252 231922.6957 174215.807 206679.5564 258920.4194 307306.1808 244876.1716 300341.5272 68199.86915 87896.68368 92452.39264 57633.51401 134158.8215 130535.6954 143975.6353 173097.12 59507.84378 121299.7877 101657.7393 102742.4127 105617.8954 92860.89885 65178.88842 96189.31213 94644.79152 76956.6343 92581.87822 136384.487 116663.5793 123636.9126 141669.7288 97703.37604 108255.0142 66967.78377 0 51295.11346 64596.40362 N4-(Acetyl-beta-D-glucosaminyl)asparagine 311260.7773 289259.2485 352257.5634 346989.5027 233446.6921 223412.7659 230945.5599 239145.3266 184647.6765 198890.0065 222052.2543 246413.143 250646.1503 227739.1934 242517.6793 244995.0377 245382.6078 238148.1316 270068.6408 188420.9407 156360.9189 157001.0568 195035.6627 239111.3461 229827.239 211876.4455 228260.2623 241116.3648 228139.8345 253040.0446 264646.4823 259588.0569 238146.3274 223356.9636 234773.4229 274166.6132 223808.5465 244174.2692 233752.6107 340555.8533 373625.133 356068.6429 355549.6201 380275.7333 328091.2135 328327.902 335690.8427 290321.5198 339609.7356 319542.3389 287070.0771 375367.4741 365399.9877 345884.0467 342042.5376 246413.143 223878.8315 243346.5462 218716.0397 229528.9779 197700.6485 264551.986 278417.3002 346297.2162 328626.9493 290446.7378 315129.1188 317305.581 [FA (22:1)] 13Z-docosenoic acid 101232.0019 97201.64379 103416.1518 81074.02474 213520.7822 203435.3605 131149.1187 76632.13608 117843.8781 70550.95152 109526.6456 89357.4536 68855.83967 53676.89543 60621.72358 103666.3298 118582.9634 69525.78704 102970.7766 80721.36797 51936.93251 102952.3207 54701.80986 75762.04687 83652.24539 68137.03731 54398.52907 53124.65452 133920.7301 49828.43489 131816.1699 81616.04579 59102.00792 87798.7377 88105.20662 77675.18782 76315.68234 119879.9018 62238.84146 115476.7186 71390.17515 82330.18667 118092.8585 68195.49499 69450.00883 46650.36714 71834.13444 92041.99281 131095.9347 80382.2393 89214.72866 52069.06248 71563.28925 79946.76153 65980.18214 55406.84787 52522.91886 276813.399 109418.5434 28074.53508 114648.9625 54121.03138 134197.0762 95210.95246 58248.53173 82569.13004 65507.52193 78717.86244 D-Fructose 1,6-bisphosphate 501835.2208 546327.7081 619020.7077 584944.5473 685062.2346 419614.908 403137.8112 581142.3292 2994762.682 3440397.82 3666815.522 309395.7716 293666.6176 262456.7469 330202.8529 976769.5801 1418233.218 1018519.596 1326436.957 278354.3943 300463.5261 208690.9386 336086.7768 316247.5388 392730.7935 277511.2779 1159920.203 1553020.376 1154115.569 297307.7392 262675.6035 476234.0111 225553.9928 353847.8192 278935.5431 325609.2932 212697.9527 322907.4836 215870.7332 275010.1284 220331.4483 211039.2653 272205.7528 275987.5799 253766.2784 221756.1046 211448.9213 477906.4959 444359.192 469663.8612 470012.0048 827526.8574 808685.4563 1103718.625 990693.2634 1315364.297 1656573.034 1375229.084 1367459.146 1790480.706 1288765.223 527640.6374 1042441.265 987484.3719 254642.7007 306348.0908 202591.8888 269969.8671 Docosanoic acid 132570.426 108319.3147 159319.9616 120871.3483 185971.8631 125884.285 118635.069 160013.2779 141987.2652 177829.7029 183276.8427 121414.9151 157818.9684 112607.8766 157354.4303 153190.5989 152364.4163 165621.0757 167196.082 156100.0593 172455.7838 150151.168 154030.2667 120332.0611 130496.4402 144076.4916 127941.3724 125309.6527 118109.3516 88433.79113 108376.2974 112867.7096 129720.5796 128005.2037 130128.8936 111116.9302 95414.42644 145361.5332 99963.07655 113171.5971 122682.1538 106175.2586 113630.6246 88957.59103 107190.8657 96344.7256 85023.34698 133478.5361 183659.9242 157612.2612 159655.2517 103725.0388 112387.437 110674.0312 109657.1629 99418.74956 91405.09613 98879.24596 117819.2621 117842.0954 111233.8307 113131.5171 189686.6126 179540.5623 136579.5053 149486.7707 132214.3764 169244.4102 1-O-Octadec-9-enyl glycerol 120226.0904 112163.1709 132272.5325 137306.9929 135036.0935 132461.8164 163478.1271 152105.8619 155392.8491 162587.8934 187405.085 120137.8257 150096.017 145430.5012 145926.5317 79487.50523 77447.84662 83977.58996 85437.21692 103769.4441 87401.18584 129956.4184 84684.36102 117053.652 116121.9866 100450.2278 116058.8471 118533.946 104845.7651 98724.63852 109847.5403 76832.09009 116400.6984 101847.602 127926.3164 92276.65038 103994.3792 100945.4085 109883.4538 97497.88837 93262.48469 119350.5789 88824.57699 95463.02711 92513.68224 120977.401 101742.3653 133015.1161 134865.2551 138688.6301 127575.677 102487.4548 111933.5462 119735.2025 90943.96882 128279.536 139515.5584 121485.9861 111712.1691 133649.5673 139159.1736 212619.4813 166323.1888 178898.7709 118236.1238 118055.7326 125302.8556 136294.2321 1-O-Octadecyl-sn-glycerol 216310.8259 226051.4354 233782.8617 256376.3794 245995.5524 233538.9532 235787.0904 239981.0172 293132.4407 271313.2826 291508.9132 199266.849 216746.8409 222043.0459 239466.0846 146302.9695 138832.593 115590.0499 108540.366 196978.9753 165054.5782 228119.2732 207597.2814 199058.278 192463.255 212204.4222 212873.3882 195777.2739 200843.3796 204688.1756 227757.8761 168151.7988 219977.413 194609.4811 214918.5088 193215.516 206554.4904 227631.9882 220422.4273 178675.2954 186675.2925 211290.0151 178081.3994 160719.6402 181331.167 217563.2763 205320.5019 271411.8269 247812.0976 268507.0675 217169.9443 189184.3202 221436.8515 177675.2572 191053.6422 174844.4086 177290.4656 197307.0182 182654.0403 188603.8196 227909.7641 367905.3194 269528.269 344474.1218 243730.6098 241841.6759 266553.9971 254195.7159 AMP 27849639.75 28672854.82 24394215.02 30250349.7 10673781.6 8897664.889 9779277.909 10855671.49 9195345.62 11807700.47 11868869.64 18271875.74 16285353.13 16039968.93 18839865.3 10073659.17 12494589.4 11441833.46 10621406.67 4296042.149 5110629.38 3774609.911 5002426.231 11861666.27 12019083.72 10489861.79 12443682.78 13541181.52 13052454.27 18388081.89 15286180.28 19634119.75 19505334.63 19815090.58 19411087.71 27642862.37 25610459.64 26076111.1 26201059.11 41551277.94 42609605.73 42469025.12 37381609.06 27475434.37 26650907.5 26811584.34 26822356.02 13876185.42 14699138.54 15615550.29 15009354.08 29932907.75 30618054.15 31575978.31 29221876.41 19379720.25 18299189.4 17184266.35 12917026.74 13867963.32 13353096.91 11387622.85 16291416.39 15476131.07 40951928.61 42488539.51 37635133.88 43351003.55 dGMP 1863409.548 1942806.167 2055865.808 1845428.316 1526347.283 1123611.099 947040.8582 1341401.266 1006771.977 1380432.474 1280687.989 1784721.367 1985842.103 1578644.182 2184063.403 1287390.062 1584831.68 1416649.276 1567710.485 839031.8251 891460.7006 713445.9509 848867.2386 1327247.895 1414135.343 1354892.125 1576459.814 2043977.585 1464436.989 1513247.051 1173260.444 2054749.792 1269833.67 1911288.795 1620810.226 1180336.797 965905.1424 1298520.715 737107.6088 1551000.815 1517315.703 1269822.358 1821341.27 1844073.67 1971994.786 1805116.271 1478230.425 1797318.173 1521057.589 1550535.894 1607227.196 1487558.336 1521657.935 1970455.744 1762007.577 1212027.862 1263105.593 1176227.804 1005357.518 1331312.361 1050862.721 970467.6622 1518668.179 1537493.589 1438338.92 1700039.557 1179397.552 1536860.812 2-(alpha-D-Mannosyl)-3-phosphoglycerate 737568.4507 1100227.689 889362.5853 1015759.843 259388.7894 178764.8116 197399.1988 232569.8792 369417.1968 362370.3327 309050.8328 1040575.463 747165.1577 602828.0411 848588.769 358324.3635 346314.145 311872.0808 506591.5688 327173.9925 363485.6827 264956.9373 326081.8497 484208.93 532232.5879 277768.3833 329593.8312 583284.6923 469552.2701 461914.9566 249024.2968 605460.9871 500471.5802 595592.9966 511887.0283 664762.4961 347470.4723 528094.5698 356310.9255 642669.4781 467229.8793 437168.6379 622002.6968 716069.5244 550117.5745 432421.3971 452646.9556 292012.8113 412021.8062 406405.8306 632762.3219 563410.8285 522984.0286 889635.5372 764634.3446 307386.4774 306090.1715 276375.9091 251628.6242 295025.8118 250642.8432 298252.0822 1097700.255 916184.5256 695714.4116 562690.4323 1187127.875 761043.9162 IMP 659007.1592 647502.3827 679339.1302 689711.1446 150589.6443 124369.4623 113912.2936 136355.6458 468114.9927 522165.0574 547970.4705 163728.1316 172487.0394 167862.3911 183431.4237 366907.7669 431578.004 389611.9199 430234.5176 102128.0163 103319.8054 94678.99188 116224.0603 136123.3635 131969.0317 108832.0726 192985.5419 226667.848 183144.5009 217769.3495 175304.0962 232155.9614 198582.8741 199339.1411 185401.1805 258855.2672 225154.3485 255832.5084 197931.3311 422991.5294 391625.2059 396873.5374 457852.9311 341588.9227 326965.1173 357830.8536 305817.0247 175996.4822 201273.2669 176698.6631 182260.1637 380408.3629 418215.4932 429092.4693 397194.521 307386.4774 306090.1715 276375.9091 251628.6242 295025.8118 250642.8432 284216.5402 333825.5284 372202.3564 1256991.775 1216927.358 1187127.875 1356580.796 nonulose 9-phosphate 832654.0718 850303.8018 872734.5157 876608.722 833619.0374 698095.214 629008.5971 742319.9628 560010.2216 617975.3942 595098.9195 729237.2184 690866.3585 697983.5634 807059.2557 491970.3902 530110.1408 468141.3944 560659.3566 501172.838 493287.072 414731.4763 536510.717 599995.8176 667741.1078 585434.4825 656533.1564 768022.0523 676984.6323 664211.9956 493317.147 777565.2804 613895.6638 650695.8362 666973.4227 692160.7775 566527.8259 667843.2507 537085.9023 827447.4255 790280.7835 774049.8249 855668.0806 770625.0599 752438.0713 715936.6561 706225.23 809390.5896 830890.9344 867464.5063 889419.0658 793834.4127 794648.4885 880964.1129 842266.2501 695022.8557 675187.9947 619227.7778 587205.3521 692320.5097 593797.2501 600506.9387 766504.3709 780108.5839 865369.0792 946598.2097 855409.9838 984405.542 N-(11Z,14Z-eicosadienoyl)-ethanolamine 0 0 0 0 167201.8438 224790.6941 309659.3227 118596.0346 0 0 0 76311.54464 0 0 0 78207.56553 201148.8939 0 170663.9778 197296.0711 102941.5411 106354.105 0 150779.6889 131931.3071 81058.01078 0 0 88591.01947 0 129112.4475 0 0 68483.44066 87975.17653 0 0 0 0 87772.02836 0 0 84528.65874 0 0 0 0 0 0 0 0 0 0 0 0 490461.1115 665876.6084 452477.4567 184692.8644 0 241527.8248 0 124528.3399 112959.1028 0 0 0 0 (S)-N-Methylcanadine 0 0 0 0 59814.1089 0 0 50205.06754 15667.76483 30626.98956 28547.61345 77943.10249 84320.75014 89293.04146 146617.2085 13640.74446 41328.70355 33641.10219 45248.67418 101513.7354 92864.27993 78438.26356 81585.19594 54675.48712 97397.20075 39432.89435 43039.57996 77613.1805 54954.38027 42101.81664 16092.77942 95360.54434 42681.34994 81483.68277 52020.61381 81297.52422 43268.45645 108670.3228 29234.68131 26612.37605 14740.81973 0 32205.98993 65544.35771 71883.48901 28832.47395 30883.88529 20314.80608 0 27037.72694 17232.14442 23641.21686 14472.37805 54590.26324 47628.81902 0 16894.31886 0 0 0 0 0 18682.01283 21089.40923 0 0 0 0 N-(11Z-eicosaenoyl)-ethanolamine 0 0 0 0 225702.0251 190522.8372 367603.5806 110251.064 86280.3407 0 0 0 0 0 0 0 96287.28981 0 100398.8789 278996.7169 187885.1622 96547.91024 0 116318.1697 205592.429 176896.5997 0 0 97205.92965 0 136464.6329 0 0 75905.07266 163522.0936 0 0 78816.67747 0 0 0 0 62697.72899 109478.3177 0 0 0 0 0 0 0 0 0 0 0 830355.5887 1116341.701 836890.0106 164410.458 0 191198.0537 98611.18005 140021.0409 108671.1303 0 80188.66501 0 0 Phenolsulfonphthalein 796109.4928 954307.6203 821026.379 856177.5992 2047142.603 3646607.541 2371432.045 1198209.607 3788738.426 2437843.596 2441100.9 2745610.277 2769216.199 6397862.407 2366634.749 2806965.566 915306.179 2314244.067 1155333.423 4438590.271 5186596.352 2672707.956 9128650.442 2803302.492 1879921.533 5564079.919 2913252.793 937835.3645 1632512.944 2461120.938 4827969.9 1282559.442 5772283.072 1689984.363 3156414.731 7545523.935 11967504.51 4203344.53 10552796.97 1982519.189 3239526.513 3594647.63 1986593.365 3284758.926 2378810.779 7102676.98 6635357.646 988957.8375 1376471.27 804696.9359 916304.7601 3679737.321 3668468.586 1337644.957 1222693.606 1594046.001 740144.3288 1250500.523 2489299.736 1463723.241 3379949.762 2645342.283 900292.5374 1114886.379 561925.6172 370088.7983 1355486.56 558619.413 deacetylcolchicine 81736.93919 73321.65403 64134.06301 90371.70758 57605.3543 97415.53995 102868.5641 66455.33914 85465.19434 65697.50369 52650.33943 46467.22186 47502.90428 91337.12504 44471.80587 83690.03092 86442.30983 77060.00345 52659.40074 59434.29904 53595.02932 62097.25905 89453.65271 63697.58662 44530.71154 80664.62007 32905.38732 30192.71791 28743.42585 62392.32818 74570.90973 29910.77627 95752.65477 50927.84875 68509.23787 61914.81435 110939.6643 48356.31026 134830.628 34057.02602 50573.02591 54871.27133 23782.14816 40209.73906 46688.63905 91380.01697 82402.77137 69511.08862 119240.4603 116645.7808 92019.45218 41582.63628 51206.51336 24873.09291 27877.25731 69924.28185 71567.77494 64851.69742 77901.41321 69753.97454 79551.98438 112327.3213 43629.74543 52973.8099 81864.78268 49448.79158 119769.9891 75863.86875 Trypanothione disulfide 6447256.188 6684153.92 7216245.704 6088766.48 7295956.674 3318477.005 4642988.725 6973518.825 6295156.317 7424110.771 7479577.139 7084601.723 5510773.271 3816728.665 5634951.504 3676789.059 6402408.78 3881113.055 6050391.198 3813376.267 3410569.036 3790145.216 2714227.607 4679819.933 5719851.084 2898585.117 5075043.124 8167696.788 7014314.599 4889019.358 2990565.713 8662111.655 3403802.427 6832412.218 5014810.026 3548309.418 2701339.823 5312778.63 2044140.34 6704803.302 4237149.757 3992475.228 7515879.071 9133523.142 7491424.248 4359038.77 3504420.163 6439154.701 6812718.384 6799470.814 6201422.379 5222144.813 4112324.551 8787940.22 7915632.437 3796999.982 4415251.292 3778546.598 3351385.815 4554282.492 3607447.154 2319001.1 6117455.45 6234474.033 5939023.304 8538693.631 3758731.887 7763177.399 GMP 1687012.655 1579162.201 1722536.901 1779501.46 808171.4439 690238.3152 607655.7847 738372.4639 795368.2293 873152.3904 873169.6759 1271250.959 1261204.169 1274059.379 1394193.065 668417.3973 776271.7569 731559.5452 810233.144 498036.4814 494234.9488 414899.7908 536368.5329 906183.9351 1021995.48 883479.9092 828280.1259 974372.2843 896153.4679 1102449.961 874999.5685 1241859.338 1067839.331 1197181.237 1131791.56 1536261.131 1340989.397 1497293.353 1205687.113 2273681.321 2244696.755 2193121.526 2424689.011 1587779.898 1545910.585 1505383.42 1408677.635 917956.9708 923688.9926 984486.3542 974508.5043 1755746.568 1819814.532 2001074.898 1879965.837 1113600.986 1138965.19 1075381.679 636082.0894 730798.8111 673005.6693 608769.5027 734496.1789 791247.654 1497143.525 1572994.554 1380262.964 1601792.028 Xanthosine 5'-phosphate 45501.19905 41804.37982 46093.71433 55454.51339 36057.88308 40774.82022 35451.58769 39212.54007 53562.43188 55261.95098 63870.26514 32278.63876 29993.72298 27533.95979 23804.43462 41859.25252 40607.18676 32693.91802 49382.82719 26651.36516 25469.63257 25534.21149 35107.46954 30848.12103 42550.22426 30586.09208 53541.61075 57892.60349 51733.19219 32297.47952 20086.00324 36758.83253 25246.21529 25817.26099 30711.35298 17654.25365 17304.36405 16601.1069 8896.108407 26671.70758 25408.1545 29110.80593 27135.33144 29945.26688 26541.71108 22810.38142 31776.59303 34014.70909 47874.41518 44531.8019 39451.40488 33326.71713 36199.84796 42952.35045 46178.54736 18113.9063 20570.98207 20547.35751 8357.715498 19722.19829 21047.59285 43071.52828 67940.54789 70189.91755 67764.3821 70291.17703 48882.15069 55252.54241 [FA (24:0)] 15Z-tetracosenoic acid 76904.07624 91678.464 88870.01028 87169.75991 76378.60767 49827.19066 54292.04088 94040.13633 118347.4244 96003.21591 127883.8586 81825.25195 103252.0015 76351.81229 94652.7376 93553.29044 110239.9575 84728.95936 108265.6276 84769.34463 90361.70684 90018.90399 62883.96821 63827.19238 82974.90936 98275.84747 75970.22783 79653.25758 64061.1439 67818.91158 58913.59822 58914.48396 60857.09535 77120.06046 73400.00331 72263.33775 60945.98459 74133.52126 61259.1379 74734.61886 61949.06272 53995.26474 89132.96907 61725.19279 80652.90442 73125.29668 70578.91454 87381.83497 83868.29158 84900.22454 87474.25114 63879.85766 65631.62038 91782.23251 75432.06568 54535.42906 57359.63818 53879.1943 56709.73154 56541.14308 56756.0854 91122.0584 133482.8644 129834.2168 78777.716 109725.9595 68190.63903 102455.8519 [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 253893.8117 227694.2823 256995.6045 234479.0295 398290.2372 435724.7972 607162.7958 591221.626 313919.2063 279694.2537 277796.997 226052.6698 182684.5354 201815.6559 296009.3486 236612.3912 300551.174 305228.0107 273391.128 317693.2571 292629.2895 618396.5061 224705.4596 265693.5009 240892.4602 265369.3138 246413.143 275424.9005 263599.6392 231836.6956 429642.48 256612.6216 275473.9348 253202.2777 210342.2799 143255.9339 148480.1179 199614.4243 153281.7201 140352.534 178930.4996 126647.5579 105919.6067 130961.7492 185530.8395 93115.66235 157490.0246 279117.525 212948.8365 214164.2481 222422.2582 191923.1812 199838.7686 133342.0306 144023.8293 621760.6612 473789.4803 460577.7762 496412.8719 423881.8027 379611.2411 311197.0842 444401.459 425500.3108 242728.4114 278162.1833 250609.9336 230602.8708 Tetracosanoic acid 127164.5241 123705.607 136359.7401 131150.5893 200271.5452 132824.5669 138308.0305 131701.4864 159755.8297 128462.0021 188419.6374 119864.5451 139602.4497 118077.5077 160834.2253 160436.2533 121100.3058 129798.2744 155855.6721 183316.0891 123705.8022 183075.8201 191469.7622 121569.0728 102795.5547 122615.3732 120763.4953 153094.8899 142224.1362 102753.3245 123059.7224 106559.3464 128333.3565 137814.1828 138666.7664 132533.1885 125789.9163 161926.295 126535.3317 177677.7479 124025.8211 137699.6966 151981.9428 138001.7561 112660.2269 120294.1164 96125.74181 124862.6207 137886.3974 119121.3645 137361.1826 128565.173 149429.1471 147649.2518 144956.5032 96321.69654 109932.2234 94082.7628 98402.55043 99394.22313 101144.8986 141529.9606 171612.6727 145277.6405 156810.4499 227338.8542 117388.5344 170170.2113 Corydaline 434322.833 644943.5 957877.4836 719688.9362 897319.9977 461440.5285 695443.0909 1135237.977 501254.0765 1004091.902 1617113.662 2677575.65 2234093.71 1559279.239 2307818.619 1326245.027 3080517.199 1544463.614 2768175.662 2127075.847 2790467.557 2653651.024 2381322.046 1698923.76 2427717.261 1028787.806 839160.2575 1464061.799 1920845.171 1603746.665 1549365.695 2350515.429 1113721.692 2061812.072 1421713.125 1486089.856 1621302.909 1686207.144 1066062.202 656561.2665 400178.5515 324448.7118 783086.9398 1476224.394 1520446.869 1083414.23 765739.3347 498880.7706 405527.6629 718654.4978 486470.9515 611524.2964 604100.1172 1258646.223 926743.1163 555381.9808 1002468.16 672530.2788 565276.151 1168286.827 474564.4695 221415.1673 906475.6932 1060530.837 530146.297 962361.9189 190734.3456 750540.5398 D-Sedoheptulose 1,7-bisphosphate 62559.04257 62647.99312 72688.97597 70383.85763 60318.57805 37886.79524 29673.36982 48361.18349 63250.21041 69357.62403 80584.28048 43548.2325 35626.53795 35444.42674 47195.3108 66052.05498 90988.43081 64730.81707 96022.52736 26939.93198 33577.70137 24118.15962 30999.64902 34368.5691 49703.28575 35619.21332 53856.08578 77981.67839 59799.54449 36906.56717 23725.86786 53003.66987 25691.73167 32764.1933 28995.1385 23791.52395 13844.43813 21925.96796 13542.74641 28295.17641 27623.74082 19168.34031 32529.60744 39295.44215 38331.35812 29198.45391 32505.88986 77251.9042 73034.5871 70093.70856 72819.46472 33347.49213 40169.30914 50576.30052 37940.43278 29102.65997 32625.81499 29001.41913 35447.4088 52073.17401 33288.43605 33902.63376 83454.86561 79274.99932 29922.75418 33993.17707 21515.93796 29665.04057 Kievitone hydrate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 39865.65801 0 0 0 21955.35078 0 26501.43718 0 17091.08326 0 0 0 0 0 0 0 0 0 0 0 302244.2574 224996.5083 210750.4543 152998.648 99178.72658 66987.35121 56931.04496 68854.72352 193145.0043 129660.0005 146706.6587 130944.146 0 0 0 0 96351.55575 119341.8647 110929.6959 118179.8666 0 0 0 0 0 0 0 0 0 21207.97434 38621.45588 0 33083.46876 Met-Met-Pro 0 0 0 0 122715.9592 151071.9324 126162.0661 138653.4518 105696.4867 122127.8437 118440.8831 145821.7627 139476.4488 169177.5557 133087.8894 112930.713 114082.6172 120139.2141 104357.8961 230709.1985 253248.9682 176727.991 237529.8386 180067.3927 171044.6438 173126.2192 113672.7834 111991.2805 111780.1364 147961.981 134840.2063 132408.4072 185026.186 177489.2777 179520.5706 206416.8301 239862.9164 189144.7436 259486.6183 55141.4644 65441.79429 58534.49432 65664.90965 153744.3564 124759.0014 172676.446 173638.0025 48240.30567 71357.7669 58765.14917 51896.21108 82553.28491 101208.1039 79992.17852 72222.73023 87276.24858 92146.39984 91712.20399 134578.1963 122007.0388 108720.2791 68484.18896 68614.05145 61818.56701 18532.2337 26849.06825 0 19067.43297 S-Adenosyl-L-homocysteine 286330.5974 298478.9396 279979.529 306996.4973 203711.2253 124624.3219 136509.6894 173394.4407 112072.8314 153444.2873 175658.394 261551.1285 232873.7716 195429.2122 272891.5239 117812.9561 189835.092 156341.57 171498.8833 114159.9335 139612.0569 121134.8899 127600.2522 189698.518 228185.6036 154625.4967 201513.8237 271643.8257 239178.2084 238708.9446 169751.6301 279037.588 213144.8725 282645.1648 251725.6284 233667.6343 184892.9519 272276.6224 182511.9807 410888.2316 380127.3233 301839.1193 339951.9459 248176.1423 317831.1113 220362.5285 198728 220145.708 208884.7245 228384.3132 230155.0818 285220.5093 278257.4133 349239.4868 308371.0038 222856.7704 239689.0452 194483.1922 192116.9165 199961.8461 188865.5909 124411.3979 249593.7876 246003.2596 377653.1119 461663.8967 283030.1785 433433.603 dCDP 87255.85861 84910.85143 93940.23586 85163.24994 66326.19372 78551.14829 57612.14232 63007.95297 17023.07874 32726.79501 21970.0743 41775.4716 43559.48082 49996.28772 66005.11223 27591.40215 14931.71153 31973.26129 30613.70724 11679.39578 10891.20908 0 13839.22207 54650.2614 71247.75028 50904.99146 62373.45031 70081.93379 60967.19813 45774.6738 44494.46214 42552.82935 51981.85159 44338.59396 66065.11438 41455.60637 40606.74787 43573.98984 36602.59472 55357.31527 68140.51806 54861.2658 66583.5858 59884.71419 65366.30211 72470.41194 61859.7105 67509.92193 86487.74397 82855.60638 92338.40095 56654.1269 54544.22538 56886.2452 57870.64764 95853.96849 77403.62721 68036.6562 42131.69929 48773.91491 42251.33658 38991.2944 39358.23814 36421.8069 72854.42456 62214.79497 53579.77765 63527.91217 [ST hydrox] 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic Acid 88227.94073 95820.99075 116545.7767 66801.57737 190251.8632 139135.9324 111573.5916 137580.3871 94508.94183 157115.2377 56030.91468 49692.05247 92529.73954 77363.16519 77118.75302 92145.09176 101667.449 95925.32978 81305.23537 51836.6575 73550.40196 37964.33976 86486.70581 87813.73434 76362.06582 110572.113 84080.44825 101027.0096 78987.19754 79542.22672 97754.04289 79704.59523 115805.3286 71029.74146 53251.33218 57232.34921 66821.9919 46230.42209 30522.45818 62183.74838 120280.348 80987.99544 92945.68097 52815.55093 71280.87579 82780.3294 57610.02019 159026.4067 45522.62292 87566.69831 95843.99646 100201.3592 98724.98642 49852.03883 66265.43865 127923.3275 119080.9115 98698.01638 104232.4224 159708.8487 142099.7633 68679.92324 70046.79433 83614.08837 72239.91015 34236.53251 101804.242 70677.71363 Lys-Ser-Tyr 0 0 0 0 96402.20278 104854.1385 92203.85188 94190.70486 177957.7118 186706.5324 193584.1636 44757.96117 46428.38137 58522.10217 54344.53487 0 0 7978.818423 0 0 0 0 0 9290.936725 9651.212729 12062.46617 9420.063665 8559.932486 10342.80332 0 7550.331999 8487.348197 0 18568.0661 9795.410628 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 62025.27209 50763.23893 67173.56568 55005.55991 48458.57023 62656.48323 101886.0238 89437.60799 91344.97748 0 0 0 0 S-Adenosyl-L-methionine 2341402.58 1989132.806 3045113.389 2715726.852 1940067.866 1585913.163 1617108.304 1961934.856 10268341.89 12154985.78 11868869.64 1947264.867 1815457.825 1949746.788 2227443.138 5272896.468 6343234.404 4656776.16 6528220.695 2042453.623 2081257.855 1769757.599 1927682.368 2109701.792 2180603.479 1554227.984 1179762.232 2255291.842 1754925.024 2217101.453 1852744.699 2741492.29 1921339.416 2439122.277 2242927.065 1991903.24 1669686.931 2087033.154 1256341.869 2918434.843 2748417.287 2467788.121 2909720.498 3325034.02 3986700.966 2539036.863 3090263.615 2057547.739 2340470.653 2917472.23 2268802.63 2268548.454 2543662.262 3473919.739 3187814.498 1620438.669 1629874.349 1558062.031 1385410.518 1617079.641 1645537.41 1582678.137 2174394.548 2767878.584 2570827.217 2666804.965 1597846.299 2365454.168 dTDP 516841.6763 513884.3365 586684.5481 565609.3289 252338.2638 271855.0598 239014.1503 257436.8528 355747.1988 329327.5103 381563.9616 417447.7709 412522.5605 393264.9508 447626.262 334174.1217 321269.9607 326750.2186 323876.5835 182633.6245 177190.0921 125415.291 208603.2108 279064.3969 290469.8355 251423.0837 306181.6756 332948.7263 316096.1684 344841.3386 310314.2989 406160.2799 404140.9685 374286.9565 351231.2113 593554.9094 487818.8578 581472.2776 482731.5289 753712.6762 696868.0999 628219.3215 845886.0651 708320.3945 585267.3536 694344.7894 583360.6318 321120.239 377827.5357 376086.4389 370193.6302 644301.4339 639839.108 620758.3546 657927.2905 305034.8738 308757.3969 302105.9111 267661.2517 281198.9587 245225.9652 284096.0004 320422.1555 341941.9334 625304.7682 591108.4428 553296.8647 574207.6923 CDP 219609.0386 247971.0489 232174.2211 251587.1574 463563.6271 351466.4054 321168.7904 384605.2589 287733.4613 340150.1866 338039.2656 295456.2076 267665.9018 289465.2396 326988.8919 192909.2172 241755.5896 192987.9152 232305.2941 192999.8299 209496.6438 162826.3034 208086.1443 417361.1254 457125.0393 405227.0166 430769.5021 520339.513 460781.2078 329263.1484 265339.615 417821.6477 283572.5638 335810.6452 371019.111 155182.9677 129956.3189 138451.6786 112807.6932 189493.8566 198925.8916 164689.4878 205686.5763 306379.7758 332474.5668 323449.1861 296179.3238 492334.0494 462834.3315 536631.9253 542995.8704 264461.3437 250258.5624 298090.5687 264701.4285 416572.3474 403685.6623 389785.4725 281183.816 337090.7433 278884.084 211797.968 242525.4088 249750.4647 197044.794 195990.1292 163580.2782 193510.0943 6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate 86238.46501 83279.03088 89275.01998 99376.35541 86251.1044 67591.7872 74460.44917 90743.87278 50931.69821 63465.00631 51120.24573 56448.10395 66317.33503 64387.01871 64803.33784 72705.87215 84071.97401 74318.97666 81981.85973 45822.94968 54251.42052 52339.77551 54452.26333 67682.94739 74675.16864 54549.15646 57259.85482 71145.45277 70235.42498 75824.19177 62434.73143 88023.49893 69194.12549 77723.19166 79835.52721 67632.17608 54998.02265 55902.26143 50399.31803 87038.82665 83472.43066 69319.75002 66182.80069 79683.09368 73109.17386 68447.73374 78976.57046 89535.32434 92900.04344 88916.96745 95254.74237 67295.77725 76306.02416 74469.76773 80230.85604 62520.8607 67134.67602 61143.07497 64586.79029 77304.35025 59487.62591 59045.4704 74423.26426 75794.86675 98183.3613 98800.76503 85610.92094 84563.50302 UDP 4715621.929 4504586.376 5092727.325 5132534.385 4185971.067 3258990.752 2963171.039 4029943.696 3016348.701 3218417.971 2962710.746 4352655.221 4269921.318 4280015.018 4573507.819 3494473.572 3935330.628 3537153.902 3956927.462 2229965.458 2250722.469 1968363.341 2504456.168 3590899.55 3995970.554 3405540.375 3647389.685 4211375.874 3783366.04 4527390.442 3536401.98 4899170.526 3797350.311 4447223.873 4453961.598 3077293.569 2747891.022 3208834.324 2250935.355 3710970.747 3956711.512 3429326.996 4163234.303 4600740.149 4835028.853 4409282.182 4085690.793 4153421.082 4698492.397 4808662.453 5204048.786 3931513.388 4053251.85 4274050.484 3961513.149 3745823.375 3829315.432 3690911.307 3092972.333 3840257.656 3253481.181 2804760.153 4057477.339 4364447.686 4333745.9 4771067.816 4045776.892 4841002.893 Glu-Glu-Glu 341690.1159 296869.1186 343911.7612 357593.409 392415.5705 233166.8088 278957.4265 348602.9507 405926.6871 561513.6041 590487.6613 406034.2752 428778.2999 370722.4873 540915.7516 295854.1968 444257.035 334803.3327 419244.5085 210792.7595 216037.4765 190709.174 254096.4452 317845.1241 344353.6769 277706.2076 340126.2107 479262.5807 386788.1815 335646.4821 218841.9 534017.018 240744.4755 290554.072 291616.6413 245397.5852 158216.1876 246413.143 163815.3153 336937.2055 268428.6564 219982.5203 362828.3204 343192.6467 289904.2999 236474.2489 246413.143 354171.1839 318006.4556 414856.5787 358924.0545 359001.8378 324208.2638 367377.0378 359305.4806 192581.439 252973.1827 234858.5283 213283.4918 265844.162 210619.4511 225515.1584 471458.4795 377273.4414 310300.4091 367864.9809 250965.0842 311156.736 [PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate 33674.53877 34892.00293 30760.44149 34694.5286 164979.8973 149345.2422 148964.0567 141925.7317 79292.67047 79540.59903 72787.46154 53194.20629 65488.97892 64986.26442 60100.34071 39371.22724 34126.74413 39117.84454 43017.2951 