#METABOLOMICS WORKBENCH ryanfunk_20211020_135452 DATATRACK_ID:2895 STUDY_ID:ST001949 ANALYSIS_ID:AN003173 VERSION 1 CREATED_ON 02-08-2024 #PROJECT PR:PROJECT_TITLE Plasma Metabolome Normalization in Rheumatoid Arthritis following initiation of PR:PROJECT_TITLE Methotrexate and the Identification of Metabolic Biomarkers of Efficacy PR:PROJECT_TYPE Clinical PR:PROJECT_SUMMARY Methotrexate (MTX) efficacy in the treatment of rheumatoid arthritis (RA) is PR:PROJECT_SUMMARY variable and unpredictable, resulting in a need to identify biomarkers to guide PR:PROJECT_SUMMARY drug therapy. This study evaluates changes in the plasma metabolome associated PR:PROJECT_SUMMARY with response to MTX in RA with the goal of understanding the metabolic basis PR:PROJECT_SUMMARY for MTX efficacy towards the identification of potential metabolic biomarkers of PR:PROJECT_SUMMARY MTX response. PR:INSTITUTE University of Kansas PR:DEPARTMENT Pharmacy Practice PR:LABORATORY Funk PR:LAST_NAME Medcalf PR:FIRST_NAME Matthew PR:ADDRESS 2106 Olathe Boulevard PR:EMAIL mmedcalf@ku.edu PR:PHONE 13147880236 PR:FUNDING_SOURCE KL2TR002367 PR:DOI http://dx.doi.org/10.21228/M8Z10X #STUDY ST:STUDY_TITLE Plasma Metabolome Normalization in Rheumatoid Arthritis following initiation of ST:STUDY_TITLE Methotrexate and the Identification of Metabolic Biomarkers of Efficacy ST:STUDY_TYPE Clinical ST:STUDY_SUMMARY Methotrexate (MTX) efficacy in the treatment of rheumatoid arthritis (RA) is ST:STUDY_SUMMARY variable and unpredictable, resulting in a need to identify biomarkers to guide ST:STUDY_SUMMARY drug therapy. This study evaluates changes in the plasma metabolome associated ST:STUDY_SUMMARY with response to MTX in RA with the goal of understanding the metabolic basis ST:STUDY_SUMMARY for MTX efficacy towards the identification of potential metabolic biomarkers of ST:STUDY_SUMMARY MTX response. ST:INSTITUTE University of Kansas ST:DEPARTMENT Pharmacy Practice ST:LABORATORY Funk ST:LAST_NAME Medcalf ST:FIRST_NAME Matthew ST:ADDRESS 2106 Olathe Boulevard ST:EMAIL mmedcalf@ku.edu ST:PHONE 13147880236 ST:SUBMIT_DATE 2021-10-20 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 21 - 84 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 1_001 Condition:Control Sex=Female; Age=55; Race=White; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 10_010 Condition:Control Sex=Female; Age=55; Race=White; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 11_011 Condition:Control Sex=Male; Age=55; Race=White; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 12_012 Condition:Control Sex=Female; Age=21; Race=White; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 13_013 Condition:Control Sex=Female; Age=23; Race=White; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 14_014 Condition:Control Sex=Female; Age=52; Race=White; Smoke Status=Former; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 15_015 Condition:Control Sex=Female; Age=57; Race=White; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 16_016 Condition:Control Sex=Female; Age=60; Race=White; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 17_017 Condition:Control Sex=Female; Age=58; Race=Other; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 18_018 Condition:Control Sex=Female; Age=61; Race=White; Smoke Status=Former; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 19_019 Condition:Control Sex=Female; Age=44; Race=White; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 2_002 Condition:Control Sex=Female; Age=54; Race=White; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 20_020 Condition:Control Sex=Female; Age=69; Race=White; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 3_003 Condition:Control Sex=Female; Age=44; Race=Asian; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 4_004 Condition:Control Sex=Male; Age=41; Race=White; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 5_005 Condition:Control Sex=Female; Age=59; Race=White; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 6_006 Condition:Control Sex=Female; Age=24; Race=White; Smoke Status=Current; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 7_007 Condition:Control Sex=Female; Age=53; Race=White; Smoke Status=Former; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 8_008 Condition:Control Sex=Male; Age=46; Race=White; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 9_009 Condition:Control Sex=Female; Age=49; Race=White; Smoke Status=Never; MTX (mg/week)=- SUBJECT_SAMPLE_FACTORS - 21_021 Condition:RA Sex=Female; Age=42; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 23_023 Condition:RA Sex=Female; Age=36; Race=White; Smoke Status=Never; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 25_025 Condition:RA Sex=Female; Age=49; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 27_027 Condition:RA Sex=Female; Age=76; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 29_029 Condition:RA Sex=Female; Age=76; Race=White; Smoke Status=Never; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 31_031 Condition:RA Sex=Male; Age=64; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 33_033 Condition:RA Sex=Male; Age=59; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 35_035 Condition:RA Sex=Female; Age=23; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 37_037 Condition:RA Sex=Female; Age=47; Race=White; Smoke Status=Current; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 39_039 Condition:RA Sex=Male; Age=74; Race=White; Smoke Status=Current; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 41_041 Condition:RA Sex=Female; Age=84; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 43_043 Condition:RA Sex=Female; Age=67; Race=White; Smoke Status=Never; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 45_045 Condition:RA Sex=Male; Age=60; Race=White; Smoke Status=Never; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 47_047 Condition:RA Sex=Female; Age=55; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 49_049 Condition:RA Sex=Female; Age=44; Race=White; Smoke Status=Current; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 51_051 Condition:RA Sex=Female; Age=32; Race=White; Smoke Status=Current; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 53_053 Condition:RA Sex=Male; Age=64; Race=White; Smoke Status=Never; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 55_055 Condition:RA Sex=Female; Age=21; Race=Hispanic; Smoke Status=Never; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 57_057 Condition:RA