62322.3847 81548.92531 80404.39408 69216.16538 50318.44469 60327.54606 56148.04573 60966.67206 55289.42441 43499.46723 64536.90775 57125.36436 43822.27703 50889.61733 42218.57093 37653.58579 36703.45188 51788.59973 39598.59472 44396.59287 33957.92711 33852.15111 38351.94812 34056.03345 26256.32602 30134.53113 36351.8686 35569.82307 34224.51412 36237.59052 38686.18989 37048.14931 44994.25603 30713.9433 31196.07982 30385.89438 183543.622 165796.1652 138944.1696 110415.2273 139431.5669 107884.9876 94564.04557 101020.3217 105435.6516 31804.26963 25013.92155 33793.05185 11293.06612 dADP 302947.3106 329216.6517 380349.8846 364916.4638 200065.6571 151692.9819 163987.7458 184660.6608 78768.17816 79550.99046 86885.69771 209213.0003 200175.0463 184114.5942 206528.0038 121355.2014 129702.8551 113934.9395 137081.6892 123815.4212 105927.5481 105841.5315 134803.0541 183469.5521 218763.0836 169397.9312 227317.6408 265342.6759 226908.2782 181714.1579 151374.8687 219973.8518 204081.292 220704.6178 213210.9758 217330.7911 166038.3543 230655.3209 153080.6497 262501.9745 222015.4865 224900.7984 270761.542 255651.5473 279412.4111 235860.4539 230098.3751 207841.3422 207909.5085 234879.9216 220163.9768 232497.5998 231653.5958 270539.9026 246413.143 225960.62 225390.2232 187003.8048 174788.2065 210367.032 179102.4912 122901.6476 158595.9636 159709.242 290996.1935 317735.4847 241957.3899 322469.9014 Thiamin diphosphate 112532.0834 126016.2586 123436.5787 130657.4812 118468.6836 121297.659 88383.06282 120253.3087 109234.3516 122206.5707 96288.87712 77865.38229 79613.40782 87474.20458 96883.42804 132000.4127 135170.8729 124304.6746 119780.3165 41908.51558 58811.87751 67644.91522 69823.21748 78523.08259 80547.05951 76850.86302 96391.14858 98232.67433 86167.06003 111918.3653 69585.87552 92190.11561 84261.68587 106602.0912 81892.26843 86328.41979 69784.5944 69862.47985 73523.04747 86811.04707 105273.1738 69858.25435 136422.6618 99008.59573 94906.34907 97975.34336 78990.62774 138724.1152 144833.0186 140271.7922 108534.1016 122627.8133 104041.2139 109235.5837 89936.63243 112452.9486 138263.8092 105894.1427 126869.208 117367.2701 114344.6567 78341.1542 59971.00283 68997.11658 110583.4432 124312.2469 142604.1626 114727.6028 Asp-Cys-Cys-Ser 268471.8155 71250.97716 80831.94857 38950.98837 460459.4858 109151.1006 48351.25027 131468.9933 942813.4796 1172835.446 316202.9057 275849.403 1287840.373 1369332.679 1146736.258 214288.3394 224863.3684 345650.9357 128974.7518 1262379.896 3056916.663 1468430.212 3238513.946 202254.7773 469230.358 1094248.974 953638.564 332862.5714 282735.9308 663048.1338 581568.4611 681588.2712 1021623.41 536273.0703 684990.6384 3142931.005 2490076.868 3027500.009 2248090.331 242163.4976 372857.0238 345490.9109 886232.4083 563215.7567 944776.7426 1366587.43 1182244.143 174993.1394 56959.3266 41874.25019 212043.6739 1058682.772 482590.0192 406751.4798 497049.8119 173883.3243 85783.33443 101737.1828 148844.882 159286.7104 242199.6644 115327.6789 61962.28049 53416.18621 42776.66541 97751.17815 428665.2804 97450.95503 ADP 13283545.28 14239559.66 14511028.23 14344520.66 12404665.1 11807564.27 11281065.21 11595184.19 12456499.5 12733794.62 12947857.79 14647090.67 13056360.7 14552819.49 14981097.71 12091891.01 12494589.4 11537182.07 12828452.21 8454178.588 8801641.933 7547808.711 10058343.45 13541194.24 13156024.08 12295288.53 14852137.51 15117403.7 14684011.06 14591832.73 12317589.45 15303063.92 14880202.68 14582534.19 14673857.97 10740750.74 9670565.211 10686930.78 9842928.199 13363996.97 13407822.6 12441095.2 12856108.94 15796503.14 14916552.71 16919931.86 15348348.17 13035204.49 14443501.35 15175675.63 14707152.32 12842183 13214107.58 14424343.26 13258684.33 12971493.23 12497007.39 13129325.27 11573944.61 12648534.04 11521915.77 11801583.39 12825157.58 13579056.94 12264790.8 10997837.4 11620351.98 12123585.74 dGDP 1078217.469 1147331.451 1471996.547 1236765.299 2606788.204 1680811.748 1695424.246 2354306.743 2192763.832 2523866.456 2877613.648 1753893.68 1652561.474 1405531.888 1905828.29 1846151.932 2953474.752 2152265.606 2749932.706 1609870.234 1434802.66 1296641.077 1441028.122 1887052.018 2102100.59 1463203.962 2575118.544 3321048.205 2663518.036 1620836.756 1073156.982 2320128.019 1234744.604 1784422.892 1530702.628 728443.3353 591805.2898 818656.5308 504794.3793 1148844.256 1038005.077 849925.3004 1211203.279 1833682.228 1651064.989 1373710.07 1204360.945 2604392.018 2453801.97 2510448.788 2379917.432 1635220.87 1532098.96 2436665.215 1913267.397 1420939.214 1495360.662 1375555.155 1500613.363 1787355.92 1255796.236 1158804.029 2136597.162 1978136.858 934985.0842 1133130.754 699263.7941 921850.7097 N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amine 60900.44594 73950.36358 74129.8696 69680.9258 0 0 0 4667.899899 5969.253964 6433.277191 10974.73407 4625.55762 7374.04146 0 0 27226.88982 40233.06594 37440.60658 39467.73705 4431.259807 6780.071062 7718.212576 5533.762812 4478.676494 7397.839931 0 0 8098.661502 0 0 0 0 0 3836.111619 0 118273.1506 139417.8466 149153.9719 110333.6488 159701.6359 139491.6521 124703.7291 160050.3255 144691.4184 171770.2679 162119.6185 144457.1651 66138.77479 74155.4813 70216.74459 52432.72544 193556.1843 168063.3386 172875.11 165979.485 7368.591307 6131.426521 0 45156.43329 62041.57519 56488.96659 0 4238.848628 4362.393924 66431.68639 59453.11461 44468.51987 61009.68498 Ala-Leu-Lys-Val 26687.49953 27512.56265 29230.36754 33723.49085 19203.99094 10487.30406 9210.429905 16663.86562 25878.71626 27917.64188 35591.72646 26256.7623 27173.59184 28002.8683 33197.43333 12215.64919 19201.67492 19805.58094 24840.96302 20862.00343 14503.0399 31991.04601 17539.51453 39249.62141 35806.27095 28728.09806 36219.88986 36867.43115 36685.9296 31544.00608 23721.95545 38747.70073 31485.99997 33157.25827 24956.74945 64226.07924 58887.09699 98099.12572 55176.52281 77993.95921 82115.84734 66923.1377 93233.62484 55487.73227 82201.802 71487.85096 58813.4464 22873.23599 28759.249 23900.77629 22441.66403 88854.38829 86160.78229 107116.7715 92601.5105 0 7632.812487 0 6048.746385 7392.937236 0 0 17383.67211 18134.5895 19543.10654 24289.76828 23838.18145 23761.39032 dCDP-ethanolamine 52120.43046 58456.07139 47982.54404 58212.3687 77954.01216 72085.53104 64447.98242 82147.47375 121232.0773 119857.4478 138022.0903 58892.05402 52470.66636 52324.18282 64674.42262 24682.59134 24749.6829 24331.03092 27755.06868 35016.78898 39151.68494 32381.51092 36612.96796 41701.95365 54159.82863 55444.75093 49891.57879 59327.7773 58615.79126 49855.57678 46644.6472 53124.09353 67341.34729 60877.85159 60229.45754 31683.82265 26560.58835 30034.9534 28523.3974 62745.08785 69224.51086 69249.52475 64579.10927 71250.69825 58536.61861 51380.17953 50552.84178 43581.77062 51023.20633 52163.20621 57371.7607 53978.65828 66831.49056 57533.21469 50317.7738 69277.14551 60156.34918 66788.48238 61538.74425 61815.01697 70919.7846 61212.37166 76752.58341 83499.51508 50030.71182 52314.64933 54702.05584 66610.43574 Ala-Leu-Met-Val 42038.9353 50490.29931 46092.70016 49833.37251 32269.64094 35219.99338 28554.07761 29397.43301 77304.80721 80637.11622 80757.34849 49551.81166 48849.33051 53850.40312 60276.76938 50829.66919 43153.49623 42854.94401 46162.76606 31160.88776 25143.42015 28353.69585 25979.35096 65858.74875 52296.0427 50845.71055 41631.30427 46350.18757 50602.77615 49768.66436 50058.77196 52358.43279 55625.76226 46211.08249 53387.73515 68127.15999 61741.7582 74962.0208 54198.90319 113447.8296 88169.58933 90424.18563 100504.1562 66640.35125 60944.22273 53590.88454 54651.22561 38949.99914 43906.70628 45351.08992 45145.52743 117778.7652 108525.2229 105498.711 112962.6815 27085.09028 21508.81335 24005.14201 29836.31899 37101.33124 30407.98822 46189.88355 44521.14601 48681.19604 58878.38526 55247.35972 65068.27587 65346.61507 PA(18:2(9Z,12Z)/0:0) 59244.71214 56203.72208 57170.82846 59205.1527 59856.45694 68400.80186 46535.83532 76750.97265 72671.98717 90757.83309 74937.75004 71851.19232 64093.80521 83339.11587 70456.1841 63808.45493 53971.16592 65736.26073 50699.43007 73949.14386 95735.85938 116930.0191 73157.2898 76075.18699 73760.78182 87616.71145 70571.7377 66550.84346 74016.25332 65287.52426 102985.5408 98711.13481 60135.50933 67066.40837 59649.81939 275243.1862 298549.7447 343511.8098 306666.6266 449182.1313 400365.6787 389681.9638 404410.7867 176825.4408 203621.9247 229133.2355 249626.3309 55730.84072 45997.32421 43246.01047 57467.83567 365539.7642 351013.363 345004.1163 381410.5026 50098.05222 54077.45645 44537.60962 70507.03003 58472.39039 65352.71778 74364.10853 70465.41955 80258.83351 44941.53822 51494.60921 56376.68555 61929.76009 [PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine 195755.4843 256403.5231 223688.1375 274371.9831 246413.143 213989.762 238476.9297 256937.6196 162603.1565 200822.7215 201590.4917 416394.364 232440.3802 325160.2451 324545.2895 168562.9504 185362.0168 175281.7523 177121.1486 157402.0951 142131.2144 162992.5632 111270.1059 211762.3653 152983.9276 173729.4134 150568.4205 185385.6262 150880.6213 126892.2419 157117.4671 134190.9412 174876.4139 159270.3045 161787.8956 162153.2934 190628.2289 185677.0635 230002.9541 169059.938 136950.8325 147577.7264 187380.5073 146262.6581 176238.2623 164075.6501 149512.9464 249122.8099 216960.5231 245858.7119 234298.3623 186834.3003 150307.3683 144943.6932 234403.6857 166727.9571 195133.3085 190161.7144 162267.1669 228763.6718 163950.1361 301676.9822 322067.1932 415598.9256 248327.0318 237199.8285 207095.8797 232815.3964 Folate 96151.42523 84468.80906 79976.65578 77741.63006 74475.44717 62532.88359 75662.59634 72491.01332 57933.13716 67699.91098 52950.42879 82189.31397 78503.67752 89046.86511 88128.19882 113734.9358 114314.2064 114060.7699 123942.0845 86749.93985 95662.28941 80089.19489 90851.0805 70809.32555 81844.04709 70731.295 49023.57076 69091.57817 60436.78638 93242.03357 87686.15124 102196.3941 96695.77991 79225.64169 90686.24761 82053.01297 70605.94854 75249.97154 74162.71559 59680.98713 52215.48861 57718.82153 57872.34096 81445.37934 64783.14777 68801.90329 65566.10259 60409.75642 53477.30339 66982.52751 63764.95304 58480.0041 65009.06587 56538.72383 55385.73685 85617.74414 61929.1834 64102.41508 67181.50879 80932.89823 59355.75623 78561.02629 68812.27813 79195.59055 70946.66657 79253.08568 70486.82656 64646.88269 GDP 2809176.901 2886409.598 3171865.848 3307711.314 2744939.392 2385485.751 2144928.154 2712150.45 2846286.272 3121813.039 3093008.276 3226508.107 2944511.53 3017006.354 3101375.498 2213019.103 2867434.666 2151482.317 2674349.156 1813602.908 1720969.844 1473499.546 1911865.745 2610908.627 2636454.028 2297070.381 3314639.837 3675058.394 3310446.39 3233199.869 2507903.408 3814338.129 2463725.007 2948124.99 2863616.093 2173098.872 1814831.818 2094449.884 1655588.498 2759828.2 2702582.703 2413310.315 2594625.015 2821147.468 2899149.03 3061424.466 2977416.561 2992826.815 3557137.842 3491334.905 3498568.621 2452663.114 2468841.675 2661840.729 2493160.693 2495219.791 2420835.471 2634377.589 2058454.013 2692486.587 2037152.521 2061731.322 2851409.053 2488352.2 3209271.422 3339215.989 2509151.354 2820388.967 Ala-Leu-Asn-Gln 0 0 0 0 27129.5461 26160.3945 40451.19227 33698.82507 80780.31598 127073.2859 132233.3611 28670.50968 19345.01814 26204.02952 23285.97479 0 0 0 0 0 0 0 0 15383.15175 0 0 0 9013.633011 7602.794372 0 0 7439.230571 0 0 7506.941305 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 19056.32752 21237.14117 28422.75776 9234.790266 23827.54654 16373.70858 36778.59141 42955.6901 47929.46482 0 0 0 0 CDP-ethanolamine 540834.7364 554722.5097 561000.9596 586487.6811 1035195.867 782575.2394 784269.0605 962621.3561 2629660.157 2746935.913 2698859.03 1017540.047 991285.6723 1001210.412 1140098.894 447981.1207 514203.5035 513688.1452 505816.5595 747851.6105 764786.8698 680361.96 895579.5876 1098615.524 1087331.483 1045903.779 832144.6295 1109538.173 990885.2238 1011302.908 794978.907 1147001.906 1154443.767 1206045.917 1218833.463 623335.4622 568097.1024 621684.8699 520886.0321 1038065.458 1036945.021 985157.1277 1077259.106 1276766.778 1255190.453 1339431.915 1243290.894 569484.5366 524790.122 632946.7081 581152.4313 1377123.528 1340151.425 1447989.971 1328978.04 1138145.42 1153677.277 1044436.167 935316.3474 1129015.532 969775.3131 771531.7773 967765.8101 1145355.137 555868.7724 640138.0913 537153.1521 567141.7427 Cephamycin C 0 0 0 0 0 0 0 0 33496.70904 23845.87313 19018.50643 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 98039.16857 104134.6327 66229.27165 95351.84799 361509.7269 285454.7624 255375.7456 310452.1824 98344.18104 69578.3067 86689.16922 96918.71845 0 0 0 0 232664.1468 232849.345 197969.3006 207035.4896 0 0 0 0 0 0 0 0 0 0 8617.925371 0 14921.9224 Chenodeoxyglycocholate 40166.44926 51631.0344 45620.93854 46435.29692 95242.46573 80569.6328 91939.98548 83303.74685 60297.67747 79270.25008 73806.43097 105220.8874 100319.4863 101116.6015 113939.1335 105444.7758 84144.14729 106945.0221 85040.34206 89724.51033 97268.85784 106355.9674 95794.71361 96298.68011 86974.51577 82621.89808 55028.10243 65516.70513 61712.2474 69943.07333 57756.60469 78016.72409 79299.54749 66983.51712 99794.94384 102794.6763 120580.1156 110881.7446 124714.1189 58739.18296 65151.70721 52517.37169 61110.78759 82661.3264 87561.73891 78126.50926 95190.48675 37976.24834 47146.16873 40079.27379 41805.64315 68191.93139 66316.28388 62222.37624 54698.48886 71340.94868 58065.7592 63201.54603 84334.82629 72975.80818 93765.72531 74743.70226 60696.75753 81861.49453 56500.73001 45265.07719 46041.47625 47706.93773 LysoPE(16:1) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 56336.93538 29433.80152 28786.36683 33429.23991 96634.26288 80022.14447 101099.702 88977.22265 13109.53012 20309.99619 27511.06693 21114.18264 0 0 0 0 51561.94938 49877.5614 86872.41601 83142.87598 0 0 0 0 0 0 0 0 0 0 0 0 0 LysoPE(16:0) 56996.84784 35913.03066 35752.54772 34508.22745 87703.27358 77281.22002 58244.04758 64915.4065 50493.6231 47252.95489 34069.0803 39866.08486 62312.13405 85066.05986 62661.26076 41210.03234 35007.04225 55768.40508 40494.32306 48557.81938 55589.2951 60406.88053 86486.36875 52877.30559 46120.28041 72305.52238 73942.83737 60310.02792 49650.51066 56434.39038 82355.62029 37903.38734 77355.09773 35834.17193 44043.97375 225308.6866 229955.0942 241999.9941 269625.2985 514157.8942 434203.0319 484917.2181 428803.1931 117953.3569 119926.9395 154614.1035 162829.8852 50504.72897 45194.86309 41469.09299 51663.68099 377689.7487 309625.2069 262586.1349 297337.8696 48144.82374 70657.99351 51069.86748 51686.56786 49231.1795 57242.06032 68815.43883 33984.06451 38581.40972 31407.99849 35404.1882 58574.13721 32788.89275 Cys-Lys-Cys-Cys 110749.3616 144497.5511 149035.4052 153097.157 124467.5397 134689.0885 102701.9664 111474.2926 91032.42574 117681 111210.5751 126375.2994 108539.9373 115356.4889 155372.4023 157489.8414 150402.0214 164889.3495 143149.1247 64957.88382 65196.4248 60763.36533 96449.44588 103985.4893 102484.8248 84211.30893 111888.9982 107037.3641 101710.6267 132571.7588 114067.6788 122522.6481 121646.8715 131250.1124 114289.7024 86137.19122 70598.79141 44644.63424 97092.59441 127188.997 108636.4743 132714.2208 119929.1394 90474.37814 103705.406 85522.74124 92193.04773 121837.3232 116550.8475 111721.7105 174515.3937 110600.0573 107352.2191 131635.8634 110173.0911 121096.4299 95672.85553 104695.7872 102915.052 116379.88 155601.5827 150374.2123 144328.7747 147114.9631 134982.8088 123463.1379 107206.1902 136500.0087 FMN 186423.4072 204535.4275 211978.1789 207221.5128 163857.9633 145977.2427 129099.5526 161200.94 136955.7108 125507.1105 137225.6706 152207.7301 182530.8291 165834.3907 173325.7204 155322.8313 159008.1458 161519.6254 154613.0235 125176.6696 135806.8846 145299.3773 134377.2031 135007.314 141304.0353 146362.7094 154799.6019 159844.7704 143649.8505 154381.5161 142119.9588 152846.6371 148615.0363 160820.6638 182451.5329 123118.1841 109635.2718 146961.8248 144239.4939 172894.4907 180930.4347 157035.1096 182746.7248 175748.9297 167661.6692 171536.2215 161832.1495 191465.4987 196100.5482 202573.0354 209356.1716 178330.4426 213318.8705 169157.3189 165095.5624 134582.023 135251.4864 139049.2621 123012.0393 139671.3571 139509.0194 136292.9712 158163.3989 185460.5256 217519.1668 205279.5021 190087.5138 208525.9043 PIP(34:2) 686343.3785 777994.6277 638712.222 518266.0679 618829.3763 541121.3033 417713.79 546052.9308 328082.5129 482288.8901 298777.6518 619931.9634 757397.6417 641999.3581 863711.9223 576494.6813 502323.931 693993.8606 626551.9082 670840.5074 869011.8128 555382.7152 851883.8607 539349.6373 632102.5451 580323.3714 962582.6491 766772.7171 673970.671 769465.8954 822158.6494 787171.2013 805759.2783 699362.2563 562344.5909 698709.7733 608996.236 1031373.094 318373.6711 556153.9187 709754.0259 485215.4552 695042.8666 547240.7943 952948.6103 783314.7532 795402.9046 776885.8355 770515.8206 756100.0651 847691.1727 643819.2485 722655.9087 692776.358 468187.2722 493042.0535 466108.8419 401850.6318 437919.269 483811.5079 566392.7417 419797.0811 527608.4059 601603.0815 553941.81 577383.859 608895.5682 585724.5821 PIP(34:1) 193640.1369 204074.11 203054.9873 226012.911 234179.0722 269684.0238 251111.8811 286991.5208 93162.08214 76155.48976 90411.12289 196209.6156 126867.0359 164731.7589 180586.1974 132982.5611 159447.0792 104992.0143 160764.9906 248044.3686 213303.6415 449146.4111 225622.0776 245712.5962 246413.143 240630.1741 284726.9852 300793.1219 291858.9392 254044.0302 286036.9162 253932.1718 212687.0128 246413.143 245184.2616 186805.9703 202613.1237 264434.6671 196577.9961 160204.634 188015.7197 162751.6104 149512.2718 222878.3888 244429.0344 231500.6838 213008.3666 282025.6896 262770.3484 290056.9221 259590.7767 168590.7512 166830.7269 175390.942 182727.0977 259438.2027 264469.2092 270579.5271 303752.7685 316396.3793 265009.5659 217652.3976 184326.937 183495.3378 210134.1777 219080.6353 179517.809 213488.0357 Phe-Val-Pro-Pro 572046.8881 754141.1857 628194.8151 492488.1958 738202.4015 773905.1615 522940.7936 697884.7263 285847.7329 302635.6137 181971.2502 540079.0581 559150.6242 609601.874 752691.0173 475162.9626 400761.6367 531809.6852 467283.1824 701976.3545 935556.4266 593957.5465 910805.7567 597209.6382 676116.9576 638956.3436 949818.2781 870321.3798 683656.4532 687032.495 958262.7279 772316.5821 775584.8069 570378.401 553071.897 607617.9034 706820.039 877816.4788 281372.6164 505403.9482 607158.0491 541352.995 707941.7469 548636.4172 872882.7706 829608.9884 746311.3807 863018.052 658371.5392 633467.4785 786949.1226 593590.381 754485.4574 698088.5921 586076.1054 549954.5982 602457.5735 570639.1357 617141.9114 634147.1724 815824.1768 332282.4899 431909.1436 429008.0571 536183.1011 576324.3779 520513.8864 563086.5411 N6-(1,2-Dicarboxyethyl)-AMP 437231.3855 382990.3024 440228.1719 467690.2582 296466.9884 225997.732 191760.6493 266564.1027 558257.6802 634820.7575 663962.1011 345384.2467 352441.76 347314.5228 406560.6992 418518.0712 542992.941 454786.689 551696.8981 186334.5207 192766.9104 151428.4502 187565.1085 329436.9178 375367.4303 296871.3876 394658.6435 538851.0784 371274.2859 289436.7133 175260.73 392935.8069 268994.1313 296592.6618 274899.4739 417780.1298 338006.2705 452419.0008 368809.0329 830662.2732 761937.868 644791.6143 929789.5647 623852.2904 608112.5099 564228.7645 551590.0167 590669.7399 472936.8338 614210.1784 569099.1141 532424.4755 592350.7746 630422.2858 600088.0529 530532.2638 590127.3789 506331.7017 418512.6204 581342.9358 476621.3838 159144.4767 232412.3009 232409.6002 1102099.68 1333335.71 956426.1849 1176349.228 LysoPE(18:1) 783213.4606 780395.1922 854077.7456 775592.4972 463383.0262 606681.0667 545575.6631 500187.4691 546029.4393 470972.9601 465266.6696 713341.195 837371.5363 860168.0976 757077.5281 941236.6755 650227.6081 728147.1972 642889.7784 426526.1347 382091.1785 334607.1839 394951.6461 484033.8917 440256.0929 497209.131 625146.0363 573366.0455 560064.5539 285640.1119 316190.3191 299107.8135 562976.003 473483.5195 543255.5771 587430.8601 518363.1456 515700.4019 584839.2562 696825.4437 660009.8678 630360.7309 667538.3345 598995.351 607670.6484 662611.6606 769770.8373 810931.4244 908310.9775 992584.2405 774367.0782 672334.0244 772714.5471 654396.1655 548493.9606 428899.8653 378245.4653 392799.8077 372577.3928 439847.0145 268903.4355 1131048.926 1037489.498 981138.971 850051.7327 833998.286 943399.1759 832012.9877 Cholesterolsulfate 612332.8463 695501.0202 832756.5349 697808.2361 852475.691 511812.6662 645119.6469 654846.2591 767470.6962 1145380.299 1046986.305 897911.8754 874146.689 964707.9975 1082731.315 621654.4165 791784.0825 676164.3257 976439.6226 616938.1934 634224.1636 875248.345 531393.5806 567748.5526 752040.9714 584424.3981 571883.1854 646997.1603 632366.2563 691447.1917 620665.0271 554778.8816 529646.7783 687210.8235 559528.8278 349888.3856 429135.6384 469519.6168 400801.7493 444792.5095 442421.2531 391427.673 391772.8608 500032.9727 513040.7839 385245.7393 410987.0402 598730.0691 659971.0291 702653.3012 581470.8134 517029.0637 512572.6144 589663.516 504124.2023 712090.7133 554546.0556 598526.7513 554161.1673 686186.5843 605376.0715 852682.0036 845794.6078 1162041.776 881306.4213 698492.6336 451277.0011 746298.6624 dCTP 52891.89597 66371.79386 76947.3806 60151.6311 128688.9647 83869.47378 86869.1669 137335.6693 51990.96418 46835.33074 60107.02 51513.41449 44195.78372 35773.98138 48235.55841 41300.5376 60752.84225 37853.92419 53210.4832 52644.45992 36467.80926 36848.1597 46231.52996 84419.25086 108994.7029 71319.13676 99096.26974 145482.7667 103733.7642 48061.34393 32803.01096 65752.67973 37872.74867 57731.58272 49368.29772 26632.44504 18762.22582 24188.69893 15049.2734 31423.94899 35078.59094 26499.91996 32678.46223 44825.07802 49758.34129 43069.83399 38105.56891 151247.2412 142799.0553 151552.6614 142318.1729 40762.2234 49882.10207 62456.17527 51065.84229 70182.05556 82822.03358 72824.14448 50655.69796 59791.25638 51695.00892 33307.15392 56587.93423 59002.91351 44213.42182 45513.02484 31511.09026 38243.04255 [LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine 57347.69161 55070.0326 41150.53992 47232.64673 109769.9497 74392.04324 96095.61309 101449.5681 59189.61604 70246.43476 65003.29963 65822.44425 59091.02216 53096.16026 70259.49808 43609.87645 50960.80875 51628.87115 57204.72374 67314.44762 63698.27657 70861.81553 69408.89928 62725.74843 51992.14273 63576.79477 51153.61848 60057.1271 67779.96034 74575.18779 59250.43938 86895.33216 58308.32601 50988.78243 60465.19521 109803.2698 95252.1078 124599.2217 136619.5334 180610.9509 138779.2728 117543.6028 157204.5413 108042.6304 82664.50518 76001.95457 62777.1771 39166.78169 44194.48784 57003.02591 45155.65198 130145.884 122749.2395 159073.5173 146678.4728 91485.16 86946.85672 95588.92078 87757.64993 119216.8034 87903.80885 33692.70214 58560.28965 58759.34777 22359.84072 22812.57695 34728.75437 51598.24927 [PE(O-18:2)] 1-octadecyl-sn-glycero-3-phosphoethanolamine 154710.9183 209495.7376 198149.2916 171968.4657 157815.8276 182527.4784 98404.79864 169218.2219 132653.8601 136541.2692 118444.9293 232779.0503 184754.5674 203097.5588 185446.5303 175300.7521 233645.6738 186438.0913 189394.1 103430.6422 113212.8572 162469.1156 86786.05051 133365.9034 120947.8288 130009.9087 123242.8394 139169.7953 130988.9132 106845.3401 99223.8112 83705.47005 163488.8855 120685.4015 144473.7091 119438.3321 169368.7986 149745.7798 145020.4083 165087.0531 182450.3194 119441.2196 135752.259 151873.3294 150770.7242 153759.6165 134750.6621 171857.8705 173079.4405 168252.8119 181630.1989 175697.7046 168868.5565 175306.2255 126346.8204 135584.3179 116525.7809 126328.5016 102705.7429 119650.087 102124.3916 236011.5562 280463.3678 276021.9148 197018.0785 150698.3792 182391.4119 181153.7667 2-(alpha-Hydroxyethyl)thiamine diphosphate 418607.1106 469605.6327 480348.6157 543080.5639 357301.804 287476.4304 251465.5228 312628.3289 278119.3168 380636.3823 405776.6916 504381.2131 420525.5041 418870.3777 504816.7916 389045.8257 454899.3503 390321.3136 459160.8669 315539.0831 314331.7881 286372.9163 301641.0016 367372.6325 497477.5903 325778.8659 464039.1996 595641.7816 466574.3957 366782.5096 287038.2648 494994.3404 308388.2024 453228.0042 394222.7266 320569.3885 284148.0498 305098.2288 231807.2364 438274.3448 444399.2264 331271.9163 457737.2673 440728.9415 469576.5183 380219.6248 326440.1336 473293.5052 492009.7249 514802.6644 486985.45 410285.8103 450466.5439 557955.4155 472396.451 242116.5388 243324.3354 244532.2176 229096.3176 283152.6723 227127.8174 258469.051 506687.6384 529933.3057 452014.7399 452176.6396 395308.9322 473000.5209 10-Formyldihydrofolate 539538.5029 281882.4664 259109.2142 333559.5368 484724.3991 328108.9246 271958.7984 288163.9853 775275.9545 960151.7735 491399.6613 310718.98 660509.2231 681874.8802 608866.048 518729.5177 294627.0303 566327.7302 273947.7389 240390.4642 522989.5129 272087.6666 471731.0661 263323.0539 294564.4196 589341.7735 683296.2315 297887.3653 294038.7954 306082.2093 443204.271 326979.06 630975.6788 324134.1634 486805.0938 364894.864 368357.0212 389197.7901 348829.9115 219712.0787 363613.1894 327034.4076 478208.3545 206898.1624 227982.8927 521398.7228 442284.7716 486687.756 391001.2792 296281.4579 658224.8349 564397.166 381082.2059 221250.2399 229937.3519 227299.3193 220666.5183 205713.454 263584.7652 281894.3633 246158.4964 498475.9088 361110.1304 324703.6764 304994.393 309102.5239 604597.5491 303927.5601 CMP-N-trimethyl-2-aminoethylphosphonate 1926471.576 1937464.637 1888683.075 2220516.43 2272591.141 2235214.395 1697250.017 2410712.248 2698394.467 2973543.917 2973918.465 1925666.141 2166270.83 1890847.571 2162111.176 1077309.641 1049157.201 1026748.539 1015833.489 1596029.902 1655566.443 1172087.473 1865833.489 1724035.852 2219310.816 1874339.92 2327010.576 2192343.26 1939112.942 1754542.58 1464088.415 1920555.636 2238858.507 2134466.117 2216157.818 1848352.69 1562815.47 2011963.878 1317651.361 2462194.899 2755043.933 2527519.146 2676059.73 2233834.23 2171574.449 2835014.953 2281788.257 1878482.294 2228895.883 1955224.014 2118983.085 2572391.607 2657697.325 2355615.406 2297915.517 1881417.899 1747008.827 1635441.235 1906579.202 1828063.85 1778630.476 1676937.566 2056620.822 1943124.233 2069057.216 1929940.297 1984328.174 2227504.983 Ile-Phe-Pro-Pro 2844363.409 3177727.256 2985885.451 2340179.25 3157227.669 3316173.759 2139677.381 3155933.891 2540891.998 2913614.049 1774667.646 2470657.569 2464335.436 2575378.474 3136234.735 2101124.168 2060795.103 2464533.026 2291861.439 3193344.552 3781219.781 2779782.709 2989741.045 2267474.025 2601498.188 2493424.421 3880500.506 3788535.286 3193605.397 2804510.508 3663501.584 3356809.001 3677208.702 3015957.363 2384767.09 3143855.417 3004430.039 3878477.712 1116502.2 2462016.328 3253387.418 2256500.076 3287013.672 2905477.961 5035670.741 3712182.942 3005922.579 4255751.222 3198119.372 3282965.456 3927754.049 3095537.484 3505700.324 3497716.875 2467976.119 2604593.026 2526940.085 2724630.731 2969698.037 2784314.012 3412270.297 1622612.384 2442159.574 2493133.326 2624569.348 2786241.992 2790307.381 2615447.787 10-Formyltetrahydrofolate 0 129672.0778 187207.0693 160648.9038 45213.41915 84805.96319 102746.9468 134629.2704 45352.40347 16312.52337 273462.4486 184363.6192 0 0 0 95049.16036 255601.1565 28624.1115 258365.1137 69809.80899 0 17608.52105 0 133869.5403 181959.1443 0 11415.62168 171662.8768 137146.3547 142343.18 14052.53386 197615.9265 0 173362.8494 82769.91065 33525.93426 0 0 0 118733.7128 60431.50386 40585.87223 11804.28376 123481.2908 110876.0829 17286.52446 0 22795.1808 173561.716 175168.3976 41070.1675 0 28603.74206 141840.5464 128708.7813 103228.9378 89155.0333 102676.0237 95242.72161 106738.1644 82379.01736 41871.77337 173186.3135 159244.1624 173386.4153 188583.8798 0 164999.7775 LysoPE(18:2) 237454.8947 227851.7226 215759.6254 199962.8468 219360.08 190344.5934 148289.7153 213509.9434 218442.7097 212732.3647 162926.8733 272155.8672 290928.2257 294860.3389 269129.5092 264946.6914 270581.7055 263237.4652 215946.1725 250612.1458 264868.0858 388867.2024 241564.7245 212130.4837 194926.4566 292169.5096 277188.5532 224675.6509 269995.6535 274420.3606 327918.0386 277576.2852 308548.9339 196004.2442 255133.5093 686182.0718 670395.1439 770988.3157 604132.4495 1003008.679 831748.4518 883527.9211 953941.908 368218.0322 376475.5589 374421.6603 425266.0799 178858.1301 175006.3656 157564.0984 182894.5828 925456.3481 706068.7121 670882.5686 869012.8423 158256.9219 183535.587 147079.4483 190870.3928 242032.0744 185637.6566 251670.1627 266081.6433 311555.7046 182997.5647 193540.1645 167300.7712 217062.8719 LysoPC(O-16:1) 312076.3411 352373.3723 562884.5989 287567.6918 304296.5919 310144.5496 231922.4209 335968.6326 281770.5067 252022.8498 260767.9002 456301.8143 