Sex=Female; Age=51; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 59_059 Condition:RA Sex=Male; Age=24; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 22_022 Condition:RA+MTX Sex=Female; Age=43; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 24_024 Condition:RA+MTX Sex=Female; Age=37; Race=White; Smoke Status=Never; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 26_026 Condition:RA+MTX Sex=Female; Age=49; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 28_028 Condition:RA+MTX Sex=Female; Age=76; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 30_030 Condition:RA+MTX Sex=Female; Age=77; Race=White; Smoke Status=Never; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 32_032 Condition:RA+MTX Sex=Male; Age=64; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 34_034 Condition:RA+MTX Sex=Male; Age=60; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 36_036 Condition:RA+MTX Sex=Female; Age=23; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 38_038 Condition:RA+MTX Sex=Female; Age=48; Race=White; Smoke Status=Current; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 40_040 Condition:RA+MTX Sex=Male; Age=64; Race=White; Smoke Status=Current; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 42_042 Condition:RA+MTX Sex=Female; Age=85; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 44_044 Condition:RA+MTX Sex=Female; Age=67; Race=White; Smoke Status=Never; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 46_046 Condition:RA+MTX Sex=Male; Age=60; Race=White; Smoke Status=Never; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 48_048 Condition:RA+MTX Sex=Female; Age=55; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 50_050 Condition:RA+MTX Sex=Female; Age=45; Race=White; Smoke Status=Current; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 52_052 Condition:RA+MTX Sex=Female; Age=33; Race=White; Smoke Status=Current; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 54_054 Condition:RA+MTX Sex=Male; Age=65; Race=White; Smoke Status=Never; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 56_056 Condition:RA+MTX Sex=Female; Age=21; Race=Hispanic; Smoke Status=Never; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 58_058 Condition:RA+MTX Sex=Female; Age=51; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 SUBJECT_SAMPLE_FACTORS - 60_060 Condition:RA+MTX Sex=Male; Age=24; Race=White; Smoke Status=Former; MTX (mg/week)=15-20 #COLLECTION CO:COLLECTION_SUMMARY Venous blood samples were collected in 8.5 mL ACD Solution A BD Vacutainer tubes CO:COLLECTION_SUMMARY for the healthy control, and RA patients prior to initiation of MTX and at a 16 CO:COLLECTION_SUMMARY week follow up visit. Venous blood samples were collected and separated into CO:COLLECTION_SUMMARY plasma and cellular fractions by centrifugation at 3,000 RPM in a Thermo CO:COLLECTION_SUMMARY Scientific Sorvall Legend XTR centrifuge for 10 minutes. The resulting plasma CO:COLLECTION_SUMMARY supernatant was separated into aliquots and stored at -80 ⁰C prior to CO:COLLECTION_SUMMARY analysis. CO:SAMPLE_TYPE Blood (plasma) CO:STORAGE_CONDITIONS -80℃ CO:ADDITIVES ACD #TREATMENT TR:TREATMENT_SUMMARY Biobanked plasma samples were acquired from a subset of RA patients (n=20) that TR:TREATMENT_SUMMARY participated in a 16-week multicenter open-label study that sought to evaluated TR:TREATMENT_SUMMARY predictors of MTX response in RA (ClinicalTrials.gov NCT03414502) (PMID: TR:TREATMENT_SUMMARY 32911284). The study included sites within the Rheumatology Arthritis TR:TREATMENT_SUMMARY Investigational Network (RAIN). For each patient, plasma samples at baseline and TR:TREATMENT_SUMMARY 16-weeks were provided for analysis. All patients received 15 mg/week of MTX and TR:TREATMENT_SUMMARY 1 mg/day of folic acid upon enrollment. The MTX does was escalated to 20 mg/week TR:TREATMENT_SUMMARY in patients that did not achieve clinical remission by 8 weeks, as tolerated. TR:TREATMENT_COMPOUND Methotrexate TR:TREATMENT_ROUTE Subcutaneous or Oral TR:TREATMENT_DOSE 15-20 mg/week TR:TREATMENT_DOSEDURATION 16 weeks #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Plasma samples were sent to the West Coast Metabolomics Center and were SP:SAMPLEPREP_SUMMARY processed according to laboratory Standard Operating Procedures for samples SP:SAMPLEPREP_SUMMARY preparations of blood plasma or serum samples for lipidomic, biogenic amine, and SP:SAMPLEPREP_SUMMARY primary metabolomic analysis using a biphasic MeOH/MTBE/Water extraction SP:SAMPLEPREP_SUMMARY procedure. The upper organic phase was used for lipidomics analysis and the SP:SAMPLEPREP_SUMMARY aqueous phase was used for analysis of primary metabolism and biogenic amines. SP:SAMPLEPREP_PROTOCOL_FILENAME Biogenic_Amines.Data Processing; Lipidomics.Data Processing; SP:SAMPLEPREP_PROTOCOL_FILENAME Primary_Metabolism.Data_Processing #CHROMATOGRAPHY CH:INSTRUMENT_NAME Leco Pegasus IV CH:COLUMN_NAME Restek Rtx-5Sil (30m x 0.25mm,0.25um) CH:CHROMATOGRAPHY_TYPE GC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Leco Pegasus IV TOF MS:INSTRUMENT_TYPE GC-TOF MS:MS_TYPE EI MS:MS_COMMENTS MS acquisition, data processing, and feature assignments were conducted at the MS:MS_COMMENTS West Coast Metabolomics Center. Please reference the attached protocols. MS:ION_MODE POSITIVE MS:MS_RESULTS_FILE ST001949_AN003173_Results.txt UNITS:Peak Height Intensity #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Height Intensity MS_METABOLITE_DATA_START Samples 1_001 10_010 11_011 12_012 13_013 14_014 15_015 16_016 17_017 18_018 19_019 2_002 20_020 3_003 4_004 5_005 6_006 7_007 8_008 9_009 21_021 23_023 25_025 27_027 29_029 31_031 33_033 35_035 37_037 39_039 41_041 43_043 45_045 47_047 49_049 51_051 53_053 55_055 57_057 59_059 22_022 24_024 26_026 28_028 30_030 32_032 34_034 36_036 38_038 40_040 42_042 44_044 46_046 48_048 50_050 52_052 54_054 56_056 58_058 60_060 Factors Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:Control Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX Condition:RA+MTX 10-Hydroxydecanoic acid 9196.4886 4217.0617 4176.3614 17416.3047 2281.3946 1160.5072 4135.9064 6956.8865 7317.9799 5850.7926 6768.8577 9116.5046 4936.7169 4353.2141 27377.6498 6366.8268 3201.1694 8660.5099 1572.8211 2614.0668 2738.1817 5278.8848 6392.4643 2958.0034 2269.4960 2132.7610 3866.3185 2910.8404 4474.4758 9180.9519 4050.6402 4274.2186 2912.4104 1310.9658 3662.8427 1682.0893 1620.9074 3659.1791 3171.9017 2233.5771 4106.8421 7649.2760 8116.9487 2718.5201 1809.1347 3635.7259 