388540.6231 410344.0985 421880.243 303876.7452 305588.1529 233689.4517 256931.2238 236245.8391 201662.995 301847.9506 194352.8179 282342.5928 186219.6252 231782.5976 225444.8163 274704.7193 332910.834 219082.0955 207242.1607 286614.1386 211732.1188 244006.1939 263654.7997 176585.7089 179909.683 342576.6652 160702.1146 269433.1799 220257.8225 168637.2409 193254.0391 188244.5322 197893.8234 160623.8213 139452.9331 348555.7702 322871.2514 401404.7994 284005.2476 220456.6652 230468.4389 151037.0975 198072.7468 284413.5298 378965.8913 266111.5104 256148.0543 254516.572 218340.9269 293799.9406 383332.099 420239.6119 305822.1689 377128.7804 237603.8601 380448.5393 LysoPE(18:0) 55114.4886 56989.19847 54992.45839 48473.00255 207467.4078 190351.3182 139419.6934 186800.5456 70428.60611 107806.8557 82774.50841 96014.36094 79656.44095 69394.16455 73244.19097 62746.21357 79485.82521 61388.46086 62655.40959 117480.5456 105221.554 120541.1872 77990.53614 100415.4918 68571.61982 69373.9053 65830.08461 65413.50064 56248.35564 65904.43329 83995.28122 71192.36742 58875.63351 71462.064 63694.66256 91710.6144 96764.3329 153287.6958 109137.646 198663.7235 176955.2426 168141.7654 189389.3774 67080.65654 81697.16156 83384.0527 80343.84703 76365.47745 43568.69598 47340.96431 64654.73654 125269.4981 114315.0651 140783.238 174633.446 140058.8496 180472.2686 163699.5015 140540.3402 130441.9888 131325.2186 68172.64093 100686.1798 103119.1306 53060.5106 35794.80141 60576.7424 72779.58721 [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine 82189.18808 80932.25822 94650.1487 86460.47763 188164.4658 179088.3302 168841.8648 283030.6538 104302.3042 118913.5825 131661.0253 135644.8088 111133.1232 124348.1578 126042.4229 91910.68597 103493.648 73818.06124 122051.5259 110536.487 95620.43161 123299.6443 92452.50178 76506.64854 79968.20333 77794.74503 85208.37652 71399.30515 101272.4221 91109.03461 72353.96705 72741.06953 70863.65438 125411.5633 85203.66243 50841.07563 39246.86537 39562.31164 70280.24097 79791.04238 62950.27305 51906.80169 80322.01727 66413.59235 53824.05491 57473.46999 64545.79366 59906.96151 50973.407 49340.51249 56354.38745 68751.76276 60162.93208 64245.0845 53323.1065 202429.6655 190716.014 277205.6299 173435.0133 170825.8009 153767.9943 107908.5864 135798.6232 184280.5799 79792.76061 67522.88988 76915.90954 89854.01742 dTTP 289044.7636 288349.1154 375150.4999 338006.7345 597811.6426 296973.7015 312522.0341 518806.4291 561037.0887 666973.7336 669312.1964 390629.7709 315836.941 304006.9719 378012.7705 533687.4142 743105.9919 506689.6166 684200.9723 369989.2258 351173.2108 345476.5189 340759.7608 391382.8626 415160.5456 307510.57 495823.1502 579940.9518 472696.8409 369359.6586 246413.143 532331.8764 294424.141 371841.0313 374699.7796 245009.6381 187784.9368 262838.2877 157195.232 365275.1195 367171.0204 283239.8223 425816.9086 483500.2197 513275.1395 383339.2372 353861.3125 606276.8217 547172.3964 531661.6166 597010.7205 459527.5255 476101.8118 611092.7191 544037.3359 316503.5218 290672.93 289265.8701 318492.7021 370147.4976 268018.1659 259549.7122 429079.2411 438826.539 285641.2287 313704.1753 195394.8548 307264.5885 CTP 151524.8141 131626.7479 159547.971 147870.784 540820.5604 386317.838 323355.1462 561261.7949 365159.8986 428489.8378 501949.1645 208431.013 193529.2008 194519.8269 222856.3363 214215.0389 350006.589 234047.0686 305919.2721 313124.7944 312078.2177 268434.9005 306767.2113 444774.0397 487342.3761 361575.5671 532531.293 680297.4512 538300.4928 236479.7232 153953.8508 435530.7485 186266.9433 279602.5352 267561.7506 103291.7287 69875.25759 100841.5448 82805.09449 147443.949 131722.554 128276.8609 159247.7767 248662.741 220832.6639 189088.4139 179053.4059 583545.0545 621870.4227 657575.7025 631616.4106 233572.9365 210433.0518 279479.8515 294641.6485 285730.4137 302311.1518 273575.0025 274263.8971 332657.3086 246413.143 115143.7299 238022.6845 204836.0177 132238.0828 139194.8164 72399.2845 138400.3176 PIP(38:4) 443334.5734 478443.6649 403174.4329 424894.0333 408475.1945 454489.0558 473843.7527 445983.3251 406092.8533 448313.8961 400329.2851 340645.8342 303103.3918 315345.6896 346898.9742 364603.8538 344366.8682 322454.0784 362502.3591 431398.522 422571.13 839138.5859 413840.4972 449228.2659 440976.7304 456062.2576 494870.8383 503517.5504 525250.5878 501948.6655 560477.0215 465230.7382 515891.5788 435060.3111 510398.9893 257309.2547 267785.0118 333060.5259 335967.8155 247744.0704 284452.4603 279942.7286 224433.7087 348416.395 354078.4379 439593.4553 480865.6574 502967.3598 657393.5671 690626.2346 634011.8632 262112.2139 326087.3462 239253.9074 273764.2504 470934.0098 405044.7816 419897.2906 417953.0591 498271.5884 422816.0584 461672.1473 370901.2013 367135.8267 445424.4611 455374.423 444502.5001 452071.7218 UTP 1831648.591 1994226.234 2446178.543 2090921.492 4571869.62 3111948.909 3052348.954 4596370.695 3319704.657 4233613.96 5032899.219 3140563.713 2702876.725 2665702.354 3229704.111 3853956.663 5907917.834 4122573.165 5876399.452 3624933.447 3060684.566 2657421.807 2959248.187 3567925.707 4150447.452 2526943.059 4082352.344 6063064.024 4264293.462 2815793.969 1892930.738 4616728.3 2137074.607 2925900.135 2685732.827 1248425.247 830829.415 1249872.89 798389.8244 1726624.569 1551402.251 1329969.115 1724455.161 2851581.565 2478435.285 2322725.621 1922638.773 4246505.057 4212636.339 4985759.838 4797376.885 2361089.659 2592363.5 3572084.365 3024293.693 2432292.99 2363715.5 2333606.187 2578225.802 3169643.719 2413986.293 2053647.563 3889779.738 3896857.853 1955426.398 2105917.649 1235770.932 1776119.317 Glucosylgalactosylhydroxylysine 216150.2495 196601.1715 224999.106 149355.5517 0 228457.1868 257763.6256 176279.077 192840.2765 278589.3257 102493.3372 140128.4113 250665.6515 240374.6524 209268.3672 236775.3608 201764.2036 247295.1922 171049.9952 112014.0188 178707.9252 58681.69884 303685.1816 165596.4715 134682.0175 151039.6609 108261.7963 92076.68707 132637.0972 78312.11594 161306.6282 112987.7047 206654.5896 75480.59091 94879.87843 301636.8638 221995.7501 164077.765 131936.8956 127167.5278 293984.0871 195728.4766 198856.8303 200173.4188 201328.4633 179172.3577 268185.3523 0 145475.6465 107644.0897 119132.6714 148410.8871 144316.1504 84933.16948 89449.55309 219995.0568 218917.1813 164274.573 207068.9427 188598.6833 194596.0712 140922.4246 174088.5292 238808.6371 131403.3722 83274.26069 177271.1414 117443.599 CDP-choline 2970144.841 3147306.422 3425768.251 3433920.652 2905546.149 2183803.774 2077328.106 2678988.223 5593564.796 5732630.475 6066924.853 3774112.524 3712049.349 3631067.884 4239318.117 1802951.779 2258301.177 2096792.022 2264302.165 2044029.138 2403826.43 1889729.415 2347620.825 2586635.512 2728053.252 2497149.194 2590408.719 2850428.74 2618164.383 3217996.484 2741241.3 4237485.532 3854701.996 4286669.314 4343167.038 3097926.219 2450252.902 3140848.345 2345649.816 4839592.549 4506941.849 4283764.299 5170049.267 4312536.318 4389847.984 4003569.874 3786937.059 2794324.618 3117898.184 2905212.098 2919225.434 4112819.182 4502638.671 5271317.455 4619915.666 3753388.539 3358707.981 3386978.687 3193600.44 3618825.125 3003158.84 2822635.737 3876736.64 3878031.888 3967330.078 3642250.81 3488724.915 4456371.573 dATP 105372.6891 121552.3957 126318.9542 115244.9509 162442.8608 112391.2788 111690.4253 187439.5825 69970.43357 76967.6671 90876.41125 98483.15626 80451.18549 84379.68064 78870.51411 89371.23838 128451.3706 95028.08441 114314.2471 98963.06022 91140.41459 74873.34946 87323.53184 102934.5542 134737.6084 109395.4608 147301.1697 193101.3233 161418.5236 96674.82153 71587.53437 127325.9808 86908.28666 99741.78628 105481.479 64923.88329 45361.78336 54458.90078 43833.6425 80816.44359 66860.84951 63197.49686 73404.98775 101749.3429 105939.0976 84423.72863 75841.48058 156301.4577 182210.1818 185226.7846 167152.9876 95099.17134 98638.69689 133440.5919 121965.456 121714.0369 102060.9829 106135.8072 121409.7327 156780.3248 108172.7403 65785.67562 100342.0791 116795.5062 83321.58388 86455.74057 60576.3942 93708.65182 Arg-Thr-Thr-Asp 42877.45552 51564.52485 52994.17092 45208.87318 60951.60887 50146.57047 33789.21142 51720.32611 51438.77569 75227.5823 66096.60545 56686.96873 53568.8967 55996.77387 70879.68503 35426.10985 46927.78346 36558.55743 42307.90185 44753.57047 42258.83019 40075.80796 37713.95478 54209.16799 79050.65059 45240.07182 64797.00492 82381.23585 46816.62258 60231.52003 38465.22449 67554.1621 51226.80525 67380.95148 56001.79594 50728.07072 39765.82499 50132.50201 32401.93533 59244.32908 55145.65355 44457.44334 73618.68964 47831.83548 68898.47964 56982.67504 54833.05068 47427.59943 50483.2077 49166.0704 59885.20185 61648.2681 57518.19693 90669.95201 67193.07761 42359.41474 42866.3742 41166.30896 34061.71193 44381.18436 37143.84971 35418.56678 44024.32348 51489.20898 63165.71892 56163.00653 46890.90856 58656.56773 1-18:2-lysophosphatidylethanolamine 0 0 0 0 0 0 0 0 0 0 0 0 13814.23479 14080.45245 0 0 0 0 0 0 11251.75993 0 13818.49751 32838.33092 19387.25345 20501.23772 21563.16294 0 0 0 14329.63742 16580.81422 15753.6948 0 0 110618.6354 107557.8252 115406.4574 97473.51352 186075.6808 149812.8527 153607.4363 164587.8006 83919.07497 64741.96151 75269.50149 68614.08965 0 0 0 0 122922.6389 155723.3228 191904.1256 181307.3548 0 0 0 0 0 0 0 0 0 0 0 0 0 LysoPC(16:1(9Z)) 213089.8667 157605.0597 194118.2775 193950.1781 269424.0973 207346.626 177921.7685 315686.2773 206921.0256 204631.4465 218643.7139 212463.2397 176665.2064 219567.9546 215861.4689 153224.3231 146737.6415 174305.6508 169521.4869 191933.657 257227.9355 282237.0029 176220.3087 287093.9183 227047.2168 158894.2626 158657.1435 179918.2846 165380.799 181527.96 252486.4713 166130.4026 176849.0433 211721.2003 218994.9997 612757.9563 624462.5153 802876.3615 628090.7827 1414208.689 1127145.154 1041470.143 1165948.704 559579.8004 536509.2034 495749.0415 524444.5352 155229.7458 139832.4156 177723.8116 190543.2621 1132922.418 1011452.311 1172160.467 1227316.913 170087.6465 163855.9735 209707.9581 176995.5429 198093.3427 146016.5495 134383.3238 149132.9688 194330.3456 167135.8707 157772.5695 246757.1739 191109.5009 PE(P-20:0) 308672.1178 340218.0434 324055.6007 308560.1842 231316.1127 276328.0326 252560.9799 158206.4732 330528.7568 270318.5633 325761.3582 355667.4475 269263.4195 297966.4563 219610.621 256012.5195 241582.4468 249602.4796 279158.6294 224602.927 191340.6443 216681.264 227796.8724 244195.6249 210581.2497 244048.958 233621.3947 208797.429 197945.6527 204672.642 259093.4035 172746.5077 235110.0595 212998.4588 236225.2828 196565.0664 285181.5186 218084.8186 244429.4683 218494.0781 212398.0368 239503.0096 223579.0659 233657.4902 237623.3986 261604.0694 266532.9602 314323.7464 350321.1336 296455.1052 262838.4697 222337.6256 275228.2739 219097.8574 220746.6431 208120.8449 175921.6876 148376.796 146168.2189 196849.2187 182791.3222 328408.1204 286982.9131 310396.0556 361444.879 303673.281 354119.0202 354261.7663 LysoPC(16:0) 1282496.065 1016864.754 965861.6867 1100529.556 5084880.412 5608854.523 4573174.176 7932121.409 2212461.495 2384010.611 2126812.288 2182250.805 2155111.853 2468376.478 2083435.067 1207775.393 1625087.393 1132849.495 1268846.517 3121935.266 3154986.358 3844704.11 2243251.225 2111486.553 2006785.601 1634452.993 1397785.84 1764079.751 1526377.683 2043389.688 2214292.604 1569744.626 1525251.9 1425542.222 1647727.8 1301745.997 1320937.993 1567082.217 1222133.309 1688327.693 1292503.304 1253855 1415614.504 1065181.789 1191408.351 1038066.616 1096968.143 910860.2481 962779.5142 975221.0819 979532.6715 1739306.643 1255475.45 1419114.163 1371534.459 6069528.928 6065280.274 6332641.356 4928456.885 4850941.661 4604156.144 2169145.746 2768579.116 2962850.378 869037.7978 1037305.008 1069659.479 1064738.074 Ala-Leu-Phe-Phe 1739282.719 1739583.191 1625737.361 1368747.209 1314294.702 1074223.75 774939.7471 1315120.725 1146508.936 1374959.113 775199.5076 1252919.903 1190093.771 1232925.755 1455619.443 1243696.202 1078083.054 1375387.045 1337771.773 1404994.297 1467426.046 1171437.093 1321351.604 1021153.857 1362099.106 839550.7192 1598591.883 1745475.135 1356540.213 1210124.711 1291572.073 1460500.961 1603563.193 1394328.629 956704.4155 1027676.904 965637.0703 1510733.695 312729.1975 1024862.27 1138532.429 700203.9043 1234614.418 1049679.786 1854498.592 1282983.525 846427.0352 2171217.035 1466649.527 1904864.551 2333894.119 1098181.778 1254541.196 1346195.471 1072680.746 1103017.997 993396.6021 1038895.358 973884.5006 1229509.632 1144578.296 620555.4801 1032744.623 1255795.804 1310431.703 1643915.236 1243251.888 1292148.071 Asp-Met-Phe-Ser 1712636.27 1691448.031 1377711.729 1812329.311 1929636.047 2807859.647 2835372.611 2097683.927 2528202.749 2081273.76 2084301.234 1278370.056 1158700.243 1814268.537 1298754.961 1827299.417 1261720.037 1687409.18 1111778.5 1458714.24 1062257.162 1314772.424 2061559.667 2005627.611 1387138.796 2500031.443 1929160.197 1278908.621 1405069.057 2155653.525 2411200.705 1168463.371 2930293.549 1646940.582 1853256.268 1608450.736 1948403.23 957672.4317 2451123.482 1338261.824 1989570.746 2391473.937 1051293.639 1396983.314 1117021.906 2068033.14 2620577.525 1437948.097 2184121.988 2005262.917 1740819.01 1698062.717 2001448.35 1209221.105 1122860.083 2625625.857 2196846.28 2526103.651 2771620.562 2340259.74 3065796.404 3900703.589 1476434.09 990481.3747 1821014.944 1226670.349 2633802.702 1582068.469 Ala-Met-Asp-Tyr 1731447.145 1691448.031 1551937.017 1820247.34 1687733.058 3105079.417 3356641.928 2122752.885 2709914.683 2331322.799 1939011.298 1392501.869 1265334.121 1954712.407 1444099.32 2081251.332 1509702.3 1952259.616 1289208.926 1805995.378 1511414.852 1438758.7 2259620.697 1933155.06 1505440.282 2619583.38 1850382.904 1256085.461 1647222.788 2502930.246 2214274.66 1358827.17 2830815.78 1576214.541 2174509.336 1541853.815 2215187.478 1243906.147 2892777.65 1498680.767 2053364.57 2924755.827 1187565.839 1378773.633 1235895.726 2502512.912 2652429.259 1530032.671 2275512.284 2056451.269 1931284.313 1860567.869 1875235.359 1096466.225 1187996.916 2563481.672 1994725.875 2556612.426 2953199.036 2783859.13 3250187.71 3832691.638 1515736.483 1856478.118 1998864.285 1261081.455 2713129.358 1608525.095 Ala-Phe-Val-Tyr 148174.7412 155712.8239 109483.6368 68908.64992 144555.517 133235.0964 88274.31881 83559.38794 207265.6213 189362.216 51814.33857 55377.98903 147518.3509 225563.6066 151802.3565 198740.3277 110583.5099 160053.2083 73073.82301 91061.62223 206525.9271 89904.3413 186713.8617 75533.75243 88313.38355 209223.7967 201393.6362 81505.41379 76573.15915 161618.5239 252802.4548 96154.37952 194654.1668 124918.0357 118920.2181 95162.45315 163649.1916 62569.76121 43882.37797 66801.46776 170000.2008 117834.7893 132409.7016 77219.50474 118514.6734 122946.2038 102215.1908 211695.9389 161229.4783 71002.19147 158610.8141 132157.2729 177371.8985 76995.46248 45702.97555 72576.12957 48627.92524 66600.58316 97256.00383 90637.06175 156158.8645 66235.87428 94311.23555 67258.665 109482.6327 76774.15352 156145.8139 160481.3596 Cys-Met-Phe-Thr 187882.9225 194434.2853 179265.2474 201112.9547 164928.4065 290386.0061 328936.902 277752.4001 304774.3039 259584.5171 228607.3434 163275.6576 130831.8525 191187.4503 153388.2343 209688.4883 144306.7483 198472.8292 125052.4935 177733.9458 162211.1727 153389.6603 228794.3297 219716.1111 145450.9237 288628.5596 187636.7811 136559.4236 187658.1348 248708.8172 231205.4706 128546.3009 324290.2312 156972.6305 195267.31 168064.1149 210342.5795 111686.4036 280070.7019 156084.3922 203565.2431 289925.4795 115548.0288 152753.8815 125308.8524 218810.7349 301340.4153 181265.3329 290798.8894 243012.1902 205441.8404 197844.3751 221645.2522 125584.5332 133641.3437 272589.1375 240636.9209 261144.6991 299392.6044 285857.4468 354203.4289 441762.9645 177011.4656 204839.9647 228156.4855 141861.4717 304444.7332 179749.7957 Cys-Leu-Cys-Tyr 405625.1935 456796.7492 355286.7406 469327.8328 502189.1338 957596.1724 910499.687 599198.0292 780212.2392 509551.2932 564083.54 361803.136 384308.3178 733066.8128 436917.7563 551438.7517 363938.105 479238.2744 311339.8321 330249.8668 439106.9147 373301.2821 614737.3401 469615.2424 424539.999 887137.2809 533155.1706 309365.4869 414265.5522 661151.5663 627867.2689 296403.9714 756992.2844 422129.1417 529377.8408 386365.3593 623385.9634 303657.974 804159.631 301628.6279 571237.0862 649673.1053 292722.7841 340690.5434 342467.2483 828931.2963 803754.4363 406074.0305 668094.1007 563179.9072 562476.2366 447787.489 536867.2012 283020.7663 323586.6427 871250.9537 561314.7682 731764.4019 812550.638 672934.0921 890750.9923 1099718.746 462335.6654 510756.9753 595955.2147 331110.5798 816774.9898 535951.9815 Palmitoyl-CoA 186113.4769 159556.8996 186061.8134 168904.8402 361948.3848 177484.1354 179957.7657 221801.2037 135319.0676 175921.8947 199819.1809 226690.2205 218727.1872 163355.3822 246939.8696 246413.143 337960.3406 328037.0673 387770.8752 308000.8081 307085.4114 280169.5269 247081.1026 220009.7333 286351.1422 164577.7053 318742.3315 333981.7116 279677.5833 164725.2756 152717.1864 289831.707 144624.8239 211861.0747 168990.6512 85238.83075 58455.5843 137548.2609 56692.35052 109526.9558 122705.0654 109095.8958 153131.0399 135098.4936 144120.635 86346.19488 75339.44617 331040.2398 243775.5065 264083.9561 400202.7373 143404.4724 134124.4006 209285.2888 186126.6145 137841.6973 148703.8925 136923.9121 160438.1117 217892.2279 214836.7044 124642.5392 243884.6427 277748.8451 91125.27628 139614.9308 65357.96736 127888.0724 LysoPE(20:2) 44076.57103 29350.91962 25867.9944 42727.24671 27766.56983 26470.14761 0 78141.93742 70939.47203 60028.54132 66404.70292 67378.28153 61946.01523 59222.1205 64267.2718 36820.91165 36839.86063 40485.12129 30844.32626 85172.1557 68887.57587 80999.16024 70861.01259 87615.06127 103184.1827 91420.22415 56440.12565 72774.12802 63612.32416 79512.90217 78779.72373 50922.91336 54098.49105 73911.22608 72224.49243 316045.7319 374602.0391 392822.6443 299918.1028 611728.8969 567364.1217 440512.4101 476858.5867 207800.2849 221608.0346 180275.3257 210225.9663 38354.48608 31701.48329 26221.80241 48932.05645 465085.7225 414717.582 534996.202 495675.8313 21265.09595 27900.26856 31133.86844 43896.21292 41450.2153 38004.15568 38343.80459 49323.15676 56631.11063 43520.75428 45983.76302 46617.82503 63218.08481 ATP 6878560.994 7163696.277 8157551.005 8178409.895 13750907.83 11874114.26 12414323.11 15535295.32 14996130.66 15396315.32 17371709.2 9838702.319 8634044.981 8543899.245 9609087.924 12947954.09 15383963.2 12395319.58 14966527.57 10670322.49 10081880.76 8689681.278 11402519.87 12071607.27 12668763.92 9778587.878 13647910.14 17266797.6 15771715.58 10145787.9 7350375.074 12920983.22 8054145.778 10379333.16 9982813.911 4926213.687 3617655.441 4569831.141 3630372.582 7000076.207 6446068.078 5724590.343 6922520.197 10031902.47 9016227.413 8863004.565 7881623.4 12698812.11 14826957.13 15615550.29 13901280.96 9533870.582 9718617.304 11272806.08 11015921.81 10681963.18 9654529.588 9604430.125 11138574.37 13097520.91 10304424.06 8529810.583 12131905.82 12580596.87 5975817.676 5856204.963 4770864.791 5979373.611 LysoPE(20:1) 52329.42085 75715.61945 86493.14307 57336.05769 63306.98899 94667.15258 63323.07511 89058.5606 78522.95267 84653.8416 62368.67611 88594.69408 81471.15884 97269.61478 60435.94354 44883.57124 53471.68739 55823.67003 45096.04534 70422.76258 90618.79232 118008.9958 68822.18913 74539.68182 75188.4731 69205.1862 51355.158 83028.58958 70385.26761 71710.14576 85522.01962 76450.56247 53394.57 83025.81927 63295.92466 283589.0982 222812.0461 344870.3096 311159.9455 399545.9473 225510.1488 300122.4831 315228.9686 151970.6889 194505.1556 164907.2993 230439.848 56301.72881 40184.04958 49249.56927 42278.21115 381711.2289 368760.3527 364557.0939 410514.2217 56920.16465 60714.76126 62344.13706 59500.50107 87993.22042 56074.09457 66968.10451 72365.90426 62652.18366 55614.95942 52837.23873 59146.34644 59966.9174 Gln-Met-Met-Thr 0 0 0 0 97316.00253 52931.94707 62317.71137 68728.28634 76764.1264 63013.52637 65417.63108 105695.6463 64671.33859 80315.14022 85769.05425 82532.26412 91343.46504 77370.13225 73284.28445 187672.8253 149750.0232 137562.7132 184367.4585 107565.6721 117100.6562 110650.4972 59071.88772 50035.43815 51598.53565 75503.03521 63149.01247 79251.18782 91976.69628 100846.0447 98097.49369 140596.5442 137079.4055 144759.6205 127895.4242 0 0 0 17504.57095 90398.24402 71258.64602 75882.55922 94085.90978 41652.50123 52194.60884 55885.53809 56608.88225 42107.57106 40420.85896 39477.15097 37188.70279 43163.53333 60107.00536 53083.02576 57742.28062 74844.37178 47595.46325 0 18256.83929 0 0 0 0 0 LysoPE(20:0) 85108.45471 79691.82124 109786.3952 95839.79372 334087.8917 347178.1317 360275.9575 445009.4844 174086.7041 175852.4557 165740.8407 219224.5041 160786.4607 148011.7511 161586.0703 79265.74811 113138.141 82986.67205 125478.0395 218329.8802 195869.6517 289439.5616 208913.6329 171390.7446 141447.536 129652.7139 97876.03305 112088.2271 108190.329 163908.526 148032.9068 161127.7737 108530.3076 108577.4215 98263.97374 112084.3263 101883.3675 184359.0596 103901.972 109236.5864 95411.31374 99006.42286 128717.6908 79876.03464 97614.15917 97337.59208 89590.05683 92572.5401 61560.78108 93585.21456 71412.65257 113925.2881 96775.41036 108226.552 137297.7268 447537.0645 530090.6953 501065.4973 328513.421 389762.52 331719.9208 172400.3743 231561.8218 199897.8838 86150.35426 67197.5443 67938.27539 88888.66543 LysoPC(O-18:2) 226042.9266 227031.51 253744.1537 262339.2966 159674.7544 162953.1078 129249.6728 218221.5072 172366.923 202188.0773 158669.439 268490.442 186915.2503 186900.4765 223481.5418 254782.0291 310735.5577 277117.1243 263192.6594 146087.18 141666.8653 163195.1582 154361.714 168131.9846 146207.2809 138314.4056 134167.8944 154925.1436 176820.5613 149226.6157 159286.0486 156325.693 127437.3888 109116.3922 130494.1875 160398.0081 173401.9225 245325.6906 153819.5274 201293.2483 154519.1014 158728.6657 209173.3426 157936.6997 148818.7275 155201.3797 150434.2082 188609.4092 158724.1039 162312.5453 191416.1373 147111.8381 174906.8262 128712.8032 189570.3063 138193.9162 132577.3046 186558.6678 113153.6605 162483.8759 120881.6839 212217.0677 281593.2598 303420.7823 212482.7422 212409.1618 192571.5123 210437.8231 Ala-Leu-Phe-Tyr 267407.0707 386307.8715 258500.7561 119754.1132 267539.2974 254811.3569 169237.3795 174082.8519 290388.2232 297086.8627 97263.96208 171357.6685 274144.6382 315078.0027 170012.914 273487.7097 154547.0649 326117.4913 126856.3977 244571.589 416593.0648 126533.5467 379737.6475 160423.099 135988.3823 207483.2607 352436.6131 148469.9316 152748.4706 201890.4807 435787.3167 184593.2312 323042.2415 184077.3664 179641.0053 250247.7055 332351.849 186561.6361 88151.65563 152305.9549 254765.1407 197767.6743 241721.8788 159493.2355 324890.9706 241566.6807 236176.2697 450105.4007 273902.9088 194481.5926 273568.3006 251918.8217 356026.2637 146782.4844 92070.75085 158660.3529 112320.3234 146435.8331 185886.0775 162505.4944 272954.3676 139421.6401 185384.2679 132595.9964 20837.23117 147547.7187 241383.3347 266424.5507 [PC(18:2)] 1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine 131865.2101 103045.8721 592988.0211 108621.0849 932547.0229 64952.9783 49555.3387 162717.8652 68665.41655 168165.1688 134261.3867 109764.2942 441949.6934 96691.80908 199036.5565 104857.0684 229525.4608 99279.15018 369804.0158 89999.62374 141518.3751 141464.6228 141299.7633 56398.24572 249662.3816 57194.94563 85368.8069 539467.641 117789.6614 156025.1177 68527.25042 592942.2507 63094.35957 133745.8032 105910.971 396891.3211 101836.5166 799267.4613 23405.71789 984196.2613 423552.9029 208989.9483 2339006.177 343578.3884 518138.6401 137795.7115 57307.22676 560923.2455 88509.33487 56639.69116 151757.6808 509697.8549 557599.3168 1057133.072 646158.8889 55939.6244 86147.47017 63401.94679 92622.24337 133584.9323 99111.30897 8733.469551 126770.1158 117137.7986 100690.7412 408639.5912 42189.20284 124574.7658 PC(18:2) 2736746.538 3028969.87 3686412.595 2622832.663 2617843.982 2572527.526 2175559.926 2861306.734 3215021.154 3721263.366 2965318.93 4735752.097 3311809.77 3713680.363 3906842.918 2701066.283 3634510.893 2861039.753 2787695.428 3884135.28 3678212.965 5492170.402 3150037.053 4786213.306 3380680.565 3613832.145 2972811.621 3503906.457 4126643.095 4237114.698 4251174.798 4297158.458 2873609.171 2662736.432 2868989.671 15153617.32 14839705.59 27053201.91 14731477.61 25191902.34 22156994.98 16854894.34 27228579.44 7860819.097 9215114.782 9098860.606 8608159.067 2101897.289 1796588.627 1892605.382 1829555.646 22304844.16 18800559.57 15878898.88 22889370.46 2070797.728 2306072.495 2026460.281 2390526.087 2955666.182 2398883.992 2513280.753 3129364.447 3307812.591 2344955.504 2395828.498 2149809.044 2889226.825 LysoPC(18:1) 688273.2715 642785.6497 987498.022 685674.1866 1244856.704 1247342.97 1070343.393 1487542.38 835427.6069 804747.3863 850143.9339 1087162.089 995719.9212 937658.9402 899767.0928 695255.4431 903328.7485 661035.5401 796645.8475 1397167.102 889388.4141 1548372.204 1106320.079 999451.141 686741.9189 709085.644 641844.9694 701724.8485 824693.1503 971583.6135 877591.7391 1113264.335 622195.8869 719143.732 801217.9923 2167357.774 2325926.387 4703231.213 2874844.721 5114562.931 3917208.431 3329346.616 5145043.146 1576101.903 1988422.717 1744945.74 1754678.856 596968.5294 496250.5463 571504.3633 581900.0658 3232500.573 3874009.463 3789750.735 4002191.914 1152012.087 1343464.837 1135259.31 1071939.274 1405246.983 979101.9504 830385.4332 908206.06 945573.5737 595569.2766 627059.4169 560045.5888 857837.0863 GTP 1022208.431 1122398.902 1382388.594 1166130.611 1716845.076 1110343.153 1115946.632 1747060.755 1974301.217 2356915.845 3109213.599 1758839.662 1242261.741 1319291.959 1684471.6 1281684.402 2244051.293 1468371.607 2011567.345 1462772.246 1403441.41 1160742.248 1235900.006 1671057.242 2065782.451 1129443.473 2246111.836 3191147.436 2548929.951 1702947.253 1173971.002 2593739.945 990819.7979 1630082.637 1396490.266 902619.2834 586080.821 1011969.75 531332.4219 1110060.535 957597.8397 813796.1873 1215769.093 1510748.082 1713448.001 1301401.196 1064736.612 1821041.614 1817812.745 1930500.034 1958111.141 1287453.589 1282490.377 2019378.965 1720574.848 1260718.349 1225047.603 1190515.491 1110161.882 1421368.651 1087807.194 659735.1979 1419082.347 1339799.494 1201633.394 1323337.327 817019.4944 1260735.814 LysoPC(18:0) 1384322.685 1495745.384 1835920.585 1349609.106 7596249.096 5418650.79 7122135.615 7434002.428 3107403.594 3528038.741 2958287.973 3042687.674 3033026.987 2808012.995 2563835.364 1867885.902 1874985.33 1587022.347 1655729.875 4367455.334 2918009.75 4107916.479 3745793.862 1669040.759 1868003.962 2233680.384 1883289.546 1710877.953 1836272.179 1962073.586 1819345.725 2401942.747 1531045.923 1527178.089 1652903.224 915941.457 949709.6682 1745614.723 998342.6249 1247063.394 933027.0106 853447.741 1238501.413 977367.7367 1107021.683 1125748.713 931971.7243 955342.7783 963864.3745 1066905.6 961478.6347 1015831.763 1194592.255 1185025.254 1107114.736 6308903.838 7969350.542 6913736.259 6489229.561 7279589.925 7141328.362 2777860.788 4331128.507 4179167.445 1124930.51 1182154.041 986586.5532 1243868.301 Cer(d33:1) 251990.543 238313.561 276510.0451 235244.7414 290696.5654 318589.6056 350553.0375 271554.6579 522377.6857 346325.6068 307652.363 310082.7239 267186.4447 298869.634 246413.143 348721.4091 290357.102 235643.2044 274444.4104 306213.1443 250701.668 297959.4143 226080.259 254388.6539 290588.3513 287600.0251 252334.3039 256620.8609 251457.7976 234765.0717 303756.756 203216.7486 287262.5184 257686.9967 328176.934 204654.8318 269475.5339 275224.9367 417884.3022 305727.0163 388958.5547 370393.3953 248552.2018 246413.143 284735.3415 278363.5262 309665.8698 268633.7779 421833.9206 339908.5012 292640.3167 258499.6258 369721.4978 287299.2053 240119.5144 278374.0327 275717.8583 231893.1897 253295.1577 310646.1103 306515.5911 340004.1004 279499.6124 358828.3893 322219.3756 240142.7747 295072.8466 211078.6023 Glu-Glu-Glu-Glu 0 26817.73707 0 27496.28712 61410.72497 129063.6712 151030.2262 85689.70401 110100.976 73267.0256 75843.36671 28854.4392 21272.08719 44845.31494 21162.60636 37418.90182 20525.34641 38854.72706 15902.79768 25603.07651 19203.35423 22857.23965 48069.42991 67534.75447 47269.88762 93605.36136 93122.5964 72425.98775 101309.4932 71002.71436 66117.33011 29484.21521 83190.99655 36499.71116 55228.82772 0 15977.18067 0 50047.49717 56525.98097 72560.01743 94841.67966 58296.77282 30582.31784 17827.02593 53663.57722 63784.48231 22208.93003 76245.61991 53230.01393 32037.39427 63593.82036 67530.84619 38425.84153 39510.54176 113298.9216 118991.499 128244.3325 118573.9487 94084.43037 163985.7801 125151.4509 