7983.2390 1925.9050 3771.8400 7412.8930 15750.7360 2125.4381 3197.4108 2040.4408 6237.7361 1900.4556 1937.9995 6904.2990 3868.7025 2817.9589 1_3_7-Trimethyluric acid 1972.3809 153.1242 1707.2095 826.4414 2987.7339 2810.7919 917.5686 1076.3937 5276.9475 994.5035 1551.5853 5645.9248 613.2911 501.7036 3167.3596 2033.9743 1771.5343 1367.0503 1567.7357 6877.8482 1043.1168 1083.1287 825.6217 2454.9416 698.2462 1075.6765 148.7388 1712.8127 2079.9855 3538.0849 828.5400 812.8162 2319.4958 279.1268 1620.6138 2925.9077 841.6250 3261.0436 1387.1947 3010.1155 654.4500 2064.6847 2425.0572 7878.3647 563.8765 3087.1559 1815.4220 2160.3980 1016.6288 3355.0228 2876.0147 692.0604 2357.8672 1023.1249 3610.1183 6891.6021 424.5404 2179.5351 2819.1525 3872.6864 1_3 Cyclohexanedione 744.6550 411.3116 1406.4427 346.4126 426.8191 2072.5066 590.8438 405.7061 993.4827 454.6034 1566.2481 800.1002 2849.1330 548.7083 788.9813 841.3996 1254.5496 802.8107 430.0739 1012.8044 1018.2807 800.0382 570.6104 866.1047 550.1333 584.3181 489.8584 1038.0398 755.1153 1618.8753 697.0257 938.6854 1543.1428 430.7858 1228.4823 725.0874 806.4316 1719.5784 1095.2076 1157.9478 312.3818 1348.0493 620.9976 3182.7391 1139.5775 1185.4464 1388.2639 892.0405 465.5865 1240.1957 654.9602 1116.9017 1102.7197 1028.9340 2706.9167 3517.5820 411.6756 1116.9334 1520.1106 1192.2134 1_5-Anhydrosorbitol 8844.7362 11499.0397 15205.8513 8124.3895 8419.6617 11479.4212 8353.9186 8515.6409 14430.1619 11006.0589 11933.7757 10917.3609 6872.5675 11499.4464 12473.3638 8220.1168 7374.7056 14432.4078 15899.2744 5945.5967 11445.2567 7581.7373 9474.7345 11181.2495 4855.5938 8259.1195 8269.3574 6692.9308 12302.0446 10848.6738 9337.4805 9092.4810 8466.5730 7165.4116 8988.0548 11447.3818 15263.0024 10020.2388 4898.0756 13951.2163 9077.2322 6280.4701 7939.4305 9728.3022 17473.4440 9388.7934 12667.7912 9199.6834 10670.1031 8490.5844 8163.8932 10569.3682 8866.7474 9837.9761 12570.5785 9790.3861 13767.8486 8727.8897 5061.4777 10739.8906 1-Methyladenosine 11626.1641 13253.6224 15108.5173 14750.5775 15435.0787 13319.2932 6556.6702 15145.8621 10449.8158 10516.8044 18617.6912 17235.7827 14724.5110 10969.3705 11487.1098 10294.7113 9555.2562 14860.8342 9323.5962 10378.1189 21129.3247 11490.4638 11451.9972 11044.7217 11341.2105 8526.3961 11012.0161 18801.4127 13356.5762 13005.9415 16320.9236 11102.0883 12041.7302 6588.3240 15336.3725 12972.0606 15750.5543 8838.8689 9244.2082 11232.8256 9962.4825 9189.7194 9609.6299 11969.5037 9094.4491 11108.7660 10673.1807 14553.8788 8568.1668 11383.8238 18472.2540 11645.5785 10362.7073 12533.0987 15582.9159 10216.9250 14786.3208 10755.5771 11811.3856 15031.1212 1-Methyl-L-histidine 29098.8242 104648.6266 28979.5942 19608.6015 152862.7196 39339.0229 10600.6241 19851.1546 12106.9719 14913.8035 31153.0079 7189.3066 29219.7286 25002.6824 619.7505 28002.6704 2919.9297 2840.1322 21986.0772 28960.2658 2363.5703 2759.7900 56790.6568 7205.5218 24525.6027 69371.8369 67082.0956 38929.7847 21266.2947 47762.9253 118787.2952 32333.4454 109576.1805 12269.4857 81626.2578 23434.7128 37550.3512 62105.2012 55849.4429 313.7252 33057.8190 1180.1888 62414.6563 152.7915 44027.4504 22661.7400 13519.9395 10765.7284 713.1135 47615.5560 138538.6039 3998.4343 3877.3816 83226.0203 19512.9182 