56139.32452 90212.93436 28123.36872 0 51395.33602 23479.69239 1-4-beta-D-Glucan 71511.83718 113572.1654 79385.05567 59051.45759 136073.2714 141145.549 93595.54744 100149.604 139715.1697 84464.5892 114085.2272 49468.60689 74153.74542 118724.5919 67090.89306 146615.9341 134445.9793 76402.80569 82303.62711 98240.51777 196069.314 101750.989 137562.473 99355.42921 69917.27629 65825.83102 84935.30073 41881.34579 54107.472 99078.58129 123853.9807 41194.84314 81464.15904 66489.69461 100823.1068 22408.52219 52434.54112 97535.86725 71347.2362 93095.08977 84641.24766 77373.87724 71085.20179 34690.5755 96666.78199 63747.21601 72008.15379 64403.21352 128595.8428 202855.8438 47565.68346 49390.73107 88225.40267 74052.73833 55522.83293 167817.5139 248737.6073 189294.983 123844.1443 254504.6141 154185.9652 170287.4557 114799.2827 71095.23221 94856.94282 73071.34903 73096.76363 53634.23457 Arg-Lys-Pro-His 135543.2348 119512.0809 128076.529 165830.069 135254.0165 176243.2043 246413.143 146712.3247 193524.256 167675.2433 180928.2395 106900.9336 98870.15791 176149.1164 98753.95496 162871.9534 185013.5471 155312.9819 106987.7503 116689.4541 124896.0742 105929.9423 202331.0921 153477.0207 119536.2844 181090.3943 133956.4332 118756.3187 146779.2388 199009.8914 180397.3228 120219.1355 215299.5555 142450.0214 170798.0741 153724.5621 291358.2282 113655.776 268482.9481 103434.6844 160082.8151 108271.1713 98541.24061 121834.9288 112115.4205 177561.4255 248002.7169 136819.7402 222393.3326 161521.527 162680.0552 104575.6825 168464.0422 86797.61433 87237.8965 185239.8337 193499.3004 190433.011 235418.6015 184760.3754 186155.3539 234964.1482 133697.8538 165603.651 131940.2248 127940.3699 151867.415 159282.4765 LysoPE(22:0) 62726.94773 58919.3452 54792.34959 59442.29165 230615.5256 231967.7533 191829.3822 181887.4734 110873.776 116624.6467 135627.5122 94865.24283 80301.76232 108566.4318 102728.9053 71574.00461 62915.55928 91322.55427 74602.05658 134769.9179 89951.19274 144446.486 104157.991 79150.97019 97945.95208 63610.41132 66023.15299 57416.22727 67232.63819 70296.10783 47360.82864 102231.3922 78956.86784 37594.8454 56918.83533 29347.91752 42661.65255 39037.52369 37911.06314 0 29500.17908 0 32390.59562 32489.07824 37243.77051 51786.76123 45801.87086 26876.48263 37295.46914 0 0 32380.43592 45772.57672 0 0 241879.9065 213128.7028 209706.9915 152060.9562 185452.2889 173971.0707 104165.7189 168234.2077 113876.5394 80793.73286 79812.47155 73853.7606 43154.0491 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 5497986.102 5286410.852 5677399.007 4916662.035 5806360.736 6084052.568 8120477.944 7216990.112 10165817.41 7019378.106 6936075.163 5174005.626 5186763.535 5806518.147 5716342.371 6162906.195 5399203.36 5522294.129 5383834.477 6435346.596 4498153.924 5415063.707 4508866.541 4329147.352 4566507.931 5324152.082 4555714.553 4105026.73 4805493.99 4882817.829 5376869.716 3514143.266 5590868.081 4705845.546 5874505.725 3421030.065 7541722.081 4852968.548 5813143.752 5561121.274 5920464.956 5255297.33 4700994.791 5615634.781 5811148.174 5212494.45 5093120.231 4243105.391 6034964.595 6323559.427 5638713.636 4706422.538 5667799.321 4167108.221 3769821.927 7701026.945 5626697.241 5602751.672 5664434.795 5604358.575 5550824.213 7521960.943 5898144.822 6217042.418 5988335.039 4446167.449 6229657.406 5067820.028 LysoPC(20:3) 246322.2195 246413.143 242273.8232 210571.739 252941.4286 258411.4237 199628.5142 199674.507 335929.7727 369583.9911 324972.7865 237710.5842 272575.3084 316487.2096 288977.2884 310230.4387 152117.3431 170835.6913 196124.9638 343607.3664 333330.1322 397372.5883 338005.2794 323986.7839 275563.4816 298313.8184 332228.1099 254540.8521 260969.3771 287878.3605 265285.4696 390750.9246 201978.1622 207999.5848 257283.2258 1098716.354 983042.2349 1429830.27 1202504.02 1897447.172 1787046.154 1539098.207 2235522.741 684842.4674 867870.8089 813886.6297 726409.3788 167309.3725 205905.6125 183815.3711 194903.5927 1675831.739 1817844.502 1648426.523 1480969.644 221731.6945 197213.7604 162263.7239 221864.4258 262783.0779 303671.5268 215653.6208 256259.322 234813.2367 247512.638 208227.1445 228131.0765 220797.519 LysoPC(20:2) 45906.5941 70302.33159 41931.7149 32999.60562 78033.71995 111970.2131 73919.35938 44921.71713 54564.50431 81437.35562 121551.2267 55138.52898 52903.68477 100089.3895 113935.3622 88582.41471 68320.05488 69204.5367 44743.45149 98570.59238 89144.19219 117328.168 83862.42022 72367.31736 93406.55279 69053.72309 83020.15585 53749.80909 78807.44304 61278.17169 47693.61459 130140.1633 56890.45581 58731.51165 41660.36548 314175.2593 254132.894 294229.5247 311839.2149 501964.591 454892.0905 449813.9145 552767.9763 212325.2391 275678.86 217575.7629 208519.3008 31055.88521 32984.03307 0 0 455107.8351 528206.522 525698.8264 330940.6157 35797.92175 31298.70751 43496.98952 64408.4207 52789.50487 59931.2681 37092.95888 94520.30113 82691.48007 41095.38054 33523.0286 35307.48243 40939.15552 Gln-Leu-Lys-Tyr 208801.1281 219193.1683 198817.0807 226973.0851 212907.9112 365015.7634 460928.7289 213942.3706 345877.7608 259979.6084 276938.9147 119299.8369 133968.165 196833.8712 119592.6299 255521.7044 171454.8312 191397.3364 144554.2195 222592.5972 174163.0274 166214.3298 333366.0378 202317.1199 163201.8745 330108.4108 237716.7555 163477.9066 199295.1852 286439.6969 308613.0052 117340.0436 311331.3979 185778.1617 281246.3868 197460.4152 246413.143 128535.9722 374197.5383 174562.6742 242833.5456 356511.8718 138373.8648 152077.5821 151828.7532 276401.4852 336798.8948 191091.0782 302225.6922 288533.5812 249642.4836 211035.2825 218265.8517 105673.1156 126126.2031 336939.7992 239281.3582 317208.5183 400231.9929 296110.0289 292248.5692 572477.2123 193552.0734 255734.5946 261485.7622 149494.274 344267.763 221966.6959 Cer(d35:1) 382205.5302 402819.5248 419345.8708 335807.1499 472106.8893 429220.5449 574751.7376 380477.9572 746401.1326 484294.0286 559376.488 339520.1859 283028.5133 370295.6289 420610.0181 377265.1605 394078.886 397859.4854 361510.9344 335174.349 344217.6633 374486.1403 318447.412 332625.9871 347988.663 308021.965 323431.7935 328912.4332 321049.8978 353014.0626 471478.6368 242614.5364 445772.4795 348930.2885 378899.1244 358019.8989 424420.666 356150.0215 485759.3988 405691.2497 466799.9484 456242.7047 413040.7795 381266.8516 508625.65 377103.7948 450011.3797 339431.2585 423256.5416 441585.0468 457106.6675 407375.1367 446181.292 408567.5152 332119.509 516768.4628 396923.9584 385293.892 408619.3386 378066.0807 324112.0209 532554.8737 405284.7826 424115.1347 443831.7273 284749.9989 487628.3755 375500.0842 Asp-Lys-Lys-Tyr 107094.218 91337.98899 87205.11491 85013.69825 76597.80033 113379.8014 106882.095 75738.73348 107656.7797 86792.75734 50887.39924 70290.24036 65095.06706 122207.5673 73622.73796 100542.4101 60165.98701 83509.6145 67588.37729 74477.8827 65401.05047 54114.7138 91479.51307 78038.68475 63770.13419 104707.6962 87342.28154 69867.76685 78068.2076 92528.54077 85472.12665 75698.41933 101648.8514 80497.49199 84605.04557 54079.82308 85787.03654 46187.56941 81402.42285 61014.79467 82880.55661 107343.8929 65148.36809 47104.10729 46908.36816 95141.2141 87179.51981 67675.77257 76133.95339 76525.16573 73082.27007 69175.10822 89270.05073 54623.48317 61306.41347 88172.83139 106026.5599 103125.8004 85980.19896 109334.2945 93173.75604 140826.7009 107480.2433 85384.03825 74702.94551 53429.89344 89846.53706 77257.90172 [SP hydroxy(16:0)] N-(hexadecanoyl)-4S-hydroxysphinganine 284630.2178 300369.3138 281742.0061 289744.1312 299311.6474 364252.5578 521459.124 255914.3868 646706.6458 449005.9344 332142.0895 267270.0361 209395.9913 324354.0973 290235.3129 296081.2877 256269.5682 376989.0448 233722.0708 244383.3707 299713.036 242261.321 237263.9993 269011.6839 199269.1247 263124.0509 294323.1406 178703.8322 257393.3502 212625.747 225563.167 185173.728 316151.5132 227904.9049 302148.1314 268335.9571 302890.2276 181891.3519 297659.8398 225093.2956 294267.2811 281494.7144 202308.4895 237609.7743 193930.2882 278690.3737 281728.9657 267295.1727 336849.8126 314614.7118 287261.3772 261854.0124 217601.9233 199623.403 186838.4649 359665.7924 289957.4555 314448.7467 393414.4593 370927.9719 282010.8764 471548.3238 306436.4783 314108.3613 306974.9812 191497.2607 398589.8033 260659.5618 UDP-glucose 22902664.27 24895012.46 24786404.98 25468842.81 24232369.04 21354871.45 21710376.38 26680181.1 41624773.9 43410663.49 40462055.58 30699710.24 29060931.89 28786964.11 31324113.39 33921499.57 34203938.48 32418528.14 34967877.79 18385786.44 20163761.52 15687566.2 23087620.56 24563096.52 25337527.85 20905445.81 20070456.09 27942120.59 24382709.72 22421596.63 18210493.03 24542649.69 23706483.63 26677459.61 27152414.36 21398239.84 16874181.35 20335702.56 17204309.9 23348592.41 25111260.97 20570934.04 26437434.27 27101109.65 26319428.55 26811584.34 24885185.86 22117798.58 23007347.28 26722385.35 23773205.12 27615521.34 26750510.47 29091112.45 26583332.27 22916165.56 23097147.59 21720912.67 21997119.22 24140528.74 20730848.36 19573720.6 24697093.99 29354726.03 21827170.07 21859055.69 21647276.26 24522707.52 [PC(22:6)] 856912.2875 743090.452 805386.628 844094.7191 817415.9845 950707.9944 760168.2635 797185.166 1344463.028 1681917.072 1469995.651 1147588.458 1051391.612 975272.8001 1037222.731 768400.616 602325.4022 729872.5303 615814.5885 1456795.019 1117740.613 1540791.803 1095333.856 1269166.275 957900.0612 963783.4936 1138817.122 1099211.589 909223.0875 1050471.896 1157299.761 1227898.63 801287.6803 821742.1 895398.2357 6326401.267 5397534.218 5565972.783 5889831.568 9370158.797 9816471.415 8501458.739 9757457.039 3610278.44 3582562.826 3874732.727 4584699.12 641445.9611 553791.1628 700438.2574 580685.5296 8330179.528 11817494.59 9272792.094 7255996.401 521622.8972 557783.8406 538677.904 725458.7955 762213.1187 786710.3427 774135.5053 1090095.933 912290.2817 765831.3372 817257.4941 902203.7372 877484.241 LysoPC(22:5) 755259.5565 722828.8057 881008.3511 707545.1894 861755.2699 816808.433 653955.3354 647753.6369 1062546.809 1040425.398 1319024.978 1060224.018 949844.9765 963401.5633 940384.9723 743916.2087 666298.9201 763500.1384 729804.956 1114583.413 1007154.883 1413229.301 957709.1907 1153559.641 928841.5915 854294.375 923738.4766 1041944.75 943826.7645 990332.8581 1026085.931 1035695.666 710756.014 666152.6255 891453.1921 5357224.194 4718542.292 5209695.549 4639003.661 7757262.61 8956514.694 7684541.161 7911451.653 3277090.136 3487249.037 4138838.221 4118526.573 628542.4753 488740.0853 559806.5841 547783.0611 6565838.353 10850608.66 7939449.44 6249774.398 483197.2971 507108.9289 489537.3463 716102.8069 665769.0982 670556.3277 730702.2082 829335.2404 858001.3244 685167.4061 789772.2077 883314.1011 792394.2346 LysoPC(22:4(7Z,10Z,13Z,16Z)) 503188.1385 533056.8865 599054.1702 563667.3906 536584.9442 647443.7176 528122.6088 489860.2619 829460.4258 979744.5977 1131318.063 1119141.94 890140.4677 705790.1021 839819.2467 507292.2808 578758.3615 602479.5141 547588.6036 939145.1508 862230.2477 1222749.853 819597.5578 892173.6539 726912.4071 810790.1422 762544.8664 825992.1011 766566.8438 924706.4612 1006444.768 831962.9807 600208.4516 636679.233 677661.0752 3461862.611 3277760.063 3520307.669 3238956.184 5120208.068 6321582.694 5221672.479 5779312.136 2353212.559 2731796.911 2772163.589 1913465.341 413490.4312 404200.8259 396994.2656 481828.6288 4861987.239 7555952.948 4802966.302 4867003.781 408816.8786 349265.5537 325908.1821 513153.8704 512334.6904 462545.1685 761343.1015 825719.6617 867856.5621 461008.8333 577668.0267 668345.4617 579611.7002 Asn-Gln-Tyr-Tyr 143450.1363 82765.32908 99042.46171 81807.69483 184932.9573 70204.76874 70530.97573 75673.98549 100219.9318 82321.71223 93780.39826 83980.24793 128095.8847 126689.2647 135436.8314 148415.6563 111760.6857 154435.2681 87570.03869 52741.8234 105700.7934 45764.77058 116224.7253 70682.31125 63865.56231 69721.84131 99000.59011 68338.80893 53185.31668 55692.29134 53423.79815 71551.70407 89083.68826 59613.65445 55251.1057 45145.81726 52030.49292 74751.52643 34636.26678 55069.07609 54642.7803 52351.31635 71187.13379 44923.45817 49997.82966 98370.13499 58291.25448 180092.493 119447.5464 112705.0624 203671.4574 74071.38663 85323.5447 51003.17377 56886.23877 72360.00855 76270.25779 61406.29497 66365.12473 68826.5595 57213.99153 62820.35385 80068.45939 109022.2138 112124.3944 103358.3781 122889.4562 93138.88058 1-(14-methyl-pentadecanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 326739.6574 339605.476 369623.3913 400915.5997 283711.3086 241506.348 194501.2531 227357.1122 365859.0757 375296.7983 318313.9123 236557.7731 368435.8457 389800.5896 317832.2871 356402.6022 362487.1708 375334.2101 373504.2656 327519.4955 312937.478 473724.8958 239907.0874 231199.736 267746.839 267906.7799 294575.8402 279361.5155 247684.3693 274027.0001 342420.3244 277764.5508 357209.3282 309758.519 300707.3925 230645.4712 305940.6697 332052.2521 266598.9826 316445.5035 266356.3915 202326.1476 256723.5982 248176.6804 247674.3583 184546.9984 312350.0147 363641.917 351906.4837 331059.8726 339456.2485 282898.6571 303916.9878 215043.5677 220349.2536 176234.4638 150915.2944 174950.5992 205062.7463 206032.6314 224415.0297 370752.3451 368401.5413 379992.0922 358152.3544 293329.2727 296640.9255 340594.6047 dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mannose 198491.1073 173646.3293 241383.3805 234802.9856 189994.3793 132546.1708 103056.0321 132043.1854 90635.50895 97404.42168 120304.2366 134916.7771 132847.1101 134413.7612 144076.333 114914.4302 127420.6402 104473.4595 125354.5614 75673.15119 78112.85308 67695.25458 78562.56145 112117.7587 141848.9419 82123.99704 100471.7546 120394.4142 100824.1193 101266.2811 65150.48439 118629.435 83018.96512 147891.478 143971.0735 87412.33664 51168.23422 89142.848 35718.29973 107607.5492 101541.5844 87537.73314 118740.2274 85436.54643 114795.5729 72224.24422 51859.2209 155354.3424 117657.2672 194394.7689 149035.7717 94654.93773 105877.9027 147803.0408 107213.7165 106563.9826 185676.1877 118813.8756 97603.08536 122522.0314 98846.30072 60570.66145 123984.8685 136391.19 200580.4058 270685.2122 163433.1776 222341.2814 [PI(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol) 38801.72244 36512.20313 40262.29402 45181.62652 38787.18736 34837.32537 36625.05976 36910.20473 61091.16615 53161.20497 51792.91054 42434.92588 53681.93885 41602.6611 44922.60427 74733.49602 73146.82825 71768.47578 72359.95481 44179.79055 37925.96878 41352.08987 49522.90056 44176.137 43371.93965 38058.66259 64268.00729 54537.59554 59175.05975 61623.03163 69316.11391 86813.2733 42802.01576 44786.52103 40214.40012 43133.50067 40011.79929 44855.9015 42797.28074 79454.30829 67745.82883 67244.12308 96089.19534 66235.86999 69098.38737 76227.16049 110302.4571 42551.22076 40228.75613 39952.25139 36788.42894 73880.45873 73646.37447 65906.07623 71331.93299 39347.91054 39122.56769 36136.11978 41526.48201 56842.71409 35823.90323 60198.29754 64281.00454 55851.10659 40411.2636 30980.01886 34577.42019 44821.33275 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 1703872.795 1561039.213 1815930.859 1858508.177 1748108.318 1610807.81 1651672.537 1534760.109 2055403.48 1905790.494 1659947.873 1396359.399 1548210.617 1708661.143 1620599.538 1793791.101 1614024.215 1650795.671 1481399.142 1548730.004 1636566.599 1852830.183 1688957.392 1229559.2 1311325.482 1706950.916 1725317.746 1618230.121 1418827.046 1599582.803 2140830.047 1294523.082 2279489.807 1697638.907 1679919.732 1755036.173 2248392.665 1674025.57 2035278.739 1866194.62 2265629.008 2075739.463 1663849.98 1628590.651 1592902.532 1668483.754 2361634.5 1838161.253 1620200.403 1743332.818 1856139.579 2031105.904 2265202.34 1213291.588 1406849.146 1324478.512 1169900.304 1536607.474 1663321.464 1445507.254 1842578.41 1903507.622 1634689.278 1498502.101 2002705.477 1403352.827 1866524.015 1730522.465 GDP-mannose 1025174.097 931114.8164 1060324.853 1170856.618 899795.2813 657876.9582 646862.2015 744603.3275 1938888.8 2107906.347 2374199.049 1658159.222 1567049.155 1501704.248 1684300.225 1493035.408 1977842.352 1641422.783 1897529.129 1138240.338 1183304.344 964877.4089 1179907.352 1310386.484 1580476.112 1214705.522 1428270.229 1935669.268 1424583.609 1252937.504 955216.2087 1625410.965 1376389.718 1508489.821 1491696.018 1253831.217 954569.0734 1242532.343 963455.5595 1274456.707 1036562.529 928470.7669 1281867.623 1526342.824 1510653.489 1415673.616 1240959.771 852353.9403 822858.4943 946844.3555 877219.1177 1526089.109 1463250.103 1792526.925 1642768.634 771382.3573 918575.0941 802886.2139 843488.7342 995204.212 896631.7382 649445.9955 966231.8823 1058429.827 1132725.538 1297025.172 902285.445 1187468.255 UDP-N-acetyl-D-glucosamine 5337579.964 6053808.329 6303527.52 6368734.93 7569883.413 6274611.121 6508503.7 6615115.622 9173741.381 8762074.882 9672994.96 6465390.787 5238270.878 6239407.166 6137209.073 8776063.896 9761397.968 9080302.918 9793764.588 3983968.869 4342036.8 3612885.715 4595937.771 6003081.704 5638005.184 5039433.967 5415056.72 6370306.268 6040876.156 5880082.104 4607384.669 6281023.484 6099761.886 5271499.903 6117793.091 4747815.229 4180004.29 4852359.393 4224199.857 5352332.246 5490782.306 5374727.528 5359565.124 5999090.028 5571385.472 6251141.062 6681134.467 6322258.772 6351277.914 7476909.675 8560746.272 6050609.971 6400803.058 6242467.88 5904562.454 6436160.7 6347059.895 6291518.032 5733384.533 6896738.474 5653729.614 5168388.517 6812363.216 7051520.897 5939913.541 5367702.544 6251465.268 6357306.191 Glutathione disulfide 17349.10457 14033.79798 11337.99014 10583.40846 31134.10736 0 0 12601.12293 83001.74922 77057.17446 27020.54175 19939.90681 64514.09521 68066.25297 39432.83351 20855.81799 19748.45048 25258.43212 14572.39806 25193.95557 88804.1538 28185.32727 96732.80305 18424.10607 20355.55928 30575.86744 73853.24944 48623.68937 29657.56148 30798.25999 25517.92066 35929.31973 37401.43227 27521.47237 28410.88318 73882.3277 60400.53753 82259.26226 44545.78033 19661.26152 25617.61622 31489.07134 76760.33942 34032.41906 42699.18631 91291.38051 58900.76458 13786.89198 17592.83796 14545.29638 20654.70134 68209.61354 53406.16624 18059.44798 26653.51651 20563.11017 21459.64169 21167.34703 0 18022.08871 22111.08179 10120.00197 15970.43202 20264.5291 12492.31042 11403.42534 23298.00818 13106.36593 CHAPS 2921421.255 3046338.015 3448179.553 3193585.527 3129209.954 2887793.189 2711298.234 3046862.891 1958577.354 2424891.59 2645678.941 1903108.512 1774924.142 1786659.342 1902195.184 2699324.73 3074442.876 2822836.663 3281986.382 1784732.093 1780264.906 1947172.438 1760559.333 2159408.209 2259031.248 2234303.583 2037838.079 2353464.871 2117751.868 2280385.816 2273175.469 2346963.963 2114975.25 2250813.938 2386968.168 1873950.854 1901563.315 1989363.615 1692562.178 2506645.55 2376078.929 1963319.142 1998075.189 2309892.521 2328732.099 2373450.275 2118735.155 3031786.939 3736497.37 4186235.691 3521199.755 2100059.737 2177663.175 2420414.95 2235310.286 3318230.005 3336777.965 3005611.701 2789681.437 3362143.249 2855282.189 1825336.819 2321933.471 2791791.953 2996712.204 2955130.521 2900613.518 3250617.598 Arg-Phe-Phe-Arg 310081.0038 293561.8416 272211.1775 321319.8854 337424.1095 618044.0655 678233.6953 430584.5265 469196.3434 344714.8541 332106.9213 284616.2971 214026.0199 318710.2988 244502.9585 319527.3506 266366.5874 277708.6433 228945.4121 312952.1968 262429.0808 274855.0754 455917.5399 377727.7425 274661.3397 404539.6149 302280.8883 222829.2768 291917.8565 425340.209 450559.873 232924.5884 497369.0129 260301.9615 387630.7921 264997.9723 385544.6391 179475.5139 657311.9676 307175.8627 380550.2946 575357.0393 159888.3674 287309.7095 189731.6515 405250.4676 560037.5223 208593.6391 424937.6356 423935.2824 374892.3325 329470.0672 333664.4753 198257.7874 224854.5058 571723.143 415215.4767 617541.7004 610596.3645 566926.4737 600536.7651 813888.4226 297851.4488 475698.5148 372260.8265 284284.576 496060.6881 307743.1315 Sphingomyelin(d18:1/12:0) 191848.304 169807.5359 138633.5839 254299.336 194429.1972 234164.5072 276471.2015 253330.5359 338156.7243 346008.528 285729.6841 251487.9346 184390.2528 298625.4826 246058.7133 218467.4821 173845.2388 164058.7142 176236.5307 252101.0405 197656.535 234692.8633 291000.8734 257572.6059 220317.2912 328237.5311 243844.0149 161335.543 217898.7424 252067.2003 391468.5262 174895.1513 306587.921 217039.9385 283800.7719 199863.359 289396.8476 166030.21 324162.7389 170793.1294 277211.0643 321905.9826 213936.0365 216077.9614 229824.8384 261830.5971 390512.6884 205783.1596 240995.8913 245034.05 205715.8996 226998.9669 246146.5612 164529.2941 161091.314 208895.7242 167336.7248 218054.5281 283488.9874 207380.6447 253922.847 538163.4465 271758.8878 331065.9263 213330.1691 140256.2294 213704.8647 211235.7726 PI(22:4(7Z,10Z,13Z,16Z)/0:0) 37572.71895 35934.8978 50610.56295 36615.18947 23506.62626 25740.77576 26087.72406 27029.04583 65055.17693 53356.15503 49909.62102 49911.00751 42342.18413 39569.94277 48665.9369 74312.42835 88256.77684 66762.07027 77655.10751 40276.35702 55568.76627 38299.87838 39179.70304 36212.65268 29785.00757 28254.79978 45164.99814 34158.92897 41897.87543 67484.0103 61317.97315 61013.36549 35444.67152 39678.65334 42881.92624 24085.95953 26794.23751 28992.28586 34383.16538 50799.72548 43544.11427 42377.22836 46459.88652 39971.85277 47199.65529 43207.88803 44237.41677 37297.43875 34821.3355 35864.9073 34222.16543 50304.50323 63551.92599 40907.72441 48333.38246 28989.65396 27862.05445 16394.76746 25678.38118 32009.24615 36170.8191 47315.87288 66161.42286 49349.88347 40860.44614 37824.77709 33332.1132 50764.66306 N-(eicosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine 865663.4528 1097606.69 1095350.259 916517.5326 956910.5905 984003.011 964863.5083 1044788.785 1177082.998 1254267.05 1242696.142 795072.0072 1079423.741 1175384.359 1341403.517 917655.2141 882383.0336 971831.7906 1063757.241 1118317.82 953341.9445 1499744.209 992085.3314 1148941.464 1160276.967 1116265.833 959881.3539 1308940.848 1011053.645 995781.8844 1203980.017 1077960.996 1035370.732 1279740.04 980204.7579 818566.8724 1012025.81 897126.5414 1000434.468 821613.2535 961335.9094 953164.0166 890468.249 932327.8636 976762.3066 1098915.003 1177665.623 822409.7629 579912.5306 976029.4891 752992.9144 951203.8991 1134763.1 1052787.814 1050863.366 754655.4131 798866.316 852578.4724 887078.2721 877818.6439 762093.3785 1626378.208 1481869.726 1561258.437 975433.5587 967188.4155 1301294.001 1010657.468 N-(octadecanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine 2329709.396 2268883.728 1826189.371 2636613.161 2180880.759 3774554.432 3787655.02 2572731.025 4489898.982 3614162.603 3426087.601 3202124.77 2694837.236 4209885.034 2853318.029 2703402.8 2158747.608 2447996.717 1685908.292 2833042.851 2620691.486 2615945.497 4062737.628 2981196.258 2339307.358 3983362.212 3210209.742 2162272.881 2819720.337 3512059.58 3946543.489 1888294.143 4376906.692 2426271.204 3464845.071 2454198.473 3371518.58 1783539.129 3992068.733 2176469.379 3452087.372 3955944.567 1864050.748 2305888.931 2147826.966 3772835.366 4307751.589 2023644.013 3066559.526 2369596.524 2305896.133 2694905.791 3010324.38 1592365.98 1956681.343 3664259.508 2238810.98 2820913.316 3633811.786 2672852.986 3296239.78 6821893.35 3335163.814 3521500.519 2493256.053 1608000.124 3159578.433 2227417.271 NAD+ 8038629.951 7850637.82 8471302.967 9000460.708 9112115.999 7128001.476 6735422.504 8167715.288 9425288.859 11483734.21 11113577.93 8507148.622 9055217.907 8941496.614 10365709.02 7315129.649 8121483.11 7442566.551 7724659.393 5380737.065 6838129.243 4836161.755 7496324.185 8620866.424 8770682.717 7052209.93 9282385.237 9600626.049 8821830.25 8097256.516 6232343.184 8734295.919 8048309.181 8835300.129 8189793.831 6604279.059 5761942.935 6717499.345 5480918.268 7834067.191 8294976.136 7232570.533 8504810.527 7636224.266 7624015.827 7881092.112 7601530.947 7195843.276 6615804.889 6729098.567 6376560.891 8657156.956 8833978.997 9212185.61 8311414.059 6463831.263 6674826.273 5897491.053 6016437.112 7074715.164 5598928.351 7742859.607 9878837.596 10084446.7 7121229.607 7377431.297 7384327.366 8737880.628 NADH 2733846.374 3005878.05 3729771.939 3143152.095 2582150.76 2223313.572 2120144.191 2391139.746 3403513.757 3661877.289 4033819.044 3323551.741 2583833.602 2481820.044 3355961.095 4085225.047 5082558.837 3832019.962 4519124.034 1956514.846 1583564.011 1803285.735 1336754.72 2705540.056 3094428.017 2352398.626 2662396.176 3599723.929 2887102.272 2810260.046 2078755.859 3498857.165 2663625.054 3237817.325 2770512.775 1856168.667 1384537.501 1665028.395 1285904.28 2311371.632 2324325.018 1943198.446 2510141.59 2814629.352 2908097.968 2658385.995 2345766.282 3816507.3 3876897.47 4432725.502 3807420.582 2303137.377 2332357.67 2918123.732 2562028.015 1815279.476 1780105.394 1811061.688 1837880.223 1946962.374 1674482.552 2613955.322 3695511.53 3812071.619 3172850.19 3688747.754 2709637.497 3399608.201 PA(34:2) 497934.8971 477225.6436 505731.1984 477455.6626 565772.388 542694.2744 488511.4017 597938.0379 343343.9228 425144.7567 423432.5119 456772.8052 534168.6643 402088.8922 545765.7874 637903.6976 617414.1319 678638.9797 747997.7359 675341.075 532158.8234 833534.2221 522406.6076 496004.6616 557038.1394 683234.9338 609960.6038 594799.8461 558231.2053 609151.4053 705811.959 615387.9926 495677.8629 512309.5704 498113.8939 300238.901 445756.7445 533655.3998 361470.1962 483660.8115 326309.6868 380680.2309 451745.7024 488219.9865 425322.5869 398845.1752 414126.6529 636991.3377 511320.9179 580985.5521 511739.6146 421309.6898 492183.609 465562.4969 416384.5701 493218.9199 500491.4427 445972.8682 519995.4392 533634.4935 441859.6178 427827.7446 522093.6965 473248.3562 427671.891 653308.1723 350584.9565 525755.1389 PA(34:1) 210123.7857 199532.5865 228929.6581 200155.403 253183.2715 277896.1012 224997.8655 251113.4317 128095.5116 164937.7126 175087.8115 203776.2388 211394.764 168159.3064 221009.8499 255130.022 253611.4663 223520.3137 246413.143 259623.541 260476.3665 385269.2514 214731.9611 195259.9041 242217.2495 222242.0549 272415.4224 227155.4918 218293.2335 259848.4174 293009.0136 253911.7571 200856.9336 207496.3802 217904.9495 141316.7184 226983.7499 244069.4419 145940.1582 205981.3639 136024.8459 130625.7111 159072.1486 182064.1855 208792.2712 167304.8455 178438.2963 262872.1124 219594.2052 253563.5461 219666.6661 179878.3693 191099.1102 208160.8491 214308.8015 193989.5188 228643.9257 211562.8064 225416.8588 241793.8793 202928.8623 186020.5017 226887.3281 185956.3547 224980.0151 270692.3847 174277.8174 200281.5216 SM(d32:1) 816174.3452 929984.7935 923138.1801 1015047.74 1139153.091 1435711.724 1765440.847 1251940.339 1842242.067 1524954.965 1403197.383 1247080.763 838260.2989 1543595.256 992572.9124 1155267.293 940555.9871 1001348.026 989641.3759 1059717.743 959254.8475 1145117.451 1274703.096 977601.9911 1000903.307 1321770.961 977466.0213 902291.9124 841059.6476 1358312.929 1351794.224 973041.4397 1324191.474 976809.3374 1099260.44 944506.1297 1133453.571 948661.3643 1246161.337 979450.1223 1347964.677 1147853.309 871877.5737 999046.8464 975942.5592 1212381.611 1183994.861 955507.7157 1080770.857 1052218.391 1037704.936 1107055.196 1015959.343 958004.0454 900215.0285 1454308.316 1188805.026 1174238.038 1305318.833 1129864.784 1246986.544 1944269.559 1243578.298 1408731.929 1062917.636 676273.1596 1241925.285 1010065.984 1-(O-alpha-D-glucopyranosyl)-(3R,29S,31R)-dotriacontanetriol 289003.138 264641.4897 212654.2899 330570.6375 227442.75 352414.8492 305917.092 249771.8591 254437.4307 264602.4823 203249.9755 197846.7793 160509.6821 287028.1071 203542.0932 129335.097 210232.4727 296138.9043 203787.4423 283373.4729 185440.6312 110147.6459 247298.3507 184408.0376 152649.8625 239359.3573 229492.9175 185280.9664 214440.6351 223042.7807 270707.4527 152101.9436 258237.1738 190889.2997 219597.7688 185710.0651 273612.7377 88862.26837 312822.6671 152349.3735 244595.1155 246780.9521 129121.1645 180584.5968 192255.0143 242597.5153 247516.9109 273137.2833 366656.4701 279919.3234 257304.5731 188090.5017 240524.4049 177209.3638 132073.8733 240050.7243 227374.0534 86277.0085 355654.4726 325223.4222 299039.478 462486.6314 220433.8854 258255.1446 256151.5688 218943.0129 291300.8219 235493.1906 SM(d33:1) 2196111.742 2128834.026 1369612.418 2245568.598 2077696.784 3047208.126 3242888.037 2466209.839 3555447.685 3094367.659 2881268.45 2467895.335 2130345.13 3456221.334 2364092.502 2492709.09 2235859.137 2317017.997 1995657.478 2545328.686 2206950.703 2402760.892 3504813.033 2688683.369 2162569.574 2937686.59 2659799.561 1937486.402 2140114.393 3061230.968 3412231.341 1788152.553 3016001.302 2247337.72 2906487.444 2393657.066 2917012.804 2522513.065 3633689.542 2550695.665 