58369.5993 7522.2685 28301.5658 38490.1687 31356.8175 1-Methylnicotinamide 3615.3953 4078.4676 4680.5038 8402.9794 314469.4321 10957.2630 5343.6797 6224.8191 2954.7662 3089.4285 2239.4015 3608.5681 3296.6698 9593.7625 2680.2494 9329.4870 8612.2761 2313.7611 1264.7951 3415.8703 2628.4888 3119.4654 2296.9104 1857.9749 1982.6743 2355.2003 1663.7371 5072.5605 5872.2747 3402.5682 4399.7509 2270.9787 5837.8614 2240.4581 3674.6361 3267.6265 2667.6596 2493.5852 1754.9960 2009.4877 800.1831 4026.0707 2281.6824 3949.2015 1034.6358 2754.4459 1538.3465 9367.6342 1978.2515 4292.5018 4613.7719 1716.6053 7994.1225 4518.7412 2133.0074 1673.4128 1374.7024 1481.5823 1574.8514 3786.3814 2_3-Dihydroxybiphenyl 54.4171 44.7078 44.3989 3.2992 2.3197 43.4285 34.5637 1034.4757 155.4429 93.7327 85.3105 75.3718 77.3520 1.9186 2.2869 2.0299 165.4351 85.8351 223.0282 52.3595 31247.9719 225.6518 831.9518 66.2365 100.3092 1.3280 60.5643 1819.1576 2370.1807 87.9027 20.3249 1458.1624 1.7388 140.4938 1.9656 34.0772 36.1989 124.4173 94.2555 117.9899 119.4202 55.5231 64.2108 65.9592 1.4781 90.0904 1.9241 136.9891 45.1835 2.0949 40.9350 4264.4219 129.8018 69.7090 193.5432 51.8594 57.8919 81.4975 173.6968 62.2199 2_3-dihydroxybutanoic acid 1104.8054 981.5673 1157.4881 498.5881 2317.4948 1745.1034 1954.2605 1051.7531 1269.1949 850.5960 1441.1161 1229.9643 4718.0122 1089.8459 939.1940 936.7741 3898.7517 1061.4530 1582.4596 2630.1319 733.6550 532.3188 451.1090 1499.3025 1602.0338 950.1209 929.2425 799.1724 1032.9247 1501.0147 872.0756 904.0630 627.5929 1366.6775 823.7139 659.3834 1288.1819 572.0145 602.4534 749.8851 848.6029 614.9080 337.3277 262.2088 685.8617 1200.3828 663.4141 1163.1711 631.2666 938.4400 1150.2810 1226.2775 444.7435 1762.9113 821.5893 488.2982 1187.6835 768.1630 376.9560 1108.4587 2_4-Dibromophenol 783.7971 371.0746 1810.3295 465.1826 498.7289 1623.7450 594.7566 217.0752 1465.2180 868.9018 1053.0519 454.5497 225.6101 1106.0502 1425.8835 268.9637 2061.0457 805.3353 815.8328 317.2829 473.9559 756.2755 713.4891 1406.0577 532.8927 227.7513 724.9904 567.4868 89.6415 808.2168 551.1644 1268.2920 1288.4156 1501.7024 1485.9721 1415.1511 251.3814 965.2165 1529.6024 715.2569 40.4814 628.8314 413.4120 2508.1187 193.6247 274.7310 553.1890 556.0144 669.8945 500.6871 942.8257 1576.2229 1993.4696 900.4080 1556.4099 888.5657 182.8648 65.8249 1559.0608 1139.0254 2_5-dihydroxypyrazine 489.2276 696.2155 594.3277 541.9875 400.2413 503.7412 946.1102 541.1837 610.6227 573.7019 723.5984 848.9483 752.6829 622.9066 512.1100 481.5383 554.2703 420.9034 742.5463 479.3426 544.1889 1001.3133 795.1415 1593.2264 1235.0481 808.4277 814.4140 880.8028 1089.4432 1041.2003 587.7911 837.3201 998.3555 711.7038 815.7263 1315.7741 711.9951 1242.2032 695.2169 936.3850 412.0620 512.9383 1261.5421 1318.9899 864.9533 1419.9770 884.5521 936.7218 575.3182 825.2874 821.6293 762.5913 905.2650 536.4468 1138.4309 1449.0793 645.4379 1166.4697 1080.9337 659.8209 2-Amino-1-phenylethanol 268052.8699 191000.5929 217826.7507 259124.8562 247762.7054 184625.5985 98068.3264 239564.2133 185656.9072 192910.2500 360103.7646 218797.2693 171357.7634 183960.2287 169267.3537 230987.0145 165688.7773 204916.1723 119721.1065 233977.3476 174719.9985 257569.9188 159477.9235 180309.9243 123095.0784 