3543863.349 3042041.671 2040597.923 2330882.592 2553571.287 3297747.758 3975048.202 2047048.933 2804155.617 2719223.472 2323148.076 3008469.173 2996615.549 2626447.451 2261290.381 3412590.5 2565046.473 2459600.368 2972388.231 2306258.993 2994229.68 4162032.104 2698133.905 3117800.647 2200911.512 1964711.565 2998829.368 2551303.686 PE(32:1) 285461.2409 273826.2782 285264.8524 295151.0153 336108.0971 384980.4636 422616.0895 372396.332 295294.8792 246413.143 274049.2327 280583.2613 278922.1211 290686.7602 287672.7082 341948.6794 404491.8817 285243.0906 424591.9816 358624.7167 352400.5648 459950.5495 386572.1444 314969.7854 327555.637 393605.6162 368143.9088 415961.9455 381799.1585 373691.0528 456954.7303 373434.6416 439456.4553 333217.9832 316800.614 227500.341 246825.9285 242362.5482 235115.2928 236821.451 268303.1888 217078.5348 188830.9195 233009.6745 234176.8462 232822.6551 288573.5793 291398.0017 293764.9599 365895.2649 353138.7166 230604.9921 284370.516 183690.7538 251777.4064 316050.6136 326501.6829 375885.9358 395898.1635 325690.0416 387306.8035 279480.8361 272934.0037 242051.0426 263212.9832 262981.2612 259524.8444 293120.7209 PA(36:4) 132343.3461 131815.519 167780.6509 141038.4284 142044.1583 152200.0061 113917.0242 127065.972 131747.8074 145127.1568 158649.6294 151552.3907 156932.1471 115701.0312 179840.1926 172743.1131 180105.2234 155195.6584 177143.3807 188265.3232 209259.8996 278971.6437 133534.228 124724.4204 185686.418 170221.0944 174875.1227 166679.1601 127893.8557 151916.716 191048.2803 163809.0582 120656.4366 142876.0512 131735.0384 86260.17781 116307.8381 109681.3064 92932.48574 126528.8017 96471.76918 103667.6368 117385.2574 130280.9812 119553.5078 119437.494 114233.6552 207540.8755 173625.7851 146532.8495 170146.3747 112590.2488 139277.1891 129314.6351 103650.5171 114927.3884 116930.6696 122969.6112 112168.7763 136355.8565 95688.04729 142439.4347 162066.1491 156876.0804 145387.6129 169271.5535 85869.09876 133966.053 PA(36:3) 135512.3305 129205.1147 155398.3684 155287.1055 141739.7512 145869.647 117228.3337 156694.6842 104156.3285 116822.536 118012.3984 141881.7855 128685.8448 136109.5929 161696.667 161636.5474 159282.5265 188261.2759 172876.1637 161681.5357 174972.8034 288044.7668 132337.4868 127290.3422 115603.4479 142264.8928 173447.5801 130379.0878 141617.2877 145563.0962 152293.7945 132288.6828 119710.7209 123661.19 122249.0157 90986.66099 136979.505 105170.8396 95968.85161 112591.7825 119573.4014 121147.5599 105341.4629 146316.0461 121840.7436 126160.7875 122998.0812 163652.2224 152514.4269 134019.0943 147482.9898 129477.9759 138049.9994 126690.5637 159342.2066 82407.00545 113997.0023 113091.9445 131533.0064 143561.9509 119777.2969 123273.6319 129572.6537 117731.9682 132919.6622 145545.3097 97803.0883 128645.5955 PE(P-34:2) 1278044.932 1323143.395 1251250.079 1200448.535 1916208.358 2355317.478 2721642.677 1908709.443 1596594.235 1447248.431 1571727.779 1421598.167 1391447.158 1995910.43 1386978.21 1227416.022 1187284.789 1423948.093 891492.4226 1408553.875 1290911.818 1400283.79 1748732.903 1771214.974 1288815.382 1984769.693 1501312.891 1228389.266 1276401.429 1659911.727 1769514.438 1118270.945 2235451.45 1194644.949 1733035.054 1208261.812 1596993.616 1147436.139 2109291.207 1084361.723 1521599.389 1671513.807 905530.4167 1215170.803 843564.8663 1450828.029 1906958.498 1335925.336 1629760.754 1396348.555 1344766.226 1370961.694 1395216.249 912862.6692 976027.6578 2205329.943 1712401.462 1746192.286 2042711.743 2007680.94 2392013.022 3313321.072 1693473.669 1896735.778 1522123.941 964095.9568 1850340.731 1262883.158 PA(36:2) 468684.9026 433419.7452 532666.5592 444761.0115 518833.8324 423827.6185 423316.4028 478491.3527 424312.9769 519274.8477 538918.0634 399629.6869 456323.8867 402449.36 470488.1831 457163.4338 531365.2613 462072.0381 606395.9355 512567.9217 411045.3049 837121.6955 377392.4831 441231.5478 479506.37 548904.1534 451609.4093 571750.1938 494706.5419 530975.402 548551.5994 514567.1035 377914.4051 451673.4632 390746.351 285085.4659 463346.7322 521765.6549 352643.4678 475417.9999 317152.5631 405014.3602 356654.751 435597.5578 441823.6919 343454.9719 357314.4115 604462.8259 515461.2019 581564.8808 488666.951 365963.8037 400062.7808 406465.6065 530936.3458 427877.3021 432486.2083 507435.7477 432214.0567 502134.3539 437172.477 413775.8238 478847.6767 447429.0837 572081.6175 564918.5617 305906.1234 437589.0309 PE(P-34:1) 461690.343 443934.5279 410980.8513 541548.835 675233.1001 1033963.451 967823.5612 551618.6543 700837.0277 555592.7514 641773.3167 449793.8456 557731.0959 656125.4188 495792.4772 573788.4519 440869.0978 574294.7027 363846.674 600246.6798 481022.9841 500711.4508 598812.2748 559179.4172 535669.0917 673737.7791 599574.7073 360350.6997 539440.5431 607054.5338 662118.5727 482000.451 825560.8502 461468.5836 597908.7655 369566.7002 591987.3454 427128.9898 762554.1544 439190.9115 666605.2666 473514.9484 119537.7594 369331.4143 428197.1309 535262.2479 638625.9078 444917.9149 545581.0548 487673.0169 518747.7678 476132.4138 504418.1068 342526.2581 357405.399 635671.3572 727081.6784 822146.7692 937811.0647 644650.5495 835694.1644 1156775.071 536736.7985 527461.3058 406926.3352 379297.2671 732742.5272 427012.5513 SM(d34:1) 34903660.35 33225639.2 31061444.21 34739111.27 33079106.94 54372788.09 50883694.64 37149619.25 64189045.27 45610137.11 44778008.18 37431453.94 28569563.47 51094205.66 34653246.22 40234964.79 35375306.24 35278986.5 28070860.47 40957622.48 35286582.66 37834718.48 49323553.02 36844644.79 34839100.79 48731315.06 42850423.75 28157059.98 34897186.77 48164911.28 52637629.49 28873705.52 53714690.76 33196710.19 42635067.65 32805083.65 41646915.68 31938655.98 52875631.33 31029050.44 47154630.34 50166535.92 27228579.44 31967331 34009740.17 45944122.67 54240764.39 35153003.07 43330504.04 42667841.63 33645129.27 43837226.19 41898389.89 35091154.4 30936930.11 54461257.65 38829987.26 36430644.67 49570972.89 36852828.45 46358747.5 64205998.53 37868877.45 44131935.05 38041639.26 28416772.4 47680601.95 35635994.45 Lacto-N-tetraose 127693.089 110106.1615 132683.7192 139064.5169 115400.362 69814.5675 47711.50374 87300.48828 78737.06032 88477.5885 83349.40678 96293.3284 100892.6434 99868.33372 109818.8115 125621.4804 163192.3202 143083.2858 163679.8641 68490.90839 77359.83761 65974.90916 73700.55579 64308.05156 83881.43527 63451.86334 71205.27419 106059.2332 71581.11234 91365.41118 86979.85598 122824.8408 67662.98018 79871.52196 77540.56146 85550.33983 64485.18239 96145.00138 54666.63304 94182.81067 127774.3923 96075.53135 130726.8802 97286.12295 125137.2603 106959.5221 90526.85439 130072.9312 107069.0943 118899.4598 146218.6532 124363.922 107037.4692 159539.4865 124516.0522 73984.81729 73088.24127 60926.02159 64415.68813 64401.7623 65335.45059 86214.25439 100139.1608 103595.3961 112767.9466 151472.0809 99772.75389 124913.0868 Trp-Trp-Tyr-Tyr 2484155.802 2799255.017 2411944.674 2554106.552 5262003.163 6506860.132 6642887.537 5513475.747 7080591.974 6133187.613 5435980.059 6947510.132 6143915.511 6998197.547 7944521.512 5310150.193 5138545.531 4739353.779 4207187.804 8454178.588 10481955.39 8920380.781 11608721.48 8005850.05 7290501.697 8945670.223 5785811.231 4319163.679 5220219.862 6756511.472 7415919.556 5175276.779 9052869.175 6188965.188 7742524.819 9658349.502 12087179.55 10625862.6 11202063.95 4678256.079 5345543.772 5320626.967 4281636.429 7636224.266 7690311.617 9949116.467 7865117.965 3116008.656 3923819.357 3314844.272 3336670.072 6124267.132 6012699.347 4416193.296 5349328.991 5245760.323 4634944.498 4798006.98 5855393.414 5707948.409 6163673.388 4973454.519 3611044.219 4016424.944 1782840.783 1670105.8 1726555.274 1646361.934 SM(d35:1) 1718993.592 1672841.431 1562088.069 1762677.753 1719169.989 2435914.869 2178780.016 1559043.858 3225883.538 2288767.181 2237822.23 1736386.893 1384906.167 2403909.081 1760006.219 2087101.721 1733153.78 1892430.507 1566540.234 1912753.802 1569846.552 1931583.496 2495243.275 1887626.206 1535309.735 2211545.482 2084036.129 1411783.524 1788836.365 2473609.708 2476074.091 1417522.811 2694379.34 1734705.135 2001281.987 1936385.007 2387297.246 1780351.829 3337737.136 1948213.079 2873932.971 2962747.024 1488943.277 2152441.25 1924036.08 2879688.78 3071323.679 1927869.32 2362732.019 2052870.964 1750226.173 2538716.844 2675681.94 1966634.505 1744008.913 2283448.782 1518953.645 1754567.725 2386032.556 1780899.292 2075249.74 3357406.461 1861729.121 2099842.65 1830281.617 1436760.381 2487445.715 1873130.735 PA(38:6) 157254.5597 140443.3784 181897.516 131933.4696 145491.2909 119662.7152 131627.9024 152826.656 119601.8832 150937.5204 173173.636 110190.7151 201364.0482 117882.6014 148702.2553 166540.6017 159411.2305 152538.0394 222671.799 179783.0581 170169.1948 267378.1526 142707.23 130174.6362 140034.4815 156344.6317 138899.6611 151311.1281 138583.1586 154198.3026 161084.6463 145701.6695 135128.6447 115383.5245 130255.7192 77710.23577 146147.2678 169462.8522 81400.9493 134051.2702 110453.987 113409.6331 120236.1305 130963.0125 148298.9893 113759.6671 126091.9073 204365.5811 151798.6527 186781.3291 156210.9071 125051.0059 131701.0504 148902.2436 161832.2296 148528.2714 139528.2681 134436.9299 132998.7145 158991.8055 124165.5518 132451.1297 152854.5663 160621.9125 157011.4418 214850.2676 115612.726 155857.707 PA(38:5) 156854.9655 165524.6797 198264.1665 149447.3395 197784.1363 131215.752 132244.6022 168404.6417 142846.5317 166220.2807 179329.3477 201333.6006 170641.0626 156316.1197 190798.9743 194080.5356 205320.8056 202406.4659 229087.1458 187408.0167 186393.3714 303523.7182 137576.3288 157355.8118 169366.4894 152226.518 169593.049 189508.7234 165872.4612 175846.432 205388.1714 159860.1165 130605.8686 138242.0489 131989.2402 97176.46747 151069.9139 151432.0248 132525.6549 144468.9235 133234.7244 142754.6407 128831.7888 175513.3041 173023.1547 133975.1421 160398.5156 230514.0569 191163.7946 180705.5088 183603.4033 131788.4826 185498.2557 173771.3852 179800.8905 154351.6143 134966.782 148509.5015 141900.468 193561.5965 133858.3839 144192.4912 140797.835 144368.8079 206492.1259 204997.5971 125127.4025 154711.0753 PA(38:4) 212064.8723 204213.1909 275904.4057 200172.1445 251251.909 163663.953 192945.3252 205485.3442 241418.3235 214298.9109 272651.6733 223709.6902 248958.1243 209133.4768 243526.3262 227247.3286 264111.1188 243874.4862 313202.0483 265051.4006 231422.2465 409764.6121 180637.966 267747.1338 255573.7861 238144.1156 237734.1917 275846.4504 210731.3785 245586.7174 316239.3969 224248.1076 189723.7012 312567.9353 212139.5567 122277.9831 174206.9989 218010.2199 166336.2425 221359.561 147827.6889 160194.407 195959.3229 215451.1079 255876.9706 171453.5945 195917.5897 267031.8405 249858.6929 278008.4975 250675.9349 160549.0281 216205.3272 213728.388 244919.0056 201066.587 171430.8371 181969.3731 216037.053 246413.143 187264.6761 210406.548 217468.5145 240274.0645 211227.1115 247165.2098 157347.6997 243782.8359 PE(P-36:3) 609781.833 504057.0122 460438.7986 464483.3247 526143.1491 763717.2452 853381.4147 619152.1591 651753.562 594894.885 486976.7878 381087.7785 422552.355 554805.4629 502007.6466 528158.0827 413231.2613 517604.649 396504.4389 497286.0705 563080.5418 578124.7838 659215.7723 608109.9715 562640.9713 665142.3969 494187.502 347229.344 561799.5559 684003.3551 545464.9125 417772.1563 713099.5144 598091.9711 608989.153 413244.7125 677368.9828 303281.8131 780176.1916 438209.637 563256.2006 646032.8379 370409.1805 416029.2653 377069.4035 630910.46 643333.7901 660785.1587 659346.8351 638327.6123 532952.069 490401.1775 542051.3547 303348.3327 429054.3232 807877.5887 588232.3946 611268.9277 800847.1928 779418.3015 862608.1515 1005916.089 536276.5443 583221.3068 525356.6948 348183.6764 607830.89 381119.3547 PE(P-36:2) 9527508.337 8629491.846 8628178.947 8314447.181 9264452.018 12446757.46 13239403.92 9482919.881 13684466.77 10604219.12 9212759.039 7545470.951 7581112.666 9054984.174 7163049.196 9326213.369 6768707.191 9248078.336 5940971.397 7725897.067 8081507.593 7137826.472 9316281.669 10171929.92 6810098.92 11355007.71 8753975.287 6438624.753 8101451.703 10717919.42 11340479.52 6153398.818 11185734 7806217.554 10313693.23 7629129.439 10364262.21 6290022.114 13608249.26 7598961.458 10541855.07 12002987.39 5583880.161 6603149.431 6110458.417 10952253.67 12811085.91 9418986.468 10988684.85 9584029.693 8708924.861 8266258.286 9715511.452 5790030.778 6089026.373 10491624.62 8592550.079 8867694.573 11751555.85 9332876.08 11468411.41 16856467.05 8033964.675 9224745.62 9472854.611 6490876.498 11517674.56 7539772.778 PE(O-36:3) 2168870.397 2291822.739 3273625.61 2359771.719 1987523.282 1534989.905 0 1964685.617 1952962.214 2007417.896 2268405.07 1982176.355 2254558.853 2017622.944 2702818.715 1578766.514 2355315.807 1940227.336 2531350.192 2651238.818 2263536.459 3457309.66 1159678.792 0 2212573.023 1682281.95 2004279.273 2653956.943 1731028.382 1928387.213 2121947.959 2650370.304 1779199.542 2127617.902 2154047.681 1834857.852 0 2873374.315 2653518.969 0 2028663.355 1432138.143 2098769.508 0 2278398.513 1789336.32 1749785.266 2268933.343 2331665.869 0 2270104.868 2059195.524 2212332.615 2572303.133 2100805.056 1514997.43 0 1620760.889 1286601.628 1844084.076 1448177.387 1872376.858 2703428.182 0 1591144.701 2227449.729 1441677.295 2725175.193 PE(P-36:1) 1299239.974 1156029.085 920198.7164 1159749.251 1206972.232 1657059.896 2199854.77 1323640.371 1668617.707 1718253.389 1236010.732 896478.8832 800014.7262 1145389.218 947941.3472 1772553.113 1077887.436 1347024.885 877271.8075 1271105.655 1000307.106 873675.7434 1298344.003 1572330.783 1003756.723 1978022.1 1226303.738 983300.4188 1019167.354 1407744.69 1716651.504 929719.8734 1741967.984 1099323.533 1417640.408 1215244.549 1693827.333 809923.858 2126085.73 1175145.217 1259042.975 1577367.444 864946.1532 898157.6316 875631.8084 1804519.356 1640361.043 1227857.815 1449571.364 1482894.443 1320705.3 1149676.035 1563378.794 858228.4237 893700.2157 1556323.623 1286712.384 1701794.328 1998403.233 1339832.892 1993637.328 2449765.679 855921.0663 1471907.244 1421644.513 790169.0862 1689607.582 1268939.555 PE(O-36:2) 1515091.859 1740231.237 1806563.598 1563638.014 1481864.779 1741463.279 1811834.797 1525385.459 2220994.399 2027577.953 1739158.955 1644795.972 1440298.567 2073040.506 1277326.316 1977704.216 1404268.952 1638001.913 1449780.628 1991099.824 1583429.286 2042412.883 1697826.303 1576164.699 1575274.204 1871514.981 1557670.355 1397810.852 1385792.78 1474746.263 1837044.297 1534104.007 1924212.702 1628468.05 1688918.735 1443187.738 2231083.016 2163945.774 2355770.567 1690919.847 1091540.851 1767197.019 1367497.303 1390911.299 1710738.658 1878201.429 2307162.579 1485573.058 1793197.12 1655910.204 1749593.186 1770037.238 2224890.717 1495179.391 1467762.246 933244.4862 1139624.491 1448409.914 1559524.494 1431762.24 1450797.207 2734053.025 1725975.586 1870041.199 1672927.08 1342113.06 1557376.681 1516985.823 PE(P-36:0) 94218.15409 93814.44336 201697.8508 105171.0279 108057.1489 83538.67861 76933.47623 116962.9729 62549.63183 75712.77786 99060.80611 107904.9158 102589.2355 88380.2869 113597.8737 83093.2446 137592.8833 89214.37411 193163.1044 142083.7058 93018.37116 220149.3984 71305.69798 81058.61217 119274.9278 67273.17833 70388.90839 163493.6128 100021.7247 80790.50314 97411.13191 143271.4847 74905.26168 92558.3602 86644.99708 79777.70019 99170.14724 168877.7237 89045.70141 117285.3944 77490.35272 64739.46669 93215.67989 109252.3893 121310.253 63297.12955 69374.21357 81148.01776 101263.1343 122631.5299 96456.83644 87275.67634 89473.02124 162600.6442 117308.5286 88073.76671 89570.19965 80547.85464 82159.56705 110771.7916 72694.72321 74811.50484 127140.1524 125840.7978 109576.0073 166111.8419 72962.0982 121716.3521 PE(36:5) 112976.1876 125489.1541 122269.8258 140805.1013 132967.853 117677.0843 117633.018 119746.3888 143595.0353 122304.5612 123122.225 93389.87667 98294.79618 116055.9553 113181.8858 164197.3296 177647.218 137900.2843 142118.3331 201556.8259 141749.8807 214208.0451 129667.8623 136245.7198 128005.3861 134707.2475 116974.985 151666.5617 130494.5317 150912.9251 212086.966 135472.7758 165392.5663 120101.4433 132168.3577 89208.25761 95107.99288 105075.5446 89874.50351 131587.3553 84150.5803 101211.5047 97849.25639 116854.3395 98766.44212 106372.7238 152128.4986 126031.2556 128393.0007 162029.5306 124939.0533 123015.4249 134953.0101 102867.8309 108345.2602 122464.6142 111516.1162 175079.2556 132924.0676 144740.4768 135221.1413 111029.8336 115950.568 113272.6895 143035.0533 106901.7225 112984.0919 100095.4481 PE(36:4) 269168.3141 245327.6339 202938.1392 240832.7464 267880.1553 423895.3021 488578.9286 374324.4887 242178.5099 235047.96 273196.4612 241083.0214 171957.1184 247000.2351 247300.4468 221260.7557 190776.0908 214903.6149 72711.65421 285152.9544 275895.1678 264803.2578 365411.5895 421223.9741 231434.9437 536375.754 329978.1804 270037.9597 287867.1203 334624.6461 380497.7427 246413.143 430494.5043 296829.6816 342106.3753 211326.7556 306444.8383 233815.37 404841.3342 240954.0415 239769.915 324858.0775 230056.1755 190743.0678 182394.5514 309761.4696 155731.7399 228771.1239 288590.5835 298808.7095 273989.4314 273338.895 282811.3453 186455.2428 222912.0426 422577.6293 345766.4614 342467.2634 575058.0433 417147.2934 514826.3377 579355.1296 225405.2316 346557.2215 319517.2889 149150.8691 314075.8921 315888.9527 PE(36:3) 167727.8908 189943.2995 173845.1454 179959.3914 162644.7221 191769.5433 188456.0449 164883.6071 160426.0569 224413.6317 183126.425 152725.9727 165576.4472 190995.3989 162422.2193 186788.2659 182617.6486 181268.8705 212629.2461 210929.5627 177637.9131 321809.7778 159077.0034 181403.6344 169361.0712 184665.4172 179767.6883 167414.1072 186537.7425 225818.8435 229292.1019 173569.6902 207443.8288 200048.5921 177071.9067 110347.6838 153556.8175 150465.077 123124.1013 163003.6208 134028.6746 134701.286 128246.0632 148102.8267 163442.0561 156223.795 174663.1312 192247.0065 187633.2852 234167.2388 184645.8262 142233.3927 161542.2134 122695.5926 138481.9693 166280.3316 142107.5543 186359.9103 164874.5808 202388.3786 185647.7822 162806.7198 186901.5685 190837.9975 188657.7527 129789.6695 168406.1153 137108.5271 NADP+ 623190.8277 521263.7825 613903.2661 653490.315 416779.8593 289177.0174 291592.4044 359514.8774 329230.3915 346275.6483 323129.841 442507.8889 572026.2754 534294.3526 653608.3636 287547.576 278699.5525 281045.1594 316742.1364 248592.2486 481209.3689 205523.6267 608700.5978 287281.7499 304810.4854 288484.9248 272238.9593 336019.0235 260972.6912 348954.4115 318749.9028 486014.1668 352792.0263 411279.4414 431617.5589 578660.4959 417724.9595 552006.2721 411652.4504 670031.7339 702277.8155 663293.5105 781438.5559 447099.2463 522679.1973 470868.0784 471077.7326 303699.6868 284803.9775 246413.143 307816.4168 626157.626 609014.6506 687383.8961 676086.4522 313969.0619 267716.8096 257684.0885 288973.2846 331282.1894 313611.0096 319314.0109 447288.5006 408553.7289 398262.5078 477138.6138 436774.343 399737.7554 PE(36:2) 247138.4132 236981.3267 198687.1678 246413.143 350622.2464 443793.0372 521457.0568 326087.256 341059.3779 336108.6901 261280.6218 152137.8813 183430.0444 259546.0833 198180.2623 229004.4817 176000.9582 207653.7384 140825.9506 205274.9074 246413.143 230012.3549 317233.5993 414132.6265 191284.8849 474615.4352 259385.4158 204821.61 265214.6822 336070.7797 401921.1996 179278.5519 366082.5441 267571.2207 316118.6263 203289.7703 340023.6178 154840.774 402417.9828 229289.9219 256888.0044 375444.5964 171334.1776 191198.1882 186634.7887 326859.7318 368503.851 240900.4079 286156.0586 266804.7526 263563.0929 241154.1394 290085.6511 175993.3515 109570.5548 402538.5831 400318.7579 469856.5497 619418.5454 395583.6939 483781.2801 605502.8314 222878.857 328919.6116 299907.493 171473.3838 306476.8625 258431.3362 N-(2-hydroxy-docosanoyl)-1-beta-glucosyl-tetradecasphing-4-enine 5346355.348 3707028.64 4725971.283 4203100.685 3553641.58 3528142.623 0 3754807.143 8088463.697 7096669.346 6429390.96 4817820.56 5727783.323 7298724.955 5137893.815 5641992.881 5778608.985 5658050.053 4424128.311 4531967.083 3872602.828 5496882.44 4170357.422 3867961.044 3898372.752 3596167.404 3134575.984 3806771.46 3901901.586 4790403.778 5626145.778 4751926.178 4743732.267 3371459.174 3793774.04 2550837.337 3421456.283 3434068.107 3376813.411 4018066.564 3676319.286 5294537.382 2782767.082 4232251.526 3824275.287 3992370.506 3438004.657 3990419.214 5094226.12 4447512.164 3278617.618 4387314.085 5284640.694 3719007.21 3254040.307 4260545.562 3689168.189 3449866.572 3256846.611 2977375.002 2789980.629 8094081.706 5706808.202 5164227.182 4106799.199 4529283.776 4151319.39 4636514.281 NADPH 729486.3868 803830.4682 986334.0022 856991.6141 1301206.578 830657.9911 741374.742 1050801.958 644536.2361 740268.5149 667039.8474 1159586.126 924262.4942 962571.3489 1090636.87 892180.0476 1223059.63 894462.9471 1284973.037 969417.4713 669193.8371 935475.334 541090.1991 1352422.576 1446589.204 1051529.957 994704.6614 1467487.395 1170770.024 1138237.247 785606.4847 1549585.546 1014850.651 1390032.25 1274161.129 920722.9645 624948.2838 761203.5909 559594.1017 875386.7324 829544.825 646420.6582 819586.3396 1200297.197 1168307.749 923249.0974 884465.6064 1009281.508 1036762.835 1330862.765 1332354.548 880252.6485 951306.2326 1243389.753 1016854.099 916966.4937 844481.2299 868845.9582 845491.8081 1067966.157 867126.089 469734.4089 723401.4427 683811.4161 956233.7693 1209357.379 843336.9406 1060210.558 PE(P-38:3) 286572.2205 342563.4539 234589.572 337723.5644 372187.2518 400059.2615 469750.6364 345992.5567 649186.7448 470527.2049 552103.0289 285996.3276 314620.2777 403634.3325 325564.8838 396237.9594 263791.2378 303788.2169 290196.422 299954.7693 381992.01 286012.4003 392237.8669 313004.7048 222108.5306 372066.2037 350131.3644 262261.2288 332397.7434 367302.6773 492480.1455 301836.8975 485193.2767 283417.0741 389869.0969 243020.2315 411780.9992 209964.6596 351371.8877 284155.0818 440523.9184 372343.5696 227338.5919 278022.6664 271635.7284 377065.7657 402115.4528 400869.7251 459313.8079 385742.3406 259859.0594 322630.7298 397481.8669 263339 202893.8617 404183.5164 431106.5164 298687.5094 437997.4982 316189.7442 449693.5728 614499.1783 398107.7584 431463.3952 389079.8303 246579.4127 448306.7349 282905.3371 PE(P-38:2) 362837.3482 331951.198 372731.6683 311237.7976 450824.1742 582030.2556 531064.9584 428253.6693 585942.0966 987155.1597 828710.3064 558788.266 428486.3744 482133.3828 528389.4637 439859.9579 447584.7444 487344.8433 476319.4821 489560.757 541676.949 637414.556 463790.834 401709.8929 443356.7932 407627.4033 444754.2196 453039.9752 445473.4095 457315.7488 486606.7215 466688.5897 427239.364 371785.3281 400003.1218 240915.5074 304580.0954 378266.4339 389498.1774 369979.7841 336320.6717 373253.0869 262812.5522 308509.3326 285362.8311 305437.6338 294483.5548 296330.3548 279962.0095 397096.6395 258292.584 302303.4188 335278.369 268090.7756 284192.2716 331002.0192 294234.4726 377939.4556 296691.9787 149880.6419 329270.1711 788956.0486 587791.7035 717655.7802 343396.1805 356581.3322 387942.8009 377211.1343 PE(37:2) 3230472.097 2282283.929 4481110.232 2104863.976 7974627.922 5406752.841 4966660.755 5818855.186 10127887.71 7777021.522 10628992.49 13093611.36 10318736.68 4605700.214 3960350.405 11021812.16 5405421.37 10392998.73 11104197.88 2529223.476 2717414.53 3719604.613 1895469.599 1771176.003 4435295.675 3879519.095 2708537.151 7594525.084 9879982.747 16964488.46 15286180.28 11188560.89 11993337.38 12094925.42 14327231.4 3912951.245 4768028.222 8122067.39 8419921.846 6173533.731 4131928.46 4864105.518 6658805.142 3326734.577 3835846.885 8261787.976 11994727.39 9923575.029 13548771.17 17704954.9 10979997.28 12842183 4045790.713 3193038.382 4937538.333 9482716.38 7284874.941 4513160.924 11927091.32 12104469.45 13463234.85 13527324.88 12131905.82 15575977.08 12784485.33 11680932.89 11322768.43 12950193.86 PC(34:2) 33529500.49 32547564.93 32943955.98 28298714.23 43752888.54 42052669.94 41894241.92 41652603.4 29291507.56 23731162.71 22874548.76 33066916.82 37343999.43 39303235.13 32988679.8 31460318.21 34984850.32 37281307.36 27381158.74 39726431.42 29205448.23 38911316.16 39178992.47 32960736.36 30291339.38 36620574.04 29904979.57 28945171.07 33356272.03 35352570.35 44263461.16 31833260.33 47863090.37 37571470.45 36049162.89 29974188.11 43561716.41 35297405.65 40248614.89 32257923.73 40450719.04 42336309.42 30590946.39 33464629.87 30363471.73 33839863.73 33527945.02 27752370.84 41285406.5 39478750.37 35458339.83 35050469.4 37493687.37 27030491.99 39248344.17 31120718.66 36598378.8 32718843.14 38262594.7 40063005.15 45379337.34 48263692.78 30416421.02 31251800.16 31701366.05 32720273.99 31975715.25 32972479.4 PG(O-36:3) 112629.6345 161072.9101 145040.0925 141989.0274 137682.7225 114264.8094 106066.5182 132894.6012 184520.2051 168544.7046 180706.1703 132914.1412 161429.1772 128805.9547 139437.2999 150220.3778 149878.7373 141851.8288 144342.147 148880.3678 151014.3215 189707.782 113486.6778 122094.6141 121427.8689 125556.3053 131931.732 138562.1326 103085.1212 168069.9602 179566.0537 134061.6185 151837.5074 129665.83 118116.0625 108997.9802 146721.2593 174406.1874 115008.5304 137186.9132 126156.4079 96755.61638 130104.4302 135029.5359 112226.321 130410.7002 117919.6802 136482.5988 147725.4436 176652.081 147260.4938 118962.1863 148457.6618 124844.2061 96282.61969 87458.03291 86336.3026 100051.4277 90759.99166 109857.6837 130753.8195 133158.5013 164274.8601 181016.8011 132999.2323 155900.7598 128734.2871 137717.6627 PS(34:2) 215419.7261 221910.2179 244476.7297 243729.812 276926.7862 309242.101 320505.9509 351897.8686 136338.9928 198579.4574 144467.915 195053.9148 292484.0868 218439.248 292927.1343 189679.9032 161321.6947 135006.3943 180036.6471 305074.9338 348899.4117 310332.5016 253716.4433 252953.6088 292502.1418 460798.152 380065.8852 273226.5856 246413.143 327481.6547 338039.2139 351809.8378 279322.2294 253094.6779 204529.7135 236086.9832 347848.1218 410377.951 317158.3702 305761.8424 310214.1923 313844.2501 323126.3073 260755.7924 226745.9376 283997.3754 285101.1087 275811.445 260266.0825 232564.6173 288580.8027 284450.7025 272134.709 404369.8343 277886.316 241439.177 267946.3515 260164.9596 279665.6808 297321.0279 254899.1454 247896.2348 416318.1551 263700.5743 228424.7778 287350.5008 241886.6251 306444.4383 PG(O-36:2) 827074.2957 858896.2742 887508.3112 946961.2162 718361.1878 535738.9517 467307.7421 653134.703 926958.8379 898341.1385 858525.1092 701479.7332 861357.3344 793638.4758 851144.1622 855114.7232 817696.6411 819480.9772 948085.1223 836316.3815 725730.684 1120576.407 616162.4613 586446.3569 655099.3462 605737.455 673085.8887 762096.7107 595021.791 747984.9085 892861.8025 710783.6929 769656.8263 811691.8388 613595.0979 583274.8557 655382.2835 884101.9972 609009.7825 829501.948 677010.7454 483796.7243 576353.7443 688252.4252 626365.8125 593705.7262 655017.6735 793373.1616 834576.5037 1028979.057 852373.9778 638337.0003 740432.8449 656676.1056 553139.9422 399011.7746 419478.6508 525303.0887 496778.6515 494218.2587 524382.0141 802692.0921 962392.6757 1036757.628 906570.1364 761519.6344 758873.2125 857128.1551 PE(38:6) 403880.898 500807.4018 517063.2819 448635.2214 487110.5241 747071.1229 801874.7658 596454.4454 473494.3729 428949.8461 405705.883 487398.4478 467578.8557 635808.4346 388912.9142 361930.663 370556.2597 411278.3127 324949.6947 488604.3267 495089.5582 469311.9988 473915.1709 590977.0805 461231.6781 599327.4128 424228.1328 438692.5023 492216.265 525080.131 610760.8285 357865.6237 671229.2505 423893.7624 576653.4078 351610.2361 609067.6297 278038.3857 655829.625 502582.0519 391489.1746 570486.2485 299690.5479 353214.3489 331811.9818 572196.5882 620689.3885 473461.8065 663372.4817 473711.1204 483603.6549 435083.263 520703.0844 320254.663 396528.9895 765325.0454 539106.812 619754.0888 731245.4805 694796.5992 736530.0592 840775.6399 472041.5151 517224.5939 465193.3486 388539.8479 548191.8922 412224.733 PE(38:5) 152137.0596 166527.382 117641.1878 131841.9715 206758.3466 215716.1313 290678.1145 167485.3646 183432.6134 156968.2744 124465.2786 129332.1924 105372.7279 142360.7327 136211.3394 156507.0742 109384.7004 113430.7018 106850.7261 146071.0847 145298.3302 129406.5846 174912.0648 192820.5538 124105.9599 277777.7547 164703.4468 120575.0194 149844.8943 209088.8588 235029.3625 126756.0635 197582.4989 171584.3432 176486.4689 148115.4991 225606.7014 106307.1275 246413.143 157881.7754 140885.297 214345.9185 113017.4047 111686.0382 109622.0359 182475.2422 201906.9846 150834.8452 225671.1806 215480.0231 165606.7061 131632.9491 195172.1172 134003.6167 127261.9108 303014.2817 199286.1052 239777.9756 299744.4421 197532.2841 251250.6385 