148157.1710 196902.5790 203612.9566 193449.2898 219114.6479 169906.9005 223462.5934 192446.8619 145897.7413 190007.8763 198390.9310 212892.9146 147173.9121 129998.7913 121128.1107 134637.8978 273486.1513 181339.2142 198920.3601 125000.2688 269703.7847 201356.9524 162767.9822 146872.8968 183217.9723 192526.6021 209492.3441 177454.5154 222542.3773 177440.1393 159717.9538 174910.6607 273422.9870 169728.1379 149595.6832 2-Amino-3-methoxybenzoic acid 1143.7136 21995.1118 303.6312 102.2742 146.1392 1892.7607 309.1169 27873.9554 91.9140 19687.6079 162.6232 80.0100 61955.2910 182.2633 99.4802 177.6175 770.6519 208.2764 239.7372 510.3096 180.0618 214.7111 9518.6136 287.5837 25498.9156 3739.6358 113.1128 5305.0137 227.9020 440.7345 3414.5893 307.2061 4878.9394 82.8076 63.8811 8047.9027 193.0609 1825.6606 23732.9141 103605.2320 99.1795 251.7908 14324.2859 301.4084 179.5832 709.1271 135.6516 5578.6780 158.1423 67.0376 750.0350 189.6393 802.6275 278.1099 197.5754 168.8591 75.3513 211.0576 2441.2302 18327.7718 2-aminobutyric acid 51494.2395 72918.1152 66207.8871 79347.1647 39724.4379 110727.1074 26633.5850 151644.0304 86595.8871 61469.5484 47448.3914 22829.6334 64311.9039 44196.5244 56906.7536 81768.4453 37259.7446 49379.5310 29498.2668 60543.0514 34677.5678 123038.8499 35333.2332 49047.9490 55395.6858 57798.2134 48691.1497 43274.2260 22595.7156 32584.0787 68160.5013 16338.8654 78112.1454 35766.7241 24683.4593 74443.4837 32260.4686 46126.8109 71045.6663 67571.2499 28314.9837 70004.7488 35386.6253 55830.6197 47521.2607 20174.1119 20925.3116 48922.0177 36567.0123 48679.5003 27747.3107 50433.5343 75601.4649 19575.0478 36043.9810 31852.0682 5940.3647 68589.2033 38121.5145 85393.7602 2-Aminophenol 312.1823 159.8303 380.9712 588.9014 2973.8159 4972.5683 391.2873 200.6074 417.6682 583.0171 330.5783 320.0401 546.9893 667.6591 371.6216 940.8654 860.2626 254.9808 245.5490 185.9934 376.6811 557.9754 205.2751 454.4325 365.9719 169.9834 89.9558 455.4952 566.7163 430.9676 777.1299 320.0064 495.5445 144.2155 201.4711 284.9234 552.0336 248.8347 215.1484 265.2487 135.6128 392.5354 150.4116 3698.7236 290.4371 289.0027 223.1997 831.6042 352.6278 389.6561 736.8302 293.0790 768.0931 182.2600 334.6685 329.4966 157.1351 269.5686 172.6441 219.7767 2-deoxyerythritol 30581.7803 5384.1381 15653.4945 2547.4419 3670.5057 2527.7012 18732.2073 2714.8068 8016.3799 5279.9538 5350.9794 3014.7769 5558.6580 8223.9078 4687.1744 4229.6465 4796.6905 3803.4549 17465.0826 15887.0803 2080.9698 6431.3604 4914.6090 10352.4927 6498.8733 6797.3921 6144.7729 5890.4949 8006.1411 10875.7390 2177.1540 7530.8244 6397.5856 8576.5461 9911.5242 7777.9305 6782.4275 9138.2076 7528.1189 4997.6149 6750.0653 5403.3622 7340.8425 5860.9636 13152.4066 9129.4085 6640.1992 6617.9047 3393.8494 4313.2946 3229.1019 4749.9091 3548.0868 3662.5640 5343.3288 5161.7273 10350.3699 8853.0047 7081.8779 2489.7377 2-deoxypentitol 1215.9934 1250.8279 1104.8261 1181.8758 1069.9134 1559.1989 1183.6072 1404.3126 852.3275 1382.5741 1289.0996 1399.7540 1311.4475 2008.3203 1229.4548 805.2616 1166.1679 1127.8577 1749.6555 1702.7082 1340.9993 3206.7752 2259.5106 419.7583 3392.6014 1495.5427 956.2610 1195.2313 1565.9529 955.9042 2033.4942 3481.7549 1320.8417 6436.2775 1168.1760 1397.5735 1330.1227 1172.0788 