298884.7242 156361.8786 194663.5037 157497.681 150603.1942 200015.2395 145588.3783 CoA 875607.4461 1167516.511 1121122.727 1094650.498 397002.6522 431563.4719 390404.7231 488486.324 441801.4259 478171.3524 525200.0441 776363.5853 563902.2006 501450.4581 686122.1691 743449.7212 826208.1405 732627.2709 832415.5036 362235.6462 299867.3648 336924.3442 317521.4294 441418.8545 504243.8065 367441.1666 415895.3812 451688.0512 469112.118 772119.1918 486109.256 719020.5942 620926.3054 887192.3735 788532.6876 543002.8687 405296.8557 509439.5016 369052.621 952755.4423 836820.9833 711839.9195 853550.2839 821353.5922 821173.1319 752459.3865 695474.8203 717081.8942 795110.7547 823053.7301 776884.1041 757995.006 780300.1701 995596.4294 792505.5338 620834.9967 563388.8391 563187.6941 527112.6982 586569.5047 464055.2454 460236.0773 669921.5646 629548.2939 1304109.229 1184690.374 974735.6422 1261847.028 PE(38:4) 164914.1697 155221.7044 123340.5656 131717.4632 182982.1074 225415.2984 307025.217 162028.9087 213347.4195 192563.6981 164287.8145 121814.127 114839.1926 151569.9387 136449.3559 132065.4869 99695.7076 129039.0163 80322.37267 172090.3455 147885.7503 138370.4138 170088.9713 192759.638 145339.5899 242366.6328 173845.7905 130835.2854 143373.7747 190843.3772 244263.7732 118163.3841 200993.3772 148639.0473 194351.241 135818.6795 197157.2132 110835.1419 221387.013 130565.3624 146821.4808 173172.0743 123024.433 128558.9237 113089.6372 184599.6698 206150.8076 144906.6391 150459.5832 157195.6518 133854.0682 138914.1289 176446.8774 119103.8156 106514.9558 198653.4492 210140.7709 238007.9531 281484.8 207930.5681 195158.2246 336390.3291 172676.2995 215260.0969 167139.4598 83306.09403 167319.4296 145680.3098 PC(O-36:3) 1663284.693 1963309.317 3157185.198 1950266.026 1543616.332 903847.2957 1063385.048 1504754.615 2089942.232 2371769.383 2497539.533 2286286.02 1885032.784 1716500.146 3004097.291 1585037.979 3684655.585 1774954.939 3420668.503 2134742.474 1835012.119 2933054.268 1148798.022 1367090.235 2108033.388 0 1512005.928 2308115.704 1367580.98 1546120.344 1694242.628 2949092.609 1245832.73 1619888.48 1680917.872 1080892.224 0 1890357.598 0 1678668.173 1421718.922 0 1501997.008 1493393.546 1738444.166 977750.9637 921341.6893 2011369.686 1767425.217 2175436.126 1645707.427 1290206.572 1441527.533 2083948.659 1536445.199 910803.6189 1198061.599 1104007.832 826921.0888 1211256.246 867513.262 1385926.88 2623055.172 1954598.786 1733358.848 2387138.67 1287770.643 2619535.364 PC(P-36:2) 15940254.33 15401972.69 19687935.6 13661448.25 14616349.58 13371291.16 14226579.82 13959250.87 26908944.74 26856730.48 23953536.91 15312867.52 16636330.57 20607642.2 16872650.45 18405356.23 19288522.39 21739483.57 15794169.65 15841324.93 13122447.97 18917359.24 15974767.76 14485928.72 13805704.28 14705899.81 12042273.65 12179898.72 14140158.79 15896793.38 20337265.94 14292484.23 19805416.7 14668313.81 15136026.73 10824012.37 18310281.9 11664021.59 17835660.72 13056778.65 16702965.44 17783904.27 11933106.24 13251095.05 11601763.22 14837478.71 13824023.24 16987814.88 19428426.59 16605268.26 18132105.6 15545800.48 14180993.5 10666741.23 15171628.84 12590722.75 11105630.76 10954684.54 10504335.46 11195062.34 13788554.09 26861693.26 17851232.85 17273359.19 14863263.43 16257672.67 15563401.23 14970791.48 PS(O-36:3) 1797011.747 1815444.567 1888324.025 2090560.439 1635612.549 1825631.657 2065549.803 1594737.747 3215359.267 2732093.228 2690523.307 2069024.911 2084326.372 2373227.861 2213800.314 2155564.563 2048758.908 1996174.088 1748318.367 1978485.861 2032402.942 2339066.298 2066400.78 1732086.171 1723389.007 2107399.236 2097231.2 2162329.481 2019905.142 2233942.118 2646936.866 1795603.773 2545821.272 2180617.479 2237227.08 1513933.899 2036222.274 1522841.377 1886222.137 1782916.374 1927398.076 2094499.657 1406278.332 1522381.72 1467227.924 1699001.455 2204067.501 1914949.54 1923999.641 2141293.193 2126400.124 1806748.622 1919119.088 1188915.432 1333600.852 1407695.403 1292502.153 1614907.584 1597918.666 1443710.839 1665562.267 2658449.915 2488001.497 2292676.491 2319807.226 1522446.854 1914579.2 1988163.587 PS(O-36:2) 6245369.203 6851418.859 7088746.319 8067136.423 6112640.091 6723242.474 7422342.629 6430841.69 11400105.48 9486172.853 9553413.941 7693421.362 7651308.154 8644923.431 8398494.17 7663682.153 7775022.983 7685889.534 7103927.835 7171000.9 7638656.18 8920380.781 7899758.2 6397155.125 6243547.737 8027987.472 7574387.417 7809464.473 7389604.837 7737110.51 9782466.172 6524634.546 9455308.49 8061599.759 7513121.002 5931532.553 7286236.205 5590265.704 7016861.445 7072608.148 7651210.328 7398647.647 5488205.328 5789969.781 5948687.408 6201053.508 8307339.639 7367708.662 7237510.067 8219595.144 7664019.968 6809160.546 7813207.45 4459391.779 5298383.981 5243487.803 5104504.766 6106336.254 6111282.649 5381867.649 6528688.944 10516632.45 8444928.652 8932155.883 8826268.352 5986695.329 7876484.558 7588367.692 PS(36:4) 53761.4994 73880.05879 74536.51543 80575.22179 84546.43958 77575.68369 82818.86456 118996.5364 51833.83658 58495.51183 79034.87878 61910.57182 70965.45535 67763.03051 81517.2279 61698.87808 53771.83817 60176.42356 48754.96691 78632.87037 103362.0571 110698.1526 89008.76234 91562.034 85424.01336 97814.83507 81079.35059 97702.50168 80790.43602 99336.75589 91005.28775 96726.93608 92808.80863 66979.89829 71598.26731 67731.58917 76742.48749 83100.45733 80316.56726 68616.582 66977.38235 94682.16161 66556.15323 69923.50657 50872.94961 71261.01304 59868.84324 69526.10801 75555.69906 98268.8401 83823.02429 85909.5499 59361.5876 47552.7756 59359.58532 66235.29972 57918.69097 81293.1148 92059.76532 87468.57722 79176.52468 106963.3769 89334.09415 95755.58902 70030.39639 70794.06339 72675.70619 85102.11858 PE(39:2) 121577.0183 109905.7209 204469.9842 147957.5556 129622.1694 103645.3424 144591.1729 137904.5141 105320.2476 136630.1797 160342.6967 115002.5363 112000.6516 133818.9429 114874.1989 89651.79132 125663.5032 106755.6061 133560.8481 147751.7631 126484.6206 251712.4307 94990.3181 111263.0283 104478.4485 100036.5906 127663.9689 162658.5509 113556.5433 125963.7458 123702.5416 162903.2471 98281.58471 103978.9506 108282.2488 104613.4356 186683.2346 159131.7485 155570.7121 135597.9585 93623.75201 104520.5841 111455.2742 125937.3054 140790.2245 128057.4061 124561.7524 116375.1783 129047.9513 130602.5484 109756.6887 100060.9733 120663.6195 170647.9922 130899.7623 92649.96009 99285.88194 109964.3221 92541.75106 107179.8045 104958.4386 123327.734 113139.9873 130319.8273 123132.1902 204759.3889 124060.1047 152718.4044 PC(36:2) 19055016.67 18017402.01 22903893.21 15515501.94 20097480.67 20862066.73 21031927.12 19362831.85 23405175.9 20721356.71 19098090.24 17088272.45 17899849.35 11366070.7 15056759.82 15623151.22 17180060.42 18688327.99 13104332.9 19042421.67 15042806.21 20301556.26 18423454.79 15430663.2 14130544.38 16724356.65 15454251.19 14114353.22 16134283.75 16727222.88 19805572.71 14436852.76 22806237.42 17584820.65 16406990.8 15153617.32 25251434.51 17954043.71 23675655.82 18049076.37 21929743.75 20172786.93 15493259.49 16844612.35 15049144.29 19522998.3 16987492.15 20351738.62 21856979.91 19464453.53 20650453.6 20373688.82 17726241.88 15394047.01 20646607.94 19096804.63 17629706.86 17734162.88 18279296.25 19004246.03 23179373.75 28608795.27 19844331.66 19569817.35 17149919.34 20287936.07 18676081.48 17450615.84 SM(d40:1) 147481.1483 160733.8125 176560.3377 138493.5873 322169.8872 436782.6334 426055.6153 290873.6561 346551.9078 272097.5143 228445.1748 190268.4009 188673.384 230117.6201 204275.1882 281381.8151 197127.6616 216358.0388 192849.872 317686.1777 263048.9714 420569.5195 289776.5481 264919.3598 236253.3628 299097.9077 246416.7808 178213.5577 236145.5664 246413.143 279551.6711 228594.7056 307153.7632 203965.5171 307314.3837 141343.245 202833.4754 184393.1243 255672.5934 109146.089 94742.05887 123176.3268 90683.27366 110233.5295 77955.98652 130770.32 133051.3773 123587.3257 105876.7066 120260.6743 132203.4641 151853.5184 172626.6037 104207.9633 99974.16973 330166.1582 302920.8341 389420.0062 362677.3336 294875.1542 415187.346 318366.5151 285815.4339 246599.1999 183352.9384 121365.5224 204204.403 187899.0611 PE(40:6) 206066.779 138016.266 115809.6852 167611.9274 235511.9576 180860.8616 291172.3224 191142.0556 168730.2408 162127.7584 150888.417 116684.143 127383.554 136731.0338 114688.1884 183112.2942 93406.3779 148410.2936 92784.91659 171612.6947 127311.0747 173649.8229 167376.8318 211587.1465 169177.2701 178632.0784 163030.9037 148130.5401 152669.9519 203522.423 194250.5482 127703.888 190445.5978 134948.9562 168805.9281 118651.8089 186917.7977 84093.30184 197089.3039 131052.8315 160545.9994 173838.2242 134546.597 135619.3664 137531.3929 209308.5255 174682.398 120143.5481 166618.0406 167520.077 181030.2497 158103.2954 143124.0102 134121.1554 101994.1298 240234.6415 164416.7174 249656.4155 197331.6593 203221.9612 188348.3017 278266.7024 209058.0031 210832.6596 166406.1059 107839.4206 177504.4266 168227.5818 PS(36:0) 2368033.569 2448457.653 2710134.147 1970374.58 2561540.025 1875823.202 1874583.509 2735222.897 2333202.946 2478952.047 2438784.582 2088994.518 2149459.362 2121402.606 2227790.427 1829054.614 1876223.857 1811914.564 2254243.037 2420272.917 2188983.952 3274829.045 1776324.504 1659635.796 2045542.477 1859327.467 1800364.944 2172915.605 1790254.913 1873004.98 2202340.639 1985330.546 2131599.422 2016736.601 1802917.569 2401543.608 2425217.93 3569086.486 2344744.223 3413651.768 2391433.726 2106731.4 2279353.996 2809934.945 2148316.394 2265134.566 2188782.669 2171606.619 2358743.759 3131135.846 2483388.544 2483436.798 2750311.03 2379610.12 2458995.174 1654052.581 1666211.351 1740179.683 1994678.245 2057212.201 2153249.557 2243597.542 3069536.386 3257427.8 2444949.408 2501536.33 2107483.137 2479493.483 1-18:2-2-18:2-monogalactosyldiacylglycerol 62720.33459 59795.4005 58207.79707 82168.60254 71312.78345 98530.18979 101980.7761 88797.09728 76374.94528 55393.06475 67783.72986 52743.96314 45102.65184 58554.14393 53416.65732 71119.4301 61947.9058 56393.44503 49346.72561 76958.54672 54470.81145 60451.15801 66125.10794 67159.39473 72642.57687 93956.13019 74046.86662 30992.8018 49906.75501 91816.66064 76261.42418 70148.49273 114995.189 81340.06223 83719.75772 57518.57408 80351.55494 75539.59695 130494 62383.06827 83680.01046 89310.83567 44912.6981 69575.64777 53075.97425 112693.2742 91453.01148 70597.70169 99551.01419 50041.82906 82480.17818 73699.73729 92420.60485 49453.43756 54010.65854 82923.51987 70264.38484 93008.44542 106215.225 92863.27916 103732.5818 132223.0766 54529.19314 68994.44102 67931.72374 65043.81893 96113.11072 70399.98909 PE(40:4) 800322.6669 969716.3132 1070941.827 903026.1206 582446.0248 825508.4897 1126726.979 956380.7126 568214.1649 629188.3686 709862.1221 690541.297 835461.2538 1060158.892 742706.1724 717746.6279 614129.3239 881605.723 576301.7488 968673.9345 833890.461 1131042.571 899604.8355 874727.6228 877032.5393 1028751.492 537951.1315 745756.7496 892405.3061 827323.6243 934128.4246 1046999.993 1349770.938 1049772.297 979623.2197 785805.8133 1160217.1 751952.5256 1114931.814 767871.9366 970689.357 1241900.467 522819.5882 932960.4723 777273.4686 833942.4432 987781.969 821840.7342 1045725.155 1003038.205 1069485.733 1064393.319 787651.9274 757805.8277 1139741.159 948361.1985 923583.9393 829024.6 934909.7105 763933.0511 1060034.897 1581582.649 797100.7125 698076.3527 807333.8821 716539.7603 1075777.753 791169.7065 PC(P-38:3) 650677.5747 685101.5404 739751.6782 557663.611 507422.5021 554865.1138 323896.6865 536343.1249 1111050.182 1139374.796 820454.6983 594432.6177 666175.4467 756102.0937 588890.8254 610821.6739 809497.5549 849366.2715 631163.6419 617110.868 603127.6125 671774.0268 694462.2171 532343.7423 476911.5574 534276.649 548873.9128 518380.43 521363.9703 587367.2746 849296.1056 386117.9581 710584.6859 434716.6565 728432.4071 464838.6164 736303.7815 489719.7098 627814.7147 449537.0165 489417.3757 624306.1989 324030.9942 419249.1129 426350.9589 450035.4529 474871.4196 1125182.557 665506.2933 619398.3625 571069.5325 400049.5403 380865.8987 428388.0704 384084.0899 455918.9262 327235.0104 214569.8383 272741.5502 286648.3742 399553.3328 787731.3712 721343.3515 938834.5299 629004.9282 668675.7716 560255.96 678021.0041 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphothreonine 194997.263 193324.8922 199154.3028 208261.5057 219541.1166 213562.9597 231490.678 236371.3301 342920.2295 347130.1872 466831.9104 253725.4534 249287.385 266329.7919 244512.1798 223034.1105 200451.2956 252447.9355 280668.171 217417.5934 227169.9782 232045.5144 198404.484 273404.5025 262726.486 226203.4116 229240.0769 231645.5532 222471.421 242566.9384 284565.7875 263843.7704 252698.0807 211698.2007 337119.105 122601.5716 148047.9694 138100.5653 223357.0742 195305.3472 167964.2429 161390.5591 162474.2892 162825.4039 148165.9834 203974.9847 195081.4983 246855.6305 208937.6294 238452.0131 226116.3126 168437.3904 167289.8299 189543.6735 158411.8209 224636.4422 252457.3674 244850.3414 206727.0046 222772.1178 185111.6188 279227.6769 266865.8844 333989.0117 199993.0211 187259.9767 187722.4738 219356.9964 PC(38:6) 23635549.53 24410673.7 33179269.95 20687335.92 27309495.26 24804504.54 23406499.54 24766412.83 23405175.9 24541495.09 21903459.42 23450140.11 22743338 31017688.26 22244660.23 20759529.7 23271172.76 25648776.67 15587259.13 27989076.69 21844074.98 33989726.77 25303099.31 22883568.56 21845496.77 23788955.58 19970103.81 20419241.97 21844732.5 23726557.28 27116354.58 20283778.13 31358576.45 22988936.26 24263859.64 21564763.11 32910637.39 23999793.12 31725378.8 23502201.57 28065526.97 29462886.18 19976415.42 22309753.25 22010202.21 25770357.76 23991107.33 28256959.4 32721560.57 25732667.38 27802561.92 28001752.41 24709306.86 20848630.59 27770677.13 25320948.36 21423441.25 22408283.33 21997119.22 24268935.81 30198479.89 33413325.77 24177155.17 26359345.82 22138986.78 26572414.58 23769558.24 23420563.36 PE(41:6) 2042860.625 2539921.638 5059082.918 2137150.125 24617009.81 24804504.54 23406499.54 23978390.61 23405175.9 21647450.86 21687661.79 4641734.419 4173589.243 10282329.67 4296732.039 2226282.864 16633422.14 1598241.303 4946174.587 4861123.96 3763566.088 3008749.658 5808497.271 2608002.257 2252646.313 2847617.459 3034886.531 4229916.904 2331529.542 23726557.28 25920044.82 20283778.13 31358576.45 22988936.26 22530726.81 1846264.071 2188584.014 4352349.352 4032011.932 2953211.189 2115987.339 2121359.657 3274587.089 22309753.25 2095932.113 4128013.044 4526144.427 3917403.988 3191467.692 1830718.729 2297185.419 20373688.82 24709306.86 18242551.77 27770677.13 21218671.81 19861315.32 20208697.23 4965959.649 4027390.413 7571926.854 33413325.77 6112847.492 4474690.658 21931108.97 2781098.624 4826133.966 6386430.35 PS(38:6) 146631.6742 141783.014 148446.8383 175870.3187 125947.0545 126564.5737 139596.0903 154325.622 127914.2134 123060.8202 127564.5878 150999.8537 199429.9651 117560.0759 160607.9719 136895.2961 100395.063 122066.1723 139683.0717 137432.2917 171473.2381 250005.711 115256.337 130552.9565 173754.5843 175275.5829 175863.0909 160155.0107 134570.1096 159260.827 141560.5491 149171.082 128404.204 141611.1772 150396.6816 133177.1521 156093.8816 246918.883 134487.1707 152814.5692 125574.8845 126662.6854 148518.849 133133.3824 149684.6956 113332.8761 126895.9144 150648.962 152891.5017 166830.6079 150894.6902 126607.766 153984.8082 175960.6808 132728.0261 132774.8995 125442.4514 127931.3855 118566.8325 117739.129 122694.1793 166979.3932 229499.7498 180053.334 188929.7803 230631.3531 138635.1526 180668.7229 PC(38:5) 20887229.82 19761021.56 27217982.68 18052628.05 24328529.23 21190603.21 20183865.54 21839473.13 20041557.8 20952880.25 18342798.53 19233553.41 18391217.76 8894482.509 19369500.07 18298348.35 18507610.55 21358089.13 17035632.77 21997280.21 17283224.16 26530442.84 21105350.11 20154335.61 18272255.66 20184568.37 16357421.71 17410090.52 16859420.1 18625347.47 23128655.38 16097090.83 25056852.95 18099498.32 20104340.84 19066914.1 28841685.86 21007452.5 27621598.46 19815581.72 24656758.51 26675856.4 17537051.16 19614615.27 18629116.93 22646678.03 20712819.37 24808937.57 26202812.18 21663826.81 24276874.72 22980748.53 21593785.56 18545584.19 24076715.33 22208876.5 19414993.63 19796274.84 19518570.57 20673537.91 26607309.31 27516856.51 22097399.89 21167353.46 20060208.68 22268912.99 19807965.2 20297821.58 PE(41:5) 1635261.68 1758110.239 2275662.196 1190879.788 3940660.881 4284655.371 1659105.055 4239594.758 2212024.05 1565708.173 10465410.33 2140179.996 2809737.949 2126824.328 4616250.101 7907881.637 2652943.174 2996857.177 7586719.047 16744198.37 11762194.22 16379664.71 10199224.57 9793696.025 9826413.044 12573648.15 2674460.528 3722173.108 2191486.904 11863278.64 14754487.05 10538902.51 16054390.81 9092638.968 12363014.2 10490965.84 14001980.27 12091498.82 15783770.55 3139338.833 14657704.37 9968226.058 3046762.005 1590156.111 2935158.583 2741506.624 2241662.572 1792050.268 3649171.385 1680860.857 2264453.695 5512325.525 5510957.533 9212185.61 2354664.17 3728436.795 3291399.601 1748535.876 10675346.8 13611149.18 13015622.37 14710468.91 9792181.126 14078286.97 2002141.479 5941156.085 3516675.015 2955390.146 Acetyl-CoA 340550.2217 389455.4378 354717.1092 418948.9248 272140.4425 332180.6978 296833.6105 328605.3037 222866.5025 235034.575 264062.7591 304207.405 286072.2116 318856.7896 344710.4477 267102.6328 239104.1254 248163.967 253639.8594 220601.9151 216635.7631 192441.3308 252517.6615 303858.2973 286629.5403 333970.0836 315494.9944 311398.5001 325590.9509 323012.2016 259522.808 272651.2206 307651.1023 314336.8986 337106.0705 282144.4828 227292.2496 237680.5275 197708.1264 318276.6207 303316.1233 328412.992 272257.8159 360009.0444 324966.5064 353821.1145 338885.567 354138.5696 408727.961 399545.0575 356230.5238 345380.0715 393876.0202 361875.863 332706.7705 320065.7611 283346.2979 291051.0148 298595.3541 298972.6638 298883.7415 225793.0741 238297.4668 289026.2955 323295.7605 274151.3455 321434.0649 302830.3814 PC(38:4) 17497635.5 16176914.71 24002025.07 15320338.4 22020684.56 18890847.82 18826967.02 19362831.85 19060502.53 19216453.71 17803304.46 17532123.68 17127698.99 24325515.79 18385892.64 14767088.14 16008692.67 17734841.86 13311243.42 20109453.92 16083000.26 24069648.14 18773267.23 17635043.66 16323215.06 17877760.56 15052842.07 14974110.78 14774653.1 16608590.1 20736035.86 14725589.81 23556442.6 16040787.61 19180003.33 15569925.49 24174359.1 16549475.66 23044305 17127421.41 21475241.29 22827101 14438399.27 16844612.35 15910989.55 18611925.05 17732557.59 20519934.81 21090068.34 18584704.22 19542380.48 19697784.45 17941105.42 14787982.16 19261372.26 19521178.07 15844420.09 17459214.62 16885112.64 17848582.42 22036728.57 26424917.76 19064423.43 20568277.42 16942041.53 15574577.18 15987857.63 16991389.11 PS(38:4) 547654.2337 476915.0312 485860.2572 566221.3496 493002.139 496349.6859 584197.1294 489386.1469 586378.4034 590929.0315 557104.4423 481118.9238 571710.6589 587606.2699 571382.9443 456330.8122 392530.411 352920.2543 445259.6268 600216.8747 481621.2457 690348.3647 487560.2244 466138.0947 422839.2326 506089.9355 525133.2916 492550.6711 520135.7706 626850.6015 731051.6026 492838.1062 644711.6543 548217.2916 513834.889 434394.4945 512829.334 454564.5548 457939.6646 550562.3532 394329.4245 425709.176 406024.1048 393978.9658 363931.5254 389909.5802 497841.9269 538054.3459 496598.772 597795.7745 571734.4393 450525.9579 498943.8874 327871.6859 361495.3485 453811.9121 397879.7842 539332.0231 491067.0974 442881.9156 483525.5113 646879.1889 637009.7081 705473.7561 653918.8889 424989.6098 501698.7513 561638.8288 SM(d18:1/24:1(15Z)) 284806.1102 269630.3909 281497.3776 277113.543 499219.707 712643.3228 661455.7511 576730.1083 481311.7192 372976.643 246413.143 383386.5811 297094.1535 363242.5571 397000.6971 368642.3647 337148.1923 324952.4206 292501.0603 665616.8202 503381.7551 683726.0394 548746.3178 392657.6308 347071.4212 666601.3176 442810.1764 274975.7444 322581.3518 443460.4404 546675.2623 285549.2627 638271.9399 334225.9741 337201.2484 241860.501 331904.6757 226970.8297 342142.2046 140293.9106 154506.567 187229.28 139684.5801 188573.8795 183776.6943 222365.3848 243605.6433 168177.843 266670.8326 187848.1969 166075.7956 183881.2469 229412.7874 160104.1116 170655.7892 778486.457 624969.691 636474.8096 594188.2273 577068.3047 745622.7092 687464.7778 408202.2893 317332.5449 211479.1633 231642.9321 263067.0435 335644.5423 SM(d18:0/24:1(15Z)) 115627.493 152508.8624 172857.6479 141661.8387 247208.4179 358910.9653 350575.9616 252070.439 218245.6227 183616.3986 170064.1102 188521.7655 183578.8807 224263.6787 176320.2612 204126.3856 158709.386 159602.3137 182462.188 319837.6328 246927.864 329443.9128 248111.7739 168291.8351 178293.07 236238.2734 172201.2675 172736.9357 179831.0244 203356.6523 295936.5041 178407.8067 216586.0636 163985.4221 200831.9302 125565.6858 138405.4892 145165.1227 180496.8741 77616.50072 76097.94182 130134.0824 82765.65661 90452.84863 83854.49909 142504.0791 127570.932 69882.17146 105789.6801 84126.56062 89135.26691 129975.5048 143842.1412 110307.8544 77480.63756 373596.3589 287060.9149 265530.8326 256311.1206 388970.3286 335790.6708 299301.9813 242647.7028 266570.7102 146561.7328 121540.1281 158624.5508 146295.114 PE(42:7) 260107.3618 351765.0125 391582.3029 320411.2771 363695.4353 304640.7164 445628.5849 356178.729 312978.7071 165355.4136 343835.5562 341900.1995 299654.863 349694.161 194592.8026 217039.3615 252111.9203 244371.9229 266283.9241 363328.3539 357063.6847 392301.6931 296750.4416 320134.8259 408491.9336 320651.7828 233853.13 277948.7368 312798.1577 350830.1813 300844.718 288901.4097 353828.4348 416410.617 282261.2625 359045.2659 424431.6238 435066.1351 448826.0168 402737.7296 448648.1499 451541.0435 334191.9971 361789.7305 383877.7739 418671.3901 434948.2984 290334.8966 394301.3556 416393.494 377891.2757 323086.9652 352437.0354 367890.0717 355472.418 236270.9274 350986.7515 391820.6911 352124.4772 285465.9256 340063.6792 341560.7956 277417.6365 238506.4626 428470.9863 277168.9625 420616.3491 321516.0875 PS(38:1) 177693.1406 163508.2714 209052.1477 162220.9918 171845.1041 142216.5523 134582.337 165519.5657 165103.5335 212042.4065 198763.4584 178952.0671 182261.5746 182232.3045 170289.6601 138638.1285 133351.7144 138875.3877 145931.2198 181266.8229 164702.6501 258512.9955 120696.0296 119808.9062 142301.5862 123787.4411 122748.2203 165273.255 130658.4522 132025.9924 157905.858 156381.9629 161055.0205 158943.149 145417.2736 159374.6706 171443.7955 245911.0863 147467.0407 248447.6964 185015.1867 145740.6818 142200.5041 167082.751 158050.9446 157446.4432 147008.5835 125014.0104 147683.0039 193806.0071 167344.5709 164166.8515 173706.2258 150549.3952 144621.4493 105740.9744 111479.2337 144210.17 117513.5583 136169.0745 149560.9685 158819.3008 247722.0349 284939.7233 199262.9965 175245.6505 163258.642 169881.5012 PE(42:6) 1222561.281 956088.8366 1445021.722 962706.9501 1538647.133 1240858.994 1203039.058 1252053.758 963028.6491 943975.9474 1237117.773 973596.093 1103501.144 1255959.177 750928.5157 1089143.443 1225654.6 1295559.16 925707.4048 1106097.018 1026784.045 1475259.783 1083271.886 1009232.292 1035633.79 1146321.556 841696.0969 946388.8775 1088916.86 854995.2408 1327036.178 993473.0151 1582860.156 983359.147 1299734.515 1223019.833 1587021.543 1216149.44 1993787.744 1342496.445 1496828.721 1750417.274 898883.4788 1259514.339 1324186.056 1384108.67 1403682.995 1471654.824 1340757.796 1377928.254 1235411.624 1253941.405 1426108.12 1308132.023 1513698.64 1490426.208 1010877.977 1149145.057 1114467.392 1289908.705 1559429.913 1841118.61 964898.9975 1085878.618 1158046.874 1313171.671 1202859.468 1376328.349 PG(40:7) 77326.31548 144993.181 153778.9794 120733.5444 94134.66273 66060.65959 91762.2967 83166.66088 102310.2365 112899.4149 108649.9423 107104.5503 112357.1679 115277.6916 135616.7771 97519.60458 88085.01887 76681.83446 80678.29111 98768.31394 98360.68031 123408.0971 86643.1831 65674.98067 78529.10458 69805.78974 72672.4167 78924.94886 81735.07482 71605.58671 82207.18755 72527.77629 79113.84827 88346.40699 67679.09433 85062.25755 128161.5858 124332.8977 97622.85512 103832.6642 82613.76722 78507.16049 87094.77105 81184.45749 107913.2619 90001.48992 86533.77508 76991.74544 95387.45324 101484.1176 92764.16703 101792.6916 101342.0915 108380.3031 85383.92761 73088.29526 53434.50913 58883.96151 67302.1202 71945.90325 59786.87525 110144.7234 132209.0008 167773.6323 112678.3562 111916.7642 76616.5904 123969.3328 PE(42:5) 1333689.932 1206351.156 1395394.691 1100718.621 1447491.957 1384962.077 1264006.311 1573630.15 1102051.189 1114625.87 1449873.736 1041481.197 940607.4258 1415645.566 1169241.196 1020466.785 1097643.627 1132169.421 973365.9669 1237863.599 1033790.152 1496026.295 968901.6582 1132719.323 985810.7287 1195773.569 983519.2708 1048460.369 1021625.566 1050713.536 1439265.818 1144126.627 1544628.857 977560.3379 951482.9196 1224456.929 1897922.202 1420771.875 1954779.536 1439558.521 1497787.721 1502164.92 949829.2717 1160839.067 1213403.388 1561467.626 1409629.456 1733586.22 1524847.89 1383652.673 1251922.039 1487056.839 1234899.043 1376572.805 1115700.724 906303.1386 963521.0833 1182945.048 1180542.401 1221406.424 1342257.749 1566075.481 1284088.248 1288324.01 1285036.18 1338178.943 1391064.672 1246884.158 PE(42:4) 1019496.755 847260.217 1382676.069 962835.88 852909.4335 1023841.037 964338.3462 1089463.876 967710.0347 877937.6926 947288.4065 785193.3583 893889.0822 1326410.094 841713.5422 626795.8779 835726.6749 894478.0241 669094.737 925972.5351 824133.3408 1256335.471 966495.3859 766587.6718 782387.3306 904386.7967 673556.4782 760888.2139 713016.7141 776608.9237 969694.963 663181.5997 1014959.994 759208.6549 975480.7433 845612.8013 1465460.569 946840.5403 1364777.655 848209.3356 971120.7793 1307690.71 834363.2006 261418.7215 460233.204 729157.7933 960459.9535 756015.6322 1168826.606 1177177.434 849862.933 1010212.524 857891.6909 750234.2597 400597.1298 1048343.492 731867.572 838294.9102 847295.63 885967.5169 1132017.564 1461077.244 1022430.986 925506.2736 964399.7943 866289.1491 834193.6192 860194.0101 PG(40:5) 299548.9273 417551.3543 533644.4848 415850.0326 320289.1441 285871.7865 348862.0292 322765.2147 427276.9025 442734.1425 529191.6596 382485.4938 362775.4132 434176.1994 410755.4066 316267.0545 291610.0751 241152.8494 230949.0604 408019.8198 377905.0226 476774.0223 282734.004 292632.1946 339653.1138 263009.8143 248323.8191 323908.4427 258976.8667 302136.1306 335837.7338 286760.4019 317644.3041 317863.0572 236438.4761 279782.8967 409728.1234 388551.8033 321233.2465 351866.5518 270870.8615 271470.8632 314235.8342 330410.7444 323159.2211 268804.9239 307465.7614 283659.374 372495.2634 317823.9755 283432.7641 352961.2745 285380.4753 340178.2871 265816.6669 207389.5301 296437.1399 215725.2439 233658.8803 348788.4265 239742.2631 379659.5284 538415.226 544183.4526 341258.2547 399000.1745 315153.5692 416568.6161 PG(40:4) 386706.2759 557987.2557 651841.5161 508615.5354 416377.3087 369339.0725 472726.5376 442999.2889 668012.013 680325.3343 868979.83 560979.504 543065.1966 538945.1469 601086.0443 378260.3003 349752.3534 266087.3757 329230.5657 567380.0345 537669.5014 681186.951 402605.032 453847.46 504175.1333 397066.3235 338062.4661 409506.3752 443241.1226 380101.8203 478345.7041 386407.011 425368.2585 405243.0228 379430.4379 364774.1867 520618.7958 507683.5244 362392.1904 450525.6834 357094.4168 304677.3899 362807.8413 345550.682 465979.3087 350207.2041 351345.6922 335498.5688 453941.7521 432708.2043 347796.6079 447533.7835 335274.6089 491586.6561 346913.187 306146.1134 309390.4066 275724.0239 303164.4037 411360.7091 333403.3076 603469.6415 740946.9407 704643.7238 408750.1382 500308.4444 369698.3606 558511.4947 PC(40:9) 465984.793 366200.0028 534974.45 330699.2625 298941.9114 265968.1735 332509.7058 280874.4983 322420.2693 405806.3552 358613.4791 384194.2286 257347.6039 481723.0225 265426.6293 436242.9576 382201.6562 389644.8152 345583.7817 311726.7513 310014.1077 394354.7985 278553.1806 466289.0226 323674.3307 476828.7542 246659.5549 294675.835 354858.5586 351325.6956 394870.1583 261818.7988 372722.8679 399716.2155 239252.795 338629.175 489253.051 298275.2914 624521.8256 329416.525 372849.8157 465794.9175 224521.7855 330551.3501 268611.7496 393664.8289 331040.8893 404384.3947 389763.0764 485686.5017 562066.1866 415267.8591 320812.6813 324215.5998 357491.8113 230556.9601 271844.1521 252860.1642 312952.6376 270115.2017 323845.7948 392003.4865 371354.2792 319592.4345 416923.4389 411551.2003 427012.0227 402782.1416 PC(40:8) 12917102.65 13077146.62 18981993.68 11807394.56 16731873.86 12950100 12707587.04 14634698.49 15416582.92 18174597.78 18558596.16 13019636.15 12564992.29 17952018.21 13770503.95 11556851.59 13509774.79 14969732.11 12276690.82 15348848.5 12722373.34 19301858.41 13642684.88 15220722.2 13074814.05 14561724.32 12042273.65 13899413.83 13233738.36 13880036.01 16349566.73 12776614.69 18004924.28 12352264.26 14558315.78 11823151.98 17352881.54 13862475.92 17519985.31 12595951.17 14998581.22 16058600.12 8966311.874 13400824.94 13060270.59 14186712.1 12930813.46 17492403.44 18405877.82 16935174.26 16318895.04 15159569.41 13536402.89 12060690.37 14050247.58 13787413.4 11269622.74 12868257.77 11841327.34 12589641.43 15131699.23 18623596.3 14904912.86 15376285.06 14447507.81 15164719.89 12887336.64 14052338.02 [PC(18:2/22:6)] 1-(9Z,12Z-octadecadienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 5680817.154 5292649.62 5559904.78 5086748.042 5499940.506 4845831.414 5854627.87 5092030.203 6415896.892 6079982.346 6692996.936 3393030.733 586889.3363 5016682.459 3301247.175 356920.7879 1287355.81 1482668.178 1281286.409 843796.4319 1159527.508 2861112.935 1453946.549 1198099.411 2007218.857 1335301.38 1514250.307 4253050.114 5015305.395 7094390.697 6304246.052 4817641.288 5491994.039 5466525.857 4819193.057 4305399.127 6767186.985 5424862.549 4979363.31 1545955.138 1634949.746 4816125.805 614602.3166 3623372.318 1555240.391 2639045.862 2119480.407 1312477.001 721473.8225 1724259.578 1116261.276 4728263.422 6413823.251 4861370.65 4633519.999 6272107.124 5048104.768 5094908.829 4056963.165 6512215.163 5551359.216 6924956.535 5032996.087 6032819.047 1410042.072 1826540.986 1858756.286 1637660.276 PC(40:7) 15207369.08 14820766.17 22197951.29 14637265.98 19232038.92 15159568.63 13995905.37 17223914.38 17098391.97 20258309.63 18774393.79 14573115.46 13337142.65 19332942.68 14981097.71 13590001.4 15227780.83 16399961.29 14276825.84 17236674.79 15202836.07 22224052.12 15391747.04 16480368.18 14130544.38 15715128.23 12644387.34 14974110.78 14684011.06 14829098.3 19672649.4 14581221.29 18755129.45 13638958.45 16060364.24 15320140.59 21541508.11 17160157.42 21623765.65 15437720.64 17839221.6 19641924.12 11603462.42 15871368.08 14783961.13 17961158.44 16391439.79 19594855.78 21345705.53 19244516.2 18837243.04 12745625.24 15899901.81 14909195.13 17414391.36 16550564.01 13612811.63 15122154.39 13904922.79 9845143.878 20241143.28 21087414.14 17157981.09 17872435.24 16942041.53 17897101.85 15138944.83 16624007.72 [PC(18:1/22:6)] 1-(11Z-octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 1823839.355 8278091.48 2476949.767 1295791.538 8560723.827 9068028.304 12864532.71 9784526.382 1545440.436 2470552.373 1028371.264 2368991.04 7370526.203 866326.4896 1157354.584 1965642.421 2518457.27 1108618.552 1144533.642 2505386.385 3308972.684 4068403.806 1755758.74 1289087.838 1887343.114 1509772.825 7480470.728 9385686.66 9789340.704 10666482.62 13165929.92 10177981.2 12143804.53 12180705.03 12131929.82 1146793.495 1935618.345 12763248.76 2273923.233 1861038.536 1193033.168 1293287.739 2008945.029 1662384.499 1288145.096 1810468.339 986806.2127 1709304.367 824104.6457 2340570.57 1281372.23 1317688.481 1774900.801 1417748.699 2639022.052 1034569.037 1959294.906 1013469.431 1376560.744 936422.7468 633940.824 11621064.07 11092028.18 10184292.7 11017523.94 2070334.01 2333822.565 11388822.97 PC(40:6) 17406024.85 17242459.99 24943280.96 17271973.86 22982286.51 18890847.82 17809293.13 20601152.49 17799145.74 20605594.94 20932370.09 17088272.45 15513202.77 24113065.87 17326623.11 13697009.29 16086783.85 17734841.86 15932110 15513007.31 17523268.94 23146850.13 18190246.51 18474807.64 16242005.03 17877760.56 14952489.79 16192100.65 16496851.93 17201754.03 20470189.24 14653405.55 21905991.2 14925652.65 19180003.33 15902972.02 22857933.61 18747929.99 24938357.46 18049076.37 19770857.06 22428953.89 12658322.65 17518396.85 16375060.08 19653151.63 18179596.86 24136152.82 23007347.28 21553858.14 19945316.16 15738916.01 9487587.434 6666713.27 16754755.32 19662635.88 15286517.97 18696481.79 17040021.93 17591768.29 22526433.65 24459428.01 20104301.07 21766429.51 20268086.49 21039341.11 18110139.61 18093533.26 PI(34:2) 1210433.061 1277576.198 1193215.28 1225567.791 1001220.787 1393005.267 1206216.639 1524711.7 787921.8446 953834.5091 836189.3802 1039476.377 1290714.177 1160544.466 1330490.108 1453244.66 1108916.382 1646680.305 1271308.494 1501691.221 1484543.539 1336924.479 1121865.671 1228684.402 1406391.054 2111390.915 1782937.767 1256860.854 1289035.684 1556233.196 1471345.529 1352533.424 1285765.777 1405423.364 1215236.49 1262170.077 1682094.391 1801517.6 1466843.506 1935780.338 1498537.366 1686652.356 1632830.827 1617776.222 1265098.276 1556468.925 1484611.445 1533050.952 1846707.417 1228120.28 1486443.574 1606814.903 1797941.827 1889011.387 1568370.429 954913.5243 1109031.3 1142657.137 1246542.666 1085208.739 1276772.039 1310671.826 1618868.297 1337286.121 1328562.676 2112940.725 1196915.752 1418830.242 PS(40:6) 683983.7742 639243.4381 585698.6316 815332.0645 574095.774 668807.0078 678602.549 582743.4567 590334.903 651254.0812 654867.7821 581427.4529 569594.9231 610233.5141 572898.6455 568194.2134 553776.5525 507376.2458 559161.9279 606334.2013 582699.6017 803575.4885 612820.4408 541251.8668 516927.036 562100.8512 646813.3481 591220.8814 542895.7612 579020.8649 670609.0489 532512.5626 646714.3271 564722.147 512726.7311 596994.9158 772267.7032 648048.3831 702195.5362 694960.6285 616397.0189 677698.7634 593033.3919 574702.7062 510821.5323 581040.1403 781470.8327 681259.0498 681742.2108 769322.0099 639826.8547 673766.7003 615365.8153 469540.896 493356.3036 526203.4779 518139.0722 724934.3434 602749.0471 623169.0101 709875.3097 756358.5376 736458.5147 791875.8102 784668.5747 528391.0123 599923.2674 657576.8614 PC(40:5) 10810057.54 10461717.3 16471977.99 10441249.73 13847068.02 11532000.19 12405373.52 13508952.45 10649261.83 13081079.93 12947857.79 10208578.35 9686977.295 14021694.69 10668357.46 8311350.587 9605215.601 10774393.18 9448913.722 11244878.32 10321925.54 14149569.51 10694040.09 11126872.78 8851892.742 10870581.68 8779651.421 9027454.345 9698698.66 9640739.654 11357286.35 8517743.128 12574405.05 9349977.807 11220769.9 9575087.868 13762630.18 11358680.71 14421596.42 10752641.24 11817063.99 12899756.69 8109237.945 10256497.3 9480297.942 11003670.74 11433303.44 14128479.7 14443501.35 13526145.67 12188804.32 9848892.227 10692410.01 4893925.423 10026467.75 12498115.98 3129179.798 11461951.02 10718028.18 11520575.54 13286035.06 14801651.25 11958592.88 12880134.89 12264790.8 12842195.22 10748748.46 11480668.31 PI(34:1) 1068222.632 1118912.752 837544.0957 1009066.16 1094935.388 1651130.119 1344458.203 1421824.282 684256.7993 737065.242 710084.5285 986301.427 1148576.738 1005757.77 1188543.451 1039431.859 823761.1533 1197598.473 985199.3519 1088582.094 1232899.195 1461253.055 1112363.891 1198636.072 1372829.793 1920702.432 1605149.151 1170977.164 1124788.562 1364763.883 1373089.784 1191714.102 1143769.004 1174373.403 1146811.25 1048420.707 1686218.543 1599688.653 1311629.261 1656655.788 1176624.991 1351007.54 1410797.749 1281055.697 1076637.328 1352059.635 1242260.189 1403223.89 1568239.427 1097836.83 1269275.597 1246745.559 1510322.272 1431205.156 1388289.462 1139313.596 1210968.943 1273693.096 1601868.949 1315858.489 1450235.169 1058255.033 1337368.004 1109743.436 1192522.11 1760514.513 1096767.122 1323545.517 PS(40:5) 692403.9387 658825.8598 617890.5143 706770.3901 582643.5138 635779.0297 761320.7792 550772.023 633589.2798 598766.465 629013.675 548141.7544 612385.4781 639815.3729 612138.2451 523516.2144 543528.7929 482001.5964 543587.8593 560458.1245 562525.0382 826909.8781 553814.8084 497360.4212 523188.1259 530658.6101 564552.514 512862.712 535484.0746 597125.8964 689692.4327 498468.1178 704338.9934 579344.1398 531367.2969 551192.8473 782779.0616 712933.0147 691047.015 745410.2931 668408.2211 649507.3766 599201.1926 562503.9315 573793.6241 634712.9299 769466.4781 689616.403 657606.4251 764656.7268 686842.649 658270.0236 732242.314 475526.809 570229.9163 584263.2455 438019.2723 651873.8455 544543.1884 619881.2675 617427.5606 721469.1836 734059.322 796664.6743 779263.6867 554234.0944 606402.7711 668697.9551 N-(eicosanoyl)-sphinganine-1-phospho-(1'-myo-inositol) 75117.19605 103285.476 87784.8268 111241.8949 103877.6061 95667.48843 104345.5826 117478.7141 69209.50806 71268.26752 112456.1236 124514.3491 89258.20752 80438.17031 89864.55556 72009.5267 88776.52247 82735.06345 90671.01313 89729.2683 67528.00349 93841.4145 79776.1282 122917.7632 107924.3929 88497.55047 60458.88168 107348.8471 110025.0089 104834.1992 76423.55428 111043.6697 74273.81164 131418.5085 94303.27778 62623.62454 37138.7731 42860.93778 32298.56087 90974.72537 60231.1455 63181.8561 66560.02141 94222.28104 81404.12383 63031.97774 47262.75501 80364.15783 113398.4615 124171.8043 81340.27157 77764.24597 69367.67345 79202.56597 104570.4415 87922.99811 117124.9852 84047.31771 86612.10177 100084.5415 75950.70086 62758.91096 116748.3762 121227.7173 81289.05047 107303.3187 73235.27016 109259.5327 PC(40:4) 6405130.86 5410330.862 8471302.967 5528181.637 7688942.234 6733005.346 6602590.619 7087390.851 6671765.919 7713956.247 7579313.408 5687286.287 5871282.554 8608406.476 6100870.075 4579457.551 5517873.065 5991430.278 5078066.939 6289482.878 5908277.78 8074482.603 6386727.894 6155579.17 5168122.761 5971966.793 5141223.947 5226408.153 5821227.371 5442974.858 6634434.857 4199668.196 7341921.237 5326942.269 6369076.554 5180801.535 7562933.885 5761489.877 9195095.964 5749393.109 6585782.702 6908026.888 4230099.585 5933184.546 5151271.041 6095480.942 6296997.35 7681744.399 7510533.783 6798643.85 6817022.978 6291521.117 5378592.462 5972027.202 4920090.63 7130275.794 5587385.227 6123349.365 6612850.66 6340662.679 7720420.126 2909470.528 7199009.221 8139868.832 7298874.708 6899264.453 6190095.24 6083771.461 PE(43:4) 1603202.531 1841773.343 2281079.319 1754524.674 867451.9802 405302.447 574242.6886 1037456.661 1088232.237 1255688.315 715566.665 1267409.057 1433203.12 1056210.842 1026419.411 612018.4233 903316.1563 958896.202 1468371.538 799502.8968 630839.6322 1069532.316 1379185.802 1574592.766 1478996.268 1735566.146 1296609.793 1546096.641 1744726.321 2214392.473 2192479.89 1409892.213 1861264.674 1672576.999 2055768.506 1644529.043 2189066.604 2388541.853 2464356.99 2067785.522 2006636.888 1876036.835 1638751.559 689407.6849 949374.107 440969.908 982015.9076 744769.93 1199887.244 830532.9051 935146.4732 1865008.803 2028897.57 1856153.43 1994685.614 1524148.866 1984145.68 1434005.29 1617659.725 1729782.043 1713940.231 2909470.528 2328929.031 2849939.521 2093110.627 1975796.326 2066415.035 2145544.492 PS(40:4) 476054.2356 763686.2919 692828.7487 598783.5944 571684.2566 517870.263 521581.1918 639135.5585 719364.0375 651843.7427 730172.1183 623528.6842 689038.5558 694441.3593 668404.4675 537387.4125 492212.5381 471909.6609 531383.5872 630509.715 563395.8506 909366.4945 540381.2822 493696.918 502932.8229 481988.1642 539534.816 559196.1215 452731.9677 554020.2285 625588.6311 495565.4532 566111.2512 525729.4155 507999.7196 571806.034 677548.8693 742445.661 608519.9923 773147.6433 586686.7967 484898.9283 603521.2573 639736.2452 536165.1283 583746.4753 632787.1093 604206.7997 604090.7761 806610.4594 680030.5806 646485.6913 738356.5245 562461.3561 587537.3641 403862.4071 400973.5258 532915.6758 519671.2915 565073.9208 514597.9618 780455.3738 824350.0561 960633.3469 607894.157 601726.4791 568906.8236 604355.0088 PS(40:3) 539548.351 595297.5053 642153.5908 471039.1427 573263.2671 414541.8428 432691.432 527436.6796 620024.0008 700085.3619 622949.1546 599975.3949 574559.455 596242.8902 621023.6249 445922.4896 422133.5586 462388.9531 485801.1136 623629.1525 556545.7728 773550.3327 425064.5571 412525.0689 466867.0955 388145.1948 418843.2608 514373.9598 427093.0159 456917.5505 498824.3672 490873.1152 504216.9796 449757.1466 405217.9019 468677.8623 534700.9583 734196.5718 494552.8825 676364.7515 492313.8701 410288.3164 489002.5825 634523.6799 481199.289 488887.9685 459948.2709 506018.1233 552919.1604 812960.1875 554415.949 495165.4885 543324.3205 486139.9135 454964.9504 346995.3721 350804.0734 471378.5172 397109.8446 429228.8736 473178.1961 584803.4945 866702.5398 819133.3957 524327.18 620886.3684 496585.2455 639525.2899 PS(40:2) 591781.9421 645347.0753 785723.0569 567681.2949 770034.1304 487076.4357 475395.1753 699756.4901 861133.7954 923722.63 968650.4836 826259.2141 822475.2641 813928.5053 807388.4804 458287.0166 538743.2675 529342.1824 576863.8988 801366.7662 705620.0323 1097617.481 539882.2894 552334.8159 628805.6211 536712.3137 523267.8054 691673.7901 587176.6655 532450.1559 689603.9141 634664.9807 681212.4652 613443.9485 537683.3384 507255.6312 625843.5653 855649.876 594688.5263 793975.7974 679804.7993 490940.313 594880.2214 637428.5333 528372.3482 554535.1891 532858.0005 570552.5824 641540.6661 931321.3163 747411.1219 633064.3427 664530.4201 588673.2818 576406.6657 430250.3453 454342.8606 417849.4846 463202.7889 530892.7619 547550.9816 826158.2653 1076694.185 1198589.658 629813.1182 710865.9691 585228.6753 723506.7805 PC(42:10) 3423602.249 3343137.177 4618461.428 2986231.578 2552107.671 2044752.555 2050401.303 2577292.829 2218307.008 2327665.306 2328102.787 1974459.632 2275487.287 2464315.498 2210441.106 3174957.39 3579518.691 3475667.872 3208723.16 2535521.428 1822487.382 2955391.555 2183618.699 2340745.269 1825743.077 2226788.075 1880155.795 1968776.92 2285267.882 2437890.859 2644327.748 2018927.268 2749205.835 2275661.076 2626585.048 2032754.103 3040637.724 2651302.641 3651421.424 2549158.997 2255316.205 2645250.085 1755184.393 2501629.128 2176556.081 2566473.834 2552936.572 4851336.442 4088666.041 4062834.079 3625431.409 2475701.073 2266982.753 2552268.145 2290573.768 2253275.123 1725750.107 1925096.995 1999639.215 1841362.007 2204889.978 2500471.766 2279520.978 2540115.365 3609848.065 4205314.81 3637655.346 3832578.186 PC(42:8) 3237380.686 3297837.941 5039768.347 2970789.994 3138501.673 2187750.935 2295634.209 2719000.896 2305135.13 2676254.96 2607923.797 2456243.685 2342765.626 2402123.44 2234375.49 2865971.854 3218250.914 3169785.711 3148152.865 2418890.905 2516970.137 3267735.035 2542766.168 2501795.206 2167167.889 2337807.526 1973492.573 2323758.635 2377578.872 2446758.215 2968924.802 2071541.656 2871069.539 2014231.407 3020493.499 2468965.548 3285391.142 3172740.589 3784608.826 2905107.136 2760723.794 2993022.462 2066696.154 2637019.197 2375147.274 2430904.995 2501986.389 4475151.794 3646105.976 4387446.18 4034663.21 2831198.527 2303144.286 2635281.452 2766082.3 2024955.141 1879385.052 2009595.47 2031614.236 1850377.948 2423486.163 3173796.141 2744286.491 2760501.961 3891825.479 3989113.38 3611088.62 3815832.942 PI(36:3) 406487.0494 426297.3621 425511.0478 391363.6248 340338.8452 426855.3644 377673.4638 430566.8311 291135.0515 327299.7259 342420.3283 374763.5688 471148.5156 352423.5118 470131.6727 493749.2626 405842.7372 573226.7983 497046.3554 443766.0926 513737.2369 527941.538 386802.219 362661.5237 496553.2172 783306.7799 576793.7361 413626.6738 442531.1971 531696.504 454306.441 478690.5319 462194.846 481291.7696 468913.097 411602.9492 686870.4334 707695.8842 518925.9837 689886.1499 533733.4606 632622.6212 624076.486 585112.5362 465057.7144 587482.4044 552112.2145 525109.1263 600102.5963 469346.7735 507752.9123 591820.0546 598297.9959 629568.4543 571589.6735 335651.8481 377231.6525 358893.5532 436292.9151 426908.2771 349543.579 428151.948 554742.4965 467799.6972 473457.401 683245.8145 411502.0764 518469.1624 PI(36:2) 5783353.299 5940347.131 6068816.737 5581153.902 4609444.216 6193849.872 5624667.493 5754875.661 6287635.126 6853694.653 7361558.494 4914134.798 5943852.755 4915222.219 5876875.425 6338136.957 5204825.423 7450789.892 6164881.685 5312121.967 5771500.265 6774014.125 4580655.34 5295569.526 6248515.76 8888195.385 7114796.05 5114166.088 5383988.281 6535106.51 6093203.054 5224911.762 5365897.302 5450158.249 5383502.84 5215344.289 7996988.691 8977021.853 6813983.961 9216549.636 7194664.31 8058434.477 8241095.472 7225727.052 6164499.43 7412683.321 6568507.394 7977479.55 7783832.949 6215875.362 6601054.994 7364285.632 8174061.093 7636417.019 7915632.437 4558521.139 5090586.782 5408730.651 5983320.991 5275084.652 5149144.846 7000055.168 7348726.038 6109462.839 6577924.84 9563336.866 5653173.461 6687204.113 PI(36:1) 3373886.749 3453114.043 3618354.303 3299511.762 3233822.389 4461949.264 4113141.053 4134755.437 3376410.002 3708170.999 4028558.168 2965948.755 3485384.609 2882719.681 3430722.447 3590601.965 2885499.5 3893666.653 3440530.188 3273749.947 3552153.049 4061969.212 2957058.652 3130451.709 3921327.983 5482330.254 4269325.703 3268310.318 3168563.946 3992024.107 3942459.753 3347617.779 3444448.918 3441018.506 3332168.265 3179388.568 4541866.322 5465779.449 4355797.833 5743709.186 4524266.347 4931035.706 4866319.737 4313083.206 3473484.374 4424876.502 4147821.801 4523504.413 3380446.208 3743758.076 3880992.356 4581443.958 4887351.567 4273504.419 4711765.696 3572533.312 4068003.252 3981303.069 4968799.524 3795190.628 3865853.506 3877246.561 4075959.865 3212466.394 3962583.968 5737620.952 3333469.376 3985973.232 PI(38:6) 376756.9291 399944.0359 377978.1404 387892.1227 263221.4943 317576.2502 318058.0741 304317.1218 211213.5147 181365.6824 219631.0387 326690.2962 408039.9205 318015.6207 368446.6208 400254.2663 349122.0844 468938.4194 456300.5876 318769.4976 368021.7289 496714.6781 266788.5512 301942.4873 446959.8282 368753.3664 399780.1848 319858.8503 320407.1607 376277.47 370327.1158 311728.2395 308818.8202 330152.9704 317603.9211 320108.8736 467925.9856 581538.0404 366523.6415 510760.5876 390667.3419 437856.5614 436021.7335 445597.5959 309204.8067 394367.6976 363018.2367 508014.7697 522814.9253 445196.6926 438531.7734 468359.423 458244.2011 476701.7036 475869.0225 290438.0412 269410.0425 334661.9547 302752.6111 244379.1149 336504.7731 418179.5787 466364.4331 364590.0968 419623.9666 643872.8305 413862.6288 495943.0579 PC(44:9) 1061556.353 820169.2126 1080845.015 900558.8874 927546.2721 689069.4954 811572.191 706209.7589 926882.193 899441.3095 780070.7345 828150.7601 717115.0402 705056.154 522311.7629 628765.0236 812627.7908 935003.3892 770562.2764 766602.9581 735306.9704 929141.2869 598441.0729 654804.1949 513955.5612 657296.3669 600312.4847 511915.1876 711986.0008 333680.3291 825964.8252 596338.2496 745895.6715 863547.116 822964.7653 627442.1341 935053.4394 734387.7152 690660.9539 843579.5555 718437.0113 941495.3202 622589.3804 780924.5109 716214.3833 765928.059 692592.6277 1100062.562 992637.6985 1079681.347 803186.4861 680660.1403 713890.1478 828850.7941 618228.0851 687295.0154 680112.8059 570963.4458 759255.3553 763353.6142 737354.6511 863048.4606 649572.8923 888157.4395 998106.6616 1048085.963 969665.5989 929333.1783 PC(44:8) 539324.5347 374984.6972 454736.7489 354748.9004 421567.2547 368457.4142 311745.4217 424840.3721 414572.9813 400526.9312 447532.7575 396762.5928 440805.2437 420945.3164 379536.0379 333096.1511 387752.2555 438696.0744 394764.4077 433461.6391 456790.0635 535275.7155 539263.1214 414232.4797 305736.1275 284890.6749 286148.4753 310314.8473 310261.2568 509801.0809 469485.5349 303100.0093 343186.1883 371595.7284 493749.0349 326681.1827 396647.5287 392209.558 386870.6728 395632.2739 415344.0559 422825.3883 259116.5033 353678.3478 385863.4571 426527.7293 563390.503 590193.4818 519819.3367 543470.5329 448362.9633 409266.2507 409984.9104 344793.5845 315125.3676 387061.6839 354083.8753 238378.5748 383528.6567 322378.7041 334130.3411 529202.4169 439545.7179 426207.9382 505556.2035 512672.3447 471811.6268 471982.6161 PI(38:4) 3336054.525 3572573.051 3757430.351 3341736.371 2382655.619 2986465.426 2892474.081 2860762.718 3063350.358 3550887.509 3830383.382 3087051.344 3600259.174 2873354.092 3408413.474 3274167.611 2933944.927 3862191.6 4006489.084 2928959.406 2767932.354 4382513.099 2587935.407 2847378.292 3405017.585 4547090.534 3576798.128 3168313.708 2811748.369 3847105.558 3506624.168 3251220.386 2835572.08 3336147.996 3129710.042 2106323.042 3140688.754 3590856.68 2581078.762 3800236.486 2768074.803 3233949.905 3334532.488 3002813.992 2453158.027 2642806.154 2523084.035 4498938.519 3663611.691 4153573.348 3597454.577 2949242.57 2831204.466 2860923.03 3379325.969 2521206.121 2637902.911 2721649.26 2925947.2 2907252.544 2373560.935 3842631.284 3838715.68 3170725.022 4383214.842 5893189.803 3190268.399 3828591.409 PI(40:8) 73858.90937 81070.12071 81094.18269 81616.12962 59507.1588 46442.21254 51599.64081 60952.3495 42043.78085 53758.09255 60192.60989 65726.56545 65447.49228 61924.38804 88157.4588 88871.73728 83917.35346 93843.18422 89070.44708 53302.37122 50679.01972 84682.09155 54945.84958 60861.36987 69397.65902 56514.73581 75432.21416 64606.72788 71163.5995 80897.46727 64675.9378 68342.14357 75822.45785 68255.38752 71236.77823 49455.42316 91734.87694 73627.42351 74848.48343 68401.08515 75800.64217 91299.0517 89691.27236 85399.33624 58217.69443 67868.24131 69462.1604 78804.28273 82833.94955 73000.63568 61552.33249 83759.14808 72952.20577 65907.23157 87124.09899 62058.79096 62778.29298 47041.11289 55008.67625 55756.63106 53558.53441 87791.67081 67305.02423 65945.65881 96692.27651 147180.2133 74247.18416 81342.75221 PI(40:6) 2194860.57 2126594.928 2535468.233 2149387.367 1673147.119 1766894.877 1812671.197 1766416.41 1613442.808 1702953.301 1939546.611 1737106.671 1963903.732 1431445.334 1772460.58 1737223.122 1906708.898 2150722.627 2600025.69 1615406.695 1553556.314 2428944.325 1316910.152 1407761.579 1730753.944 2280067.225 1762056.967 1657940.531 1525826.919 1846713.878 1731039.289 1464478.675 1327870.949 1672146.171 1561664.179 1588689.628 2109761.841 2602420.009 1756631.067 2749800.402 1857321.467 2472858.69 2247804.611 2132428.728 1797220.355 1916844.113 1671787.531 3124731.521 2555768.776 2885520.834 2119689.734 1936289.557 2072575.298 1938401.278 2416562.932 1925320.039 1703306.263 1902567.735 2136871.806 2174543.678 1833308.293 2057995.39 2052855.382 1724667.535 2947170.244 3933390.207 2013374.787 2449449.952 PI(40:5) 3161996.338 3318882.219 3694129.324 3225575.272 2462327.465 2753467.557 2841855.83 2693413.252 2602701.109 2914725.073 3380782.238 2721597.925 3128253.835 2469129.613 3099376.695 2794967.575 2901476.37 3271512.191 3672657.237 2387925.834 2435040.653 3642555.978 2078227.792 2336205.295 2886295.249 3571096.007 2817516.216 2768822.344 2570133.391 2874994.399 2633740.407 2525996.637 2174606.434 2669419.093 2424232.546 2151924.814 3099184.252 3934183.796 2590657.735 3725694.185 2545974.505 3470646.371 3101008.851 2933383.12 2622714.481 2716001.454 2480120.581 4323459.438 3627704.891 3726231.546 3220952.233 2646409.411 3068087.757 2643913.937 2291287.659 2766036.174 2572894.482 2812401.433 2990014.778 3167887.753 2537560.513 3406815.325 3229835.041 3267410.403 4229440.351 5646835.854 2766426.226 3441066.042 PI(40:4) 3585190.623 3914869.301 4285872.583 3747295.979 2947287.366 3313606.451 3253622.376 3019882.136 3498225.534 3716591.8 4333778.829 3590162.08 4088605.321 3245280.606 3813785.711 3327751.274 3445126.107 3802556.525 4419072.798 3216301.957 2992439.435 4569865.319 2493739.373 2793098.31 3545596.808 4782840.165 3360879.91 3456558.892 3171031.902 3614807.733 3425041.824 3101376.682 2702220.859 3446346.706 3171706.45 2501516.476 3772537.688 4549481.393 2846908.039 4611272.501 3249399.727 4268816.529 3864809.072 3540560.461 3129214.647 3104248.163 3116591.433 5167174.822 4439672.842 4654147.132 3729179.036 3026355.051 3772828.343 3199330.244 4196455.716 3153978.035 2938535.161 3058146.065 3370732.823 3748612.569 3060134.189 4587391.93 4161518.397 3932372.578 5116859.289 6658009.471 3405884.821 4203485.055 PIP(16:0/20:2(11Z,14Z)) 55733.65498 66798.35253 64136.43453 81612.75999 59609.62574 85796.93061 90570.96895 95958.43396 66865.71116 73636.05242 64438.61792 63791.16024 42400.11185 46510.2418 52570.16383 48028.99277 65207.77346 57993.61077 60155.39707 73970.88848 53190.4351 84276.55904 66228.82186 90888.50884 67004.78025 82769.94828 90452.58286 86317.55966 87624.07423 74816.65185 81512.92807 80666.34905 80918.10345 70256.53206 90949.51229 68139.32399 70234.47439 48288.97782 59846.21915 54299.93222 49946.93101 54517.84837 39623.66347 69981.94217 70571.3762 66777.19042 93318.81251 86697.04648 99879.59785 106236.2159 88830.2084 52751.7372 42313.3451 42928.11259 54506.48324 78024.26116 92182.524 84646.23773 82665.37613 98153.06851 73908.61793 70039.35713 88336.37349 71961.30271 74947.92464 55473.92862 68656.82259 59847.7947 PIP(36:2) 432133.2238 481124.2377 558939.3151 408185.6247 400139.7283 378925.6901 350878.2427 502298.2429 702012.1479 508090.4882 467314.4204 539924.9122 451514.6183 387449.4329 594128.3931 380840.7955 370571.7803 525376.0972 470061.4734 651066.9121 582646.2918 549978.1948 530932.1196 498191.2955 641541.9416 414336.7448 625038.3458 823527.6419 664732.434 465994.182 610366.5447 696451.4622 500389.292 550255.308 444652.3425 375333.2969 534747.108 585657.1271 233390.6691 445951.8747 563097.3022 403674.3464 391330.726 457955.0375 718277.011 518858.5367 591576.6547 694571.4101 586780.783 696434.4358 753580.382 445593.4251 527363.0818 601947.4655 486539.0889 598616.7045 321067.0538 453254.9159 422630.8839 462906.3157 535705.9851 338989.2799 538408.131 527022.1706 576647.9784 686542.3903 536902.6785 459921.026 PIP(36:1) 292740.681 335586.221 360227.6232 321591.6202 346063.8025 267549.6918 73243.81871 429548.3827 382773.7388 318567.1282 292916.0823 341335.0982 257868.7395 257761.5704 386771.8892 284116.1675 221108.3538 334831.4307 298481.5071 494542.3612 350216.0823 391791.6069 372343.5601 321985.8494 376268.9123 299330.7511 391805.7849 534201.0886 488871.6869 348742.5778 467544.107 537287.5968 451461.5199 358537.069 343203.8455 292681.919 323702.2977 434250.0735 182395.0698 326444.4518 391460.8748 269529.0666 299979.9957 370624.3086 539658.6678 364569.7046 406207.6783 500368.3082 370188.9366 486794.5392 550856.39 306185.8859 416590.1177 442737.1859 375339.666 568111.7693 339250.6877 405470.4546 420781.7996 415587.9902 440398.8173 199532.2712 317168.4759 342688.9064 335729.3545 453474.5637 268342.926 269057.2688 PIP(16:0/22:4(10Z,13Z,16Z,19Z)) 224173.926 239086.0964 232162.3819 276243.266 230814.9078 177778.2269 168929.7319 220766.3792 254080.5937 217483.3001 218798.9702 286637.1378 201805.4681 202252.2239 239479.2782 201867.9173 186914.1279 259840.5518 186752.0251 279143.6648 296892.7099 238512.7664 273980.7313 228191.5932 309451.0039 184438.9039 335188.8785 328178.1017 301494.7833 214442.9789 341304.3709 352429.2464 254124.3615 245796.5485 218684.0107 152152.3093 185270.3959 270703.5062 75469.60562 182341.0101 251467.601 167580.4092 154010.0661 167149.0299 252377.6095 155663.3019 170188.1866 330492.3408 287977.7533 379722.3466 330039.4528 160555.4854 210224.0635 207508.1551 155131.3993 266853.7969 146283.7654 193550.731 194275.9889 242201.3712 266793.7248 112340.5866 234356.52 244718.7407 249516.3202 361220.7673 246413.143 186108.8805 4,8,12-Trimethyltridecanoyl-CoA 47041.09189 51911.9244 46467.21092 47278.41868 75421.81373 90891.58821 86400.28161 74367.45167 60780.95668 61185.56212 68996.20907 55427.00338 59112.62373 71382.60037 66808.39557 83301.61738 84999.87415 77534.22871 107939.043 96649.04303 107087.8021 115723.6409 92420.76359 86209.4325 80476.48926 96458.13247 92463.3368 90225.61672 90478.11601 65000.97511 71360.19398 67287.45252 65093.28714 51593.88053 62749.9788 42164.88166 47106.15465 42634.49412 46997.53013 51836.14329 57201.26965 52367.49108 51303.09076 41022.23717 54587.87563 58448.28787 48210.28908 88357.80646 85287.22779 86209.83104 80404.2331 54804.15929 54331.74969 58797.96785 51759.25891 33152.29598 35305.75664 38615.14083 54742.34119 70952.12785 65177.15724 74162.03162 81931.12667 95196.17057 30903.33856 29548.34676 36858.5887 29913.49658 Octadecanoyl-CoA 66021.63196 64022.25895 64135.80335 76090.14241 147356.348 108406.5419 93303.50948 114737.8919 85202.13248 116072.2008 124127.471 91726.19746 97979.46492 72643.15039 110821.228 77863.04194 131899.9139 96718.54823 159041.7815 71696.74394 103938.7209 87146.45486 91990.48519 130720.573 167192.7001 123372.8915 145642.8797 113501.7335 132602.3133 68772.84431 65607.9223 112294.2846 58267.33433 68587.24069 94787.90505 0 0 0 0 0 24336.58505 20574.64464 0 38922.12928 41861.98184 20184.92073 0 190146.2755 179462.801 215693.9466 215801.4898 44686.49702 41972.85774 70565.40808 33978.19236 65017.59108 61028.01022 61607.71606 71181.93229 100568.4356 67968.10637 52688.49304 96079.7181 87462.09107 46319.70314 28678.51271 33736.66491 37987.86316 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Mass RT confidence 3-Butynoate 84.02109854 13.46487244 6 4-Aminobutanal 87.0682581 10.49723255 6 Pyruvate 88.01594422 8.153702465 8 L-Alanine 89.04769835 14.70515877 10 N-dimethylethanolamine 89.08408032 16.79823785 7 Oxalate 89.99525792 17.27273927 10 (R)-Lactate 90.03161421 14.729107 6 (S)-Lactate 90.03162531 9.498490275 8 Glycerol 92.04731035 10.35640791 10 Furfural 96.02111456 15.52104398 5 Dihydrogenphosphate 96.96895914 14.88169084 5 Orthophosphate 97.97689741 15.66658776 8 2-oxobut-3-enanoate 100.0160969 7.162231017 5 Hydantoin 100.0272922 27.97965433 1 [FA (6:0)] hexanal 100.0888301 4.301035817 5 Betaine aldehyde 101.0840706 28.15747227 8 2-Oxobutanoate 102.0316928 14.63133814 8 Acetoacetate 102.0317072 13.31181971 6 Succinate semialdehyde 102.0317257 7.203487043 6 3-Methylbutanoic acid 102.0680744 7.162735942 5 N,N-Dimethylglycine 103.0632987 14.39266388 8 (S)-2-Aminobutanoate 103.0633291 9.97415568 5 [FA amino(4:0)] 2R-amino-butanoic acid 103.063336 11.43166254 5 L-3-Amino-isobutanoate 103.0633554 13.16764893 8 (R)-3-Amino-2-methylpropanoate 103.063358 12.21538305 7 N-methylalanine 103.0633583 13.75147196 5 Choline 103.0997263 19.65428243 10 (R)-3-Hydroxybutanoate 104.0473738 9.19529305 6 2-Hydroxybutanoic acid 104.0473949 9.695312288 6 4-Hydroxybutanoic acid 104.0474053 8.036973143 8 L-Serine 105.0426476 15.68468165 10 D-Glycerate 106.0266045 11.72377191 10 L-Glycericacid 106.0266087 16.5675688 5 Hypotaurine 109.0197933 14.92254437 8 methylmethanesulfonate 110.0037494 6.979349527 5 methylphosphate 111.9924617 14.26250167 5 Hydroxymethylphosphonate 111.9924781 10.87130538 5 Orotate(Fragment) 112.0272554 9.857734615 8 Uracil 112.027259 8.595429993 10 (S)-1-Pyrroline-5-carboxylate 113.0476527 14.65889153 6 Creatinine 113.0589573 9.75453348 10 cis-Acetylacrylate 114.0316842 14.68734058 2.5 [FA oxo(5:0)] 3-oxo-4-pentenoic acid 114.0316936 13.43715171 5 2-Hydroxy-2,4-pentadienoate 114.0316962 14.25013932 6 cis-2-hydroxypenta-2,4-dienoate 114.031709 11.07242876 7 5,6-Dihydrouracil 114.0429143 8.278605553 8 3-Cyano-L-alanine 114.0429328 27.94194757 6 L-Proline 115.0633494 12.77458565 10 Trimethylaminoacetone 115.0996656 28.28960948 5 2-Oxopentanoic acid 116.047362 5.407441518 5 3-Methyl-2-oxobutanoic acid 116.0473635 6.017468215 8 4-Hydroxyhexan-3-one 116.0837132 5.23077207 7 Betaine 117.0789824 11.31512912 10 L-Valine 117.079014 12.44505883 10 Succinate 118.0266074 14.83161759 10 5-Hydroxypentanoate 118.0630102 7.208096125 5 L-Threonine 119.0582336 14.37219786 8 3-nitro-2-butanol 119.058236 7.358605938 7 Cumene 120.0937699 4.257192 5 L-Cysteine 121.0196978 16.1735432 8 D-Cysteine 121.019766 13.52510339 8 Picolinamide 122.0480071 7.300315287 7 Erythritol 122.0579432 11.76672827 7 Phosphonoacetaldehyde 123.9923025 14.46176176 6 Taurine 125.0146871 14.73800793 8 2-Hydroxyethylphosphonate 126.007986 14.44172383 5 FA (8:1) octenal 126.1044724 4.268533798 7 2,3,4,5-Tetrahydropyridine-2-carboxylate 127.0633485 13.14323534 6 5,6-Dihydrothymine 128.0585671 14.72538177 6 L-1-Pyrroline-3-hydroxy-5-carboxylate 129.0426127 10.16690389 8 monomethyl proline 129.0789659 7.193364193 3 N4-Acetylaminobutanal 129.0789894 11.18790552 8 L-Pipecolate 129.0790046 12.40912333 8 4-Trimethylammoniobutanal 129.1153051 28.4124135 8 Octylamine 129.15176 7.333148155 7 Tetraethylammonium 129.1517651 13.87924244 7 [FA oxo(6:0)] 2-oxo-hexanoic acid 130.0630227 5.018701837 7 FA methyl(6:0) 130.0993988 4.892116188 7 N-Acetylputrescine 130.110646 18.6445385 6 L-Glutamate 5-semialdehyde 131.0582472 14.32272285 8 Creatine 131.069444 14.56701279 8 L-Isoleucine 131.0946406 11.27211557 8 L-Leucine 131.094642 10.93577362 10 2-Acetolactate 132.0422488 14.66022206 6 4-Hydroxy-2-oxopentanoate 132.0422708 7.195768328 6 (S)-2-Acetolactate 132.042291 14.24645602 6 L-Asparagine 132.0535057 15.17840183 10 Ethyl (R)-3-hydroxybutanoate 132.0786726 5.325979487 7 FA hydroxy(6:0) 132.0786832 6.481686247 7 L-Ornithine 132.0898664 21.92378242 10 (2R,4S)-2,4-Diaminopentanoate 132.0899142 15.82766606 5 L-Aspartate 133.0375321 14.77396637 10 3-nitro-2-pentanol 133.073845 7.198538105 5 1-deoxyxylonojirimycin 133.0739061 14.00478055 5 (S)-Malate 134.0215543 15.64619364 10 Deoxyribose 134.0579533 8.824332428 8 Methylcysteine 135.0354189 11.89224707 5 Adenine 135.0545053 9.64252633 10 [FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid 136.0372739 12.20395325 8 allopurinol 136.0384551 8.808720253 5 Hypoxanthine 136.0384911 10.18892986 10 Anthranilate 137.0476797 11.74334427 5.5 Urocanate 138.0428769 10.42803213 10 Acetyl phosphate 139.9874118 15.32875259 6 Ethanolamine phosphate 141.0191319 15.81214709 8 tropine 141.1152976 28.3770586 5 4-(Trimethylammonio)but-2-enoate 143.094625 10.79384291 7 2,3-Dimethylmaleate 144.0422564 13.52034364 6 FA oxo(7:0) 144.0786577 7.211650773 7 FA (8:0) octanoic acid 144.1150527 4.583521747 8 2-Oxoglutaramate 145.0375725 10.50003426 8 6-Amino-2-oxohexanoate 145.0739053 13.13613489 6 4-Acetamidobutanoate 145.0739105 9.108667915 10 4-Trimethylammoniobutanoate 145.1102829 13.35745627 8 2-Oxoglutarate 146.0216825 15.16443537 8 (S)-2-Aceto-2-hydroxybutanoate 146.05797 13.69764471 6 (R)-3-Hydroxy-3-methyl-2-oxopentanoate 146.0579818 8.592947357 8 L-Glutamine 146.0691 14.96491421 10 ethyl-(2R)-methyl-(3S)-hydroxybutanoate 146.0943445 5.00103457 7 L-Lysine 146.1054967 22.65415743 10 D-Lysine 146.105507 18.80540585 8 D-Glutamate 147.0531615 11.01020831 6 L-Glutamate 147.053186 14.49685235 10 Fagomine 147.0895185 13.57024985 7 N-hydroxyisoleucine 147.0895356 12.22767281 5 [FA oxo,methyl(4:0)] 2-oxo-4-methylthio-butanoic acid 148.0194623 5.312596795 8 D-Xylonolactone 148.0372152 14.85041836 6 L-Methionine 149.0510741 11.52198971 10 D-Methionine 149.0511169 16.34063257 6 4-amino-4-deoxy-L-arabinose 149.0688302 15.56808491 5 2-hydroxy-4-methylthiobutanoate 150.0351007 7.193270987 7 D-Ribose 150.0528814 14.30496743 6 D-Xylose 150.0528889 16.54852975 6 Phenylpropanoate 150.0680725 5.150492435 8 2-Hydroxyadenine 151.0491092 16.42432518 5 Guanine 151.0494431 12.29176535 8 Xanthine 152.0333009 11.3111204 10 D-Arabitol 152.0684791 12.93861767 6 (Z)-2-Methyl-5-isopropylhexa-2,5-dienal 152.1199677 4.274865325 6 Hydroxyacetone phosphate 154.0030787 14.44020201 5 Propanoyl phosphate 154.0031341 11.29597653 8 Imidazol-5-yl-pyruvate 154.0378068 10.18058449 8 N-Methylethanolamine phosphate 155.0346655 14.80053217 6 L-Histidine 155.0695129 14.61986114 6 3-(Pyrazol-1-yl)-L-alanine 155.0695521 15.93429354 7 2-(Methylthio)ethanesulfonate 155.9911917 8.621525285 8 Orotate 156.0171602 9.953955682 6 4-Imidazolone-5-propanoate 156.0535323 10.9894313 6 Homostachydrine 157.1102757 10.02134519 7 (S)-Dihydroorotate 158.0327628 10.96291805 10 Allantoin 158.0440354 13.60856679 8 FA oxo(8:0) oxo-octanoic acid 158.0942594 5.296934433 5 FA methyl(8:0) 158.1306915 4.366641525 7 Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one 160.0735372 5.32569199 5 [FA (7:0/2:0)] Heptanedioic acid 160.0735448 7.09891479 6 Ethyl (R)-3-hydroxyhexanoate 160.1099434 7.177508017 7 FA hydroxy(8:0) hydroxy-octanoic acid 160.109946 5.08749412 5 N6-Methyl-L-lysine 160.1210079 22.08338095 7 L-2-Aminoadipate 161.0687635 14.70017007 8 O-Acetyl-L-homoserine 161.0688049 9.408312357 6 4-Methyl-L-glutamate 161.0688161 11.05788528 7 L-Carnitine 161.1052034 13.2898916 10 Deoxymannojirimycin 163.0845113 15.77561699 7 trans-2-Hydroxycinnamate 164.0473499 6.081197428 8 Phenylpyruvate 164.0473765 5.001203555 6 [FA trihydroxy(6:0)] 3,4,5-trihydroxy-hexanoic acid 164.0685966 8.365660583 5 3-Methylguanine 165.0650735 12.63204658 5 L-Phenylalanine 165.0790433 10.1774983 8 Phthalate 166.026669 12.89731217 5.5 Terephthalate 166.0266715 14.62112747 4.5 4-Hydroxyphenylglyoxylate 166.0267299 13.8794187 4.5 L-Lyxonate 166.0476469 12.49710017 6 D-Xylonate 166.0476871 13.35085592 8 Phenyllactate 166.0629979 6.556850155 8 3-(2-Hydroxyphenyl)propanoate 166.0630191 5.31791186 8 3-deoxy-D-galactose 166.0840839 11.28996396 7 Phosphoenolpyruvate 167.982448 17.12983002 8 Butanoylphosphate 168.0185966 14.44358828 6 Urate 168.0283618 12.40498758 10 Phosphodimethylethanolamine 169.0504356 13.97466256 8 Nalpha-Methylhistidine 169.0850343 12.42004728 7 N(pi)-Methyl-L-histidine 169.0850707 12.86409471 6 Glycerone phosphate 169.998103 15.08260074 10 (E)-3,7-Dimethylocta-1,6-diene-3,8-diol 170.1306797 4.291607103 5 sn-Glycerol 3-phosphate 172.013667 14.73288156 10 Hydantoin-5-propionate 172.048407 8.862704685 8 2-Octenedioicacid 172.0735211 7.20682762 7 9-Oxononanoic acid 172.1099935 5.045825605 6 N-Acetyl-L-glutamate 5-semialdehyde 173.0688912 7.231006637 8 5-Guanidino-2-oxopentanoate 173.0801473 14.12180816 6 N-Acetylornithine 174.100488 13.48882806 8 L-Arginine 174.1116771 23.58089662 10 Ne,Ne dimethyllysine 174.1368508 21.05904753 7 L-Citrulline 175.0957685 15.82134968 8 D-Glucuronolactone 176.0321023 14.83608034 6 Allantoate 176.0547814 14.72846365 6 3-Propylmalate 176.0684886 9.204317235 8 4-Hydroxy-4-methylglutamate 177.0637519 12.98882407 7 D-Glucono-1,5-lactone 178.0478667 13.78268278 6 beta-D-Digitalopyranose 178.0840725 8.749063888 7 N-Acetylanthranilate 179.0582908 7.189082492 7 3-(4-Hydroxyphenyl)pyruvate 180.0422999 7.714891672 8 D-Fructose 180.0633817 14.62145555 6 D-Glucose 180.0634091 14.27234936 8 myo-Inositol 180.0634792 16.93025292 10 DL-Methionine sulfone 181.041006 11.74759332 7 L-Tyrosine 181.0740025 12.93771976 10 3-(4-Hydroxyphenyl)lactate 182.0579583 8.810469222 10 methylphoracetophenone 182.0579958 27.8793641 5 Mannitol 182.0791111 13.86869415 10 Choline phosphate 183.0660751 14.85907135 10 3-Phospho-D-glycerate 185.9929767 16.54909012 8 7,8-diketopelargonate 186.0891588 5.29848135 7 FA hydroxy(4:0) N-(3S-hydroxy-butanoyl)-homoserine lactone 187.0844912 6.572409128 5 6-Acetamido-2-oxohexanoate 187.0845294 7.208953653 8 N2-Acetyl-L-aminoadipate semialdehyde 187.0845419 6.16802073 8 N-Acetylglutamine 188.0797307 10.54131709 7 N6-Acetyl-L-lysine 188.1160978 12.87779538 8 Homoarginine 188.1273569 23.83289625 7 FA hydroxy(10:0) 188.1412242 4.752257272 7 N6,N6,N6-Trimethyl-L-lysine 188.1525663 21.4026717 8 N-Acetyl-L-glutamate 189.0638974 13.8309039 8 L-2-Amino-6-oxoheptanedioate 189.0639023 9.567380633 7 L-Homocitrulline 189.1114281 15.11238213 5 3-Dehydroquinate 190.0478089 10.68933567 8 N-Carbamyl-L-glutamate 190.0590152 16.24158351 6 N5-acetyl-N5-hydroxy-L-ornithine 190.0953827 11.47041073 7 meso-2,6-Diaminoheptanedioate 190.0954217 13.68786725 8 3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene 190.1721477 4.25613148 5 a Cysteine adduct 191.0252699 14.66404746 7 N-Acetylmethionine 191.061667 7.188532475 7 Citrate 192.0270977 17.6158951 10 D-Gluconic acid 196.0582857 13.77879981 10 CysteineMercaptoethanol disulfide 197.0181744 11.4551823 7 N-Acetyl-L-histidine 197.0801809 8.910976083 7 D-Erythrose 4-phosphate 200.0087297 12.63543874 6 3,6,8-Trimethylallantoin 200.09081 13.16348506 5 Dodecanoic acid 200.1776645 4.140482713 8 S-Sulfo-L-cysteine 200.9766367 16.3321177 8 Ovothiol A 201.0573585 15.3486187 7 Bergaptol 202.0266368 15.04618586 5 Arg-OEt 202.1431498 21.11881798 5 Indolepyruvate 203.0582895 7.192810532 8 2-acetamidoglucal 203.0795772 11.82160844 7 N2-Acetyl-L-aminoadipate 203.0797667 14.75199271 6 O-Acetylcarnitine 203.1158704 11.08342642 8 L-Tryptophan 204.0899861 11.57907333 10 N5-(L-1-Carboxyethyl)-L-ornithine 204.1110087 14.18050376 5 N6-Acetyl-N6-hydroxy-L-lysine 204.1111584 16.50022023 8 Indolelactate 205.0738431 7.68583591 6 alpha-Irone 206.1670442 4.244010187 7 Cys-Ser 208.051806 16.41421102 5 FA (14:2) tetradecadienal 208.1826724 4.269017627 5 2,6-Dihydroxypseudooxynicotine 210.1004584 7.202669657 6 FA (13:2) tridecadienoic acid 210.1620669 4.106557753 5 phosphinomethylisomalate 212.0085804 13.61042585 5 phosphinomethylmalate 212.0086377 12.42355815 5 3-Oxododecanoic acid 214.1569554 4.252712495 5 FA methyl(12:0) dodecanoic acid 214.1931783 4.09638811 5 sn-glycero-3-Phosphoethanolamine 215.055875 15.55442005 6 N-Nonanoylglycine 215.1519657 5.287848915 5 2-C-Methyl-D-erythritol 4-phosphate 216.0400984 13.80118146 8 N-Acetyl-L-citrulline 217.1059691 12.29866634 5 O-Propanoylcarnitine 217.1314678 9.87757932 7 cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene 218.0403137 13.77540339 7 5-Hydroxyindolepyruvate 219.0529503 9.960831818 8 Pantothenate 219.1107469 8.706888628 10 Met-Ala 220.0882966 10.4629462 5 2-trans,6-trans-Farnesal 220.1826149 4.310548615 7 N-Acetyl-D-glucosamine 221.0900581 11.80674154 8 CAPS 221.1085819 9.209053727 7 L-Cystathionine 222.0674895 16.94842513 10 7E,9E,11-Dodecatrienyl acetate 222.1618952 4.14106141 5 N-acetyl -D- glucosaminitol 223.1055857 13.28287889 7 Carnosine 226.1067257 15.61187259 8 Deoxycytidine 227.0906658 10.96176956 8 Tetradecanoic acid 228.2089092 4.049459265 8 N-Decanoylglycine 229.1676005 5.128075102 5 [SP (14:0)] 1-deoxy-tetradecasphinganine 229.2405182 5.017705563 7 D-Ribose 5-phosphate 230.0191193 15.31566108 10 O-Butanoylcarnitine 231.147168 8.9142179 5 (3R)-hydroxy-N-acetyl-(L)-arginine 232.1172049 13.17238761 7 Bakkenolide A 234.1619038 4.245321762 5 HEPES 238.0985415 10.45157608 8 Dihydrobiopterin 239.1021794 10.45312052 6 L-Cystine 240.0239487 16.08995238 10 Slaframine 240.1472421 10.10874509 7 [FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid 240.2087612 4.030973473 7 Hexadecanal 240.245319 4.180079423 6 D-myo-Inositol 1,2-cyclic phosphate 242.0189365 16.69859437 7 Thymidine 242.090211 7.339512317 8 FA methyl(14:0) 242.2246139 4.012710807 5 Cytidine 243.0855417 11.88616315 8 N-Undecanoylglycine 243.1833131 4.909486097 7 L-Fuculose 1-phosphate 244.0345532 13.39356073 8 Pseudouridine 244.0695218 11.94421363 8 Glycerophosphoglycerol 246.0503988 12.56691855 7 5-6-Dihydrouridine 246.0851971 10.05598554 5 N2-(D-1-Carboxyethyl)-L-arginine 246.1328936 16.95030782 6 N-Succinyl-L-glutamate 247.0691758 16.08945847 8 Norepinephrinesulfate 249.030834 18.419602 7 gamma-L-Glutamyl-L-cysteine 250.0622493 13.91850479 6 FA (16:2) 252.2088222 4.25201715 5 aeruginosin A 253.0851635 23.56545748 5 L-Arginine phosphate 254.0780193 17.39498615 8 3-beta-D-Galactosyl-sn-glycerol 254.1001036 13.40558816 6 FA(16:1) 254.2245984 3.994127317 6 Hexadecanoic acid 256.2401206 3.977374228 6 sn-glycero-3-Phosphocholine 257.1027126 14.44333167 6 2-Hexenoylcarnitine 257.1627327 5.288803843 5 D-Glucono-1,5-lactone 6-phosphate 258.0140925 17.2649796 8 (1-Ribosylimidazole)-4-acetate 258.0848972 9.851345663 8 FA methyl(15:0) tridecanedioic acid 258.183034 4.204460507 7 alpha-D-Glucosamine 1-phosphate 259.0456412 15.15232894 8 Ile-Lys 259.189722 13.54905205 7 D-Fructose 6-phosphate 260.0295944 16.00481997 8 D-Glucose 6-phosphate 260.0296022 16.53194766 10 Bathocuproine disulfonic acid 260.0378871 5.294208672 8 Ala-Asp-Gly 261.0962271 14.44397538 5 Epinephrinesulfate 263.0461914 13.03366023 5 Thiamin 264.1045262 20.04435203 8 p-aminobenzoyl glutamate 266.0901595 13.97611363 5 sodium dodecyl sulfate 266.1549527 3.815706785 7 Tributyl phosphate 266.1645533 4.164635987 7 [FA (17:1)] 7-heptadecynoic acid 266.2243974 3.986463118 5 Oxycarboxin 267.0562292 11.71800498 7 Adenosine 267.0967795 9.163426365 10 FA methyl(16:1) 268.240162 3.969806017 5 Octadecanal 268.2764663 4.118789958 5 FA oxo(16:0) 270.2192828 4.076845065 5 FA (17:0) 270.2557496 3.952092123 5 Tridecanoylglycine 271.2146421 4.497847765 7 Val-Arg 273.1802452 13.56728696 7 Epsilon-(gamma-Glutamyl)-lysine 275.1484628 15.23332545 5 6-Phospho-D-gluconate 276.0246396 17.25995788 10 Glu-Glu 276.0959399 16.47585306 5 2-chlorohexadecanol 276.2222483 7.184738183 5 [FA (18:3)] 6Z,9Z,12Z-octadecatrienoic acid 278.224539 3.966879157 8 Linoleate 280.2401921 3.950973907 10 4-Hydroxyphenylacetylglutamic acid 281.0900467 14.32240773 6 [FA (18:1)] 9Z-octadecenamide 281.271883 4.240061612 7 [FA (18:1)] 9Z-octadecenoic acid 282.2560068 3.939427315 8 Guanosine 283.0917457 12.59240388 8 Octadecanoic acid 284.2714085 3.922533792 10 [SP] 1-deoxy-sphinganine 285.3031955 9.211378397 5 Sedoheptulose 7-phosphate 290.0400459 14.81800532 6 D-Sedoheptulose 7-phosphate 290.0401893 15.97283507 6 Phytuberin 294.1831982 4.109578398 7 2-Methylaminoadenosine 296.1232232 20.15502258 5 5'-methylthioformycin 297.0895361 7.214831138 7 FA oxo(18:0) 298.250996 3.995731952 5 FA methyl(18:0) 298.2870683 3.903492122 5 [PC acety] 1-acetyl-sn-glycero-3-phosphocholine 299.1134028 11.07906295 7 FA hydroxy(18:0) 300.2663865 4.038597528 5 (Ac)2-L-Lys-D-Ala 301.1638984 9.349374327 7 Sphinganine 301.29826 7.215593832 6 PIPES 302.0606717 13.99681222 7 [PR] Abietic acid 302.2246322 4.030909013 8 Icosatrienoic acid 306.2564293 3.90980952 6 dCMP 307.0569086 14.68447423 10 Glutathione 307.0838634 14.04839367 8 dUMP 308.0407081 13.569159 8 Icosadienoic acid 308.2714517 3.90424067 6 N-Acetylneuraminate 309.1060566 13.19208381 10 [FA (20:1)] 11Z-eicosenoic acid 310.2871067 3.89697114 6 FA (20:0) 312.3029773 3.884312653 6 Margaroyl-EA 313.297815 3.845983322 7 FA hydroxy(18:1)] 314.2455468 4.208336287 5 FA (22:0) 314.3184108 4.194018303 7 1-O-Hexadecyl-sn-glycerol 316.2978604 4.219369222 5 N-Glycolyl-D-mannosamine 6-phosphate 317.0512845 16.69994167 5 Ile-Ser-Val 317.1948236 7.16324997 7 3-Deoxy-D-manno-octulosonate 8-phosphate 318.0353091 15.14255612 6 octulose 8-phosphate 320.0509309 16.43329921 7 dTMP 322.056546 12.81040442 10 CMP 323.051909 15.6075369 8 Cytidine 2'-phosphate 323.0519806 16.131333 5 UMP 324.0358107 14.88611246 8 di-n-Undecylamine 325.370583 7.215727837 7 Ajmaline 326.1990003 10.51302142 7 Docosahexaenoicacid 328.2402983 3.887888263 5 3',5'-Cyclic AMP 329.0524025 9.466774797 10 [FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid 330.2560784 3.89147976 6 dAMP 331.0679905 12.7107253 10 [FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid 332.2717549 3.881952708 6 sn-glycero-3-Phospho-1-inositol 334.0664234 15.85093269 7 FA dimethyl(20:3) 334.2868898 3.881740148 5 Glu-Ser-Thr 335.132378 14.55824464 5 N4-(Acetyl-beta-D-glucosaminyl)asparagine 335.1328893 15.8450366 5 [FA (22:1)] 13Z-docosenoic acid 338.3182996 3.862416823 8 D-Fructose 1,6-bisphosphate 339.9961917 17.646267 10 Docosanoic acid 340.3341424 3.847463263 6 1-O-Octadec-9-enyl glycerol 342.3133449 4.153752723 7 1-O-Octadecyl-sn-glycerol 344.3291305 4.162837595 5 AMP 347.0629562 13.57907515 10 dGMP 347.0629658 14.78436839 8 2-(alpha-D-Mannosyl)-3-phosphoglycerate 348.0457228 14.84746817 6 IMP 348.0472275 15.19557926 10 nonulose 9-phosphate 350.0614413 16.54093536 7 N-(11Z,14Z-eicosadienoyl)-ethanolamine 351.3139303 4.15914818 5 (S)-N-Methylcanadine 353.1621992 12.7571494 7 N-(11Z-eicosaenoyl)-ethanolamine 353.3293076 4.202594197 5 Phenolsulfonphthalein 354.0560914 5.346489412 8 deacetylcolchicine 357.157051 15.02392975 5 Trypanothione disulfide 360.6443911 20.15587187 8 GMP 363.0579814 16.4166256 8 Xanthosine 5'-phosphate 364.0419566 17.56954787 8 [FA (24:0)] 15Z-tetracosenoic acid 366.3495754 3.828222723 8 [ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 368.3442657 3.858479073 7 Tetracosanoic acid 368.3655159 3.815049383 6 Corydaline 369.1932978 10.78339444 7 D-Sedoheptulose 1,7-bisphosphate 370.0065737 17.8802466 6 Kievitone hydrate 374.1369344 10.21996813 5 Met-Met-Pro 377.1446444 14.31243962 5 S-Adenosyl-L-homocysteine 384.1216032 13.59650326 8 dCDP 387.0232196 15.76532931 8 [ST hydrox] 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic Acid 392.2921887 7.102066667 5 Lys-Ser-Tyr 396.200941 15.70646011 7 S-Adenosyl-L-methionine 398.1372971 16.33833897 8 dTDP 402.0230494 14.2476403 8 CDP 403.0181974 16.62617264 8 6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate 403.0881809 17.39428908 6 UDP 404.0020646 16.07950266 10 Glu-Glu-Glu 405.1383903 17.63391322 7 [PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphate 410.2427282 4.788059178 7 dADP 411.0344284 14.00896516 8 Thiamin diphosphate 424.0373254 14.53986765 8 Asp-Cys-Cys-Ser 426.0879425 16.78032653 7 ADP 427.0291279 14.81284257 8 dGDP 427.0292478 15.86614154 8 N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amine 427.2932742 7.416261773 7 Ala-Leu-Lys-Val 429.2952999 10.93507822 7 dCDP-ethanolamine 430.0653699 15.13369409 5 Ala-Leu-Met-Val 432.241057 9.303110968 5 PA(18:2(9Z,12Z)/0:0) 434.242481 4.888850688 5 [PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine 437.2907275 4.89029118 5 Folate 441.1395189 16.28920986 10 GDP 443.0245569 17.46324378 10 Ala-Leu-Asn-Gln 444.2335164 16.65526114 5 CDP-ethanolamine 446.0602512 16.14209046 8 Cephamycin C 446.1101052 10.84682285 5 Chenodeoxyglycocholate 449.3140496 5.005160703 5 LysoPE(16:1) 451.2706528 5.015053962 5 LysoPE(16:0) 453.2863683 4.966597093 5 Cys-Lys-Cys-Cys 455.132427 14.44097806 5 FMN 456.1046457 11.48664032 6 PIP(34:2) 457.245722 7.173125062 5 PIP(34:1) 458.2530958 4.539686398 5 Phe-Val-Pro-Pro 458.2531252 7.175818202 5 N6-(1,2-Dicarboxyethyl)-AMP 463.0742738 17.82908165 8 LysoPE(18:1) 465.3220208 4.699368003 5 Cholesterolsulfate 466.3115805 3.72296921 5 dCTP 466.9892442 16.83470447 6 [LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine 467.3017367 5.087925683 7 [PE(O-18:2)] 1-octadecyl-sn-glycero-3-phosphoethanolamine 467.3372602 4.894918023 5 2-(alpha-Hydroxyethyl)thiamine diphosphate 468.0634596 13.80860521 6 10-Formyldihydrofolate 471.150324 14.258834 7 CMP-N-trimethyl-2-aminoethylphosphonate 472.1128207 14.25041664 7 Ile-Phe-Pro-Pro 472.2685414 7.16981206 5 10-Formyltetrahydrofolate 473.1658566 13.98065613 8 LysoPE(18:2) 477.2859941 4.877779138 5 LysoPC(O-16:1) 479.3377326 4.833549645 5 LysoPE(18:0) 481.3170695 4.959277038 5 [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine 481.3530473 4.992258858 5 dTTP 481.9888709 15.49364781 8 CTP 482.9844607 17.68419908 10 PIP(38:4) 483.2611546 4.4307354 7 UTP 483.9681664 17.19171148 10 Glucosylgalactosylhydroxylysine 486.2058998 7.184007297 5 CDP-choline 488.107642 15.19990834 8 dATP 491.0002232 15.15875411 8 Arg-Thr-Thr-Asp 491.2340802 16.86740107 7 1-18:2-lysophosphatidylethanolamine 491.3018501 5.01025857 5 LysoPC(16:1(9Z)) 493.3175631 4.974548475 7 PE(P-20:0) 493.3534947 4.586082137 5 LysoPC(16:0) 495.3327843 4.947444233 7 Ala-Leu-Phe-Phe 496.2684259 7.164300672 5 Asp-Met-Phe-Ser 498.178666 10.22387332 7 Ala-Met-Asp-Tyr 498.1787087 10.70088401 7 Ala-Phe-Val-Tyr 498.2474715 7.181059022 5 Cys-Met-Phe-Thr 500.1762412 10.29191736 5 Cys-Leu-Cys-Tyr 500.1772975 10.62636381 5 Palmitoyl-CoA 502.6717538 5.331801042 6 LysoPE(20:2) 505.3175342 4.939988178 5 ATP 506.9951768 15.93865901 8 LysoPE(20:1) 507.3330987 4.898913792 5 Gln-Met-Met-Thr 509.1977269 14.92365209 5 LysoPE(20:0) 509.3480667 4.881393043 5 LysoPC(O-18:2) 509.3846839 4.852076368 5 Ala-Leu-Phe-Tyr 512.2637169 7.182280587 5 [PC(18:2)] 1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine 519.3326483 6.861506115 7 PC(18:2) 519.3327116 4.871053492 7 LysoPC(18:1) 521.3476958 4.83132126 5 GTP 522.9911324 18.55299997 10 LysoPC(18:0) 523.3640365 4.777662945 7 Cer(d33:1) 523.4968026 3.908043717 5 Glu-Glu-Glu-Glu 534.1819555 14.9654913 5 1-4-beta-D-Glucan 536.1594499 3.872157872 5 Arg-Lys-Pro-His 536.3176677 28.63254783 7 LysoPE(22:0) 537.3792572 4.725004717 5 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 537.512557 3.904293527 7 LysoPC(20:3) 545.3478469 4.747932117 5 LysoPC(20:2) 547.3634728 4.701631238 5 Gln-Leu-Lys-Tyr 550.3112802 15.68160581 5 Cer(d35:1) 551.5285102 3.895145753 5 Asp-Lys-Lys-Tyr 552.2913495 28.6685309 5 [SP hydroxy(16:0)] N-(hexadecanoyl)-4S-hydroxysphinganine 555.5226088 3.91928571 5 UDP-glucose 566.0548693 15.97849753 10 [PC(22:6)] 567.3324728 4.68511598 7 LysoPC(22:5) 569.3478387 4.655196748 5 LysoPC(22:4(7Z,10Z,13Z,16Z)) 571.3635266 4.629663433 5 Asn-Gln-Tyr-Tyr 586.2378657 14.9598505 5 1-(14-methyl-pentadecanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 588.5483764 3.721935028 5 dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mannose 589.1437114 15.90379255 5 [PI(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol) 598.3111091 4.38166925 5 1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 602.5266986 3.775745402 5 GDP-mannose 605.0767344 17.79351005 10 UDP-N-acetyl-D-glucosamine 607.0809487 14.77583201 8 Glutathione disulfide 612.1510483 17.12550182 8 CHAPS 614.3960222 9.167917125 5 Arg-Phe-Phe-Arg 624.3499816 14.72636748 5 Sphingomyelin(d18:1/12:0) 646.5047368 4.463795715 5 PI(22:4(7Z,10Z,13Z,16Z)/0:0) 648.3278593 4.27315877 7 N-(eicosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine 660.5205207 5.060444595 5 N-(octadecanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine 660.5205446 4.449538417 5 NAD+ 663.1092075 14.06166361 8 NADH 665.1249778 13.15339169 8 PA(34:2) 672.4723836 3.79048369 5 PA(34:1) 674.4879563 3.789319915 5 SM(d32:1) 674.5360996 4.471470408 5 1-(O-alpha-D-glucopyranosyl)-(3R,29S,31R)-dotriacontanetriol 676.5479222 4.474853215 5 SM(d33:1) 688.5517627 4.45622815 5 PE(32:1) 689.4994048 3.781715645 5 PA(36:4) 696.4742935 3.777185033 5 PA(36:3) 698.488705 3.786987077 5 PE(P-34:2) 699.5200084 4.016684468 5 PA(36:2) 700.504874 3.768708685 5 PE(P-34:1) 701.536107 4.020617 5 SM(d34:1) 702.567503 4.43674313 7 Lacto-N-tetraose 707.248112 16.58709593 5 Trp-Trp-Tyr-Tyr 716.2949387 10.46182436 5 SM(d35:1) 716.5834783 4.419631808 5 PA(38:6) 720.4731525 3.756709878 5 PA(38:5) 722.4882981 3.757883677 5 PA(38:4) 724.504844 3.757198128 5 PE(P-36:3) 725.5370639 3.989790142 5 PE(P-36:2) 727.5518747 3.975383343 5 PE(O-36:3) 727.5519581 5.182238385 5 PE(P-36:1) 729.5661613 3.958671373 5 PE(O-36:2) 729.568356 4.661339952 5 PE(P-36:0) 731.582939 6.013815323 5 PE(36:5) 737.4996331 3.748153063 5 PE(36:4) 739.5143011 3.99786445 5 PE(36:3) 741.5306306 3.743784173 5 NADP+ 743.0763765 16.46282311 6 PE(36:2) 743.5454199 3.995149653 5 N-(2-hydroxy-docosanoyl)-1-beta-glucosyl-tetradecasphing-4-enine 743.5906602 4.12249982 5 NADPH 745.0918208 16.72651868 6 PE(P-38:3) 753.5685002 3.963565472 5 PE(P-38:2) 755.5834483 4.67076731 5 PE(37:2) 757.5606495 4.679215863 7 PC(34:2) 757.5609918 4.128254933 7 PG(O-36:3) 758.5455536 3.686859857 5 PS(34:2) 759.5053181 3.81108095 5 PG(O-36:2) 760.5633222 3.688022953 5 PE(38:6) 763.5152205 3.960770412 5 PE(38:5) 765.5304348 3.945310198 5 CoA 767.1155017 13.3742646 8 PE(38:4) 767.5457515 3.939886405 5 PC(O-36:3) 769.5996185 5.177104768 7 PC(P-36:2) 769.5998771 4.079540802 5 PS(O-36:3) 771.5417654 3.780222997 5 PS(O-36:2) 773.5573936 3.793997192 7 PS(36:4) 783.5053692 3.800358847 5 PE(39:2) 785.5920122 6.910255785 7 PC(36:2) 785.5927877 4.100003532 5 SM(d40:1) 786.660704 4.610052037 5 PE(40:6) 791.5475235 3.92722211 5 PS(36:0) 791.5677073 3.685210707 7 1-18:2-2-18:2-monogalactosyldiacylglycerol 794.5538468 4.136639783 5 PE(40:4) 795.5780611 4.062240655 5 PC(P-38:3) 795.6157633 4.052851535 5 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphothreonine 803.5690574 4.807106318 7 PC(38:6) 805.5627622 4.066895365 5 PE(41:6) 805.5628736 4.429602182 7 PS(38:6) 807.5051586 3.791136908 5 PC(38:5) 807.5771739 4.066498605 5 PE(41:5) 807.5773449 4.510391578 7 Acetyl-CoA 809.1266849 12.17352055 6 PC(38:4) 809.5931296 4.053873917 5 PS(38:4) 811.5360917 3.746869378 5 SM(d18:1/24:1(15Z)) 812.6783572 4.514491312 7 SM(d18:0/24:1(15Z)) 814.6920295 4.607387262 5 PE(42:7) 817.5628505 4.061007143 5 PS(38:1) 817.5820793 3.690283668 5 PE(42:6) 819.5775127 4.041278235 5 PG(40:7) 820.5251514 3.67576785 5 PE(42:5) 821.5927054 4.033429422 5 PE(42:4) 823.6083152 4.040556973 5 PG(40:5) 824.5570425 3.664512412 5 PG(40:4) 826.5725688 3.662189113 5 PC(40:9) 827.5475157 4.048825852 5 PC(40:8) 829.5633229 4.03997165 5 [PC(18:2/22:6)] 1-(9Z,12Z-octadecadienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 829.563398 4.454470238 7 PC(40:7) 831.5778588 4.029721188 5 [PC(18:1/22:6)] 1-(11Z-octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 831.5781011 4.524451187 7 PC(40:6) 833.5937053 4.030230562 5 PI(34:2) 834.5262738 3.816613262 5 PS(40:6) 835.5361979 3.751169383 5 PC(40:5) 835.6076219 4.024806297 7 PI(34:1) 836.5404387 3.81100052 5 PS(40:5) 837.550839 3.748323463 5 N-(eicosanoyl)-sphinganine-1-phospho-(1'-myo-inositol) 837.6089383 27.16315967 5 PC(40:4) 837.6233786 4.019809772 5 PE(43:4) 837.6235902 4.622872453 5 PS(40:4) 839.5671464 3.707129253 5 PS(40:3) 841.582868 3.68212177 5 PS(40:2) 843.5988854 3.669365128 5 PC(42:10) 853.5632831 4.000381988 5 PC(42:8) 857.5929737 3.998988447 5 PI(36:3) 860.5419712 3.804570247 5 PI(36:2) 862.5585853 3.803576175 5 PI(36:1) 864.5723961 3.802010885 5 PI(38:6) 882.5263088 3.797402385 5 PC(44:9) 883.6086751 3.966315995 5 PC(44:8) 885.6235525 3.980647637 5 PI(38:4) 886.5579583 3.784460203 5 PI(40:8) 906.527306 3.787032648 5 PI(40:6) 910.5576262 3.773558508 5 PI(40:5) 912.5721263 3.776606632 5 PI(40:4) 914.5877295 3.771088272 5 PIP(16:0/20:2(11Z,14Z)) 942.5220672 4.68032825 5 PIP(36:2) 942.5241949 7.173498468 5 PIP(36:1) 944.5382454 7.188322272 5 PIP(16:0/22:4(10Z,13Z,16Z,19Z)) 966.5232 7.178631247 5 4,8,12-Trimethyltridecanoyl-CoA 1005.345491 7.551417713 7 Octadecanoyl-CoA 1033.374237 5.328745418 6 METABOLITES_END #END