1186.5579 1220.0203 948.5586 1192.7361 2040.8853 2038.0778 8301.1897 3487.9047 1460.1168 1181.1274 1400.8206 1403.5077 1587.8233 2678.6498 690.2893 1253.8128 1968.0162 1119.9228 1178.9219 1334.2294 2124.6613 1089.2603 2-Deoxyribose 1697.4314 776.7977 2224.2419 1181.1019 1177.2321 1975.9988 1369.5054 1324.9074 2086.9895 1063.8657 1340.9750 1241.8947 1929.1964 1231.7159 730.6653 1078.8996 1284.8794 772.5160 748.2705 1634.0848 898.2395 6113.1127 3435.4183 4128.4605 2791.4173 1082.3165 1580.9066 1934.9136 2579.8506 2485.6939 1263.7328 7172.4098 3161.9214 2380.0216 3848.5892 2688.3138 1309.1944 6443.5079 3615.5171 1030.8114 592.3784 4733.6674 5154.4560 4369.1694 4128.9361 6638.1433 2228.1491 1752.6541 990.1080 1751.3575 1484.2243 6409.5629 1587.3924 1185.7793 2677.3476 3530.2306 1047.5673 2855.5462 5834.1087 1708.0363 2-deoxytetronic acid 8404.8092 8296.6575 7368.3734 5845.7939 7578.2275 11923.8734 13610.0285 5595.5239 13076.5240 9952.0681 11372.8582 10228.8158 14001.1010 17719.6234 11753.1191 8340.9318 10465.1255 7747.8921 13537.9469 11147.8410 12638.4446 46881.6488 31099.7491 27865.2276 30780.4220 11725.5984 8482.8359 7473.7229 13236.0534 13390.5024 35574.0090 26597.0476 10806.1845 9437.8108 6703.5331 12522.2985 19340.7032 28931.3128 23557.8642 14450.8292 9482.5260 26647.0420 19952.0334 25011.1482 50550.0732 25545.8003 5087.1843 8721.7879 11050.3316 11545.7190 19705.2432 23406.5709 7216.4811 7207.3201 16739.6316 1405.5872 31596.2760 31594.7491 12988.8278 12494.1587 2-hydroxybutanoic acid 60733.9703 121739.0209 65982.1931 56994.4718 58012.5371 144317.8482 89731.1894 108824.3480 107056.6399 72948.3273 123677.5528 98605.3394 82549.2201 61205.6299 220438.9061 89998.0972 46445.5431 58266.5184 100015.5785 75021.2813 67797.3028 178018.0761 123855.6826 84015.4412 235126.9356 144806.5793 96506.1289 84926.9283 63804.5399 95441.3989 102978.7788 70392.5283 197793.1490 90789.6766 49169.2273 149163.2899 122802.6802 119007.0718 295604.8145 64346.3556 65262.8704 168245.8244 51055.9718 29964.3131 241871.0447 121895.4757 106985.3634 103341.6646 106796.9997 115578.6476 184222.1469 83440.5163 126813.0383 111235.9192 58929.5401 57419.5209 99486.0191 90217.4548 132783.4964 137312.4712 2-hydroxyglutaric acid 729.7982 681.1970 594.3277 338.1114 629.6479 749.6148 951.9265 883.8676 118.4060 737.7522 896.8971 866.1293 822.6534 500.6359 713.4356 855.8433 492.4518 642.5928 839.9133 1055.5957 1656.7762 2262.8494 2539.0990 3105.2840 3348.2405 1124.8112 1064.3349 1293.9941 1730.6361 1057.8673 1702.6720 3006.4645 1236.8408 3095.3956 1614.4792 1729.7591 1065.4962 2522.4739 1691.1509 530.3591 677.2504 1659.3245 2279.8698 1889.0955 2846.7688 3532.2175 1706.4989 2198.6527 762.1646 1205.2311 1091.8760 2677.6918 773.1240 743.6625 553.7232 982.5272 413.7422 2065.1125 2448.7455 1230.7226 2-Hydroxyisobutyric acid 19183.4572 44019.2837 26805.4801 51028.2223 26898.8838 52613.6813 14060.9078 52318.1223 40351.6170 22807.9681 44102.8805 29232.6482 25544.5864 17063.6784 68130.2471 28072.7024 18790.6713 29101.8884 16024.6131 15733.6346 33638.4479 86625.6792 47858.9309 21048.9440 53471.8639 30912.4188 30596.5537 36449.9708 22171.8253 27229.0916 42615.4129 25828.7822 66008.2599 24478.4939 13965.3863 47838.7331 38654.4184 57969.3072 128265.3102 27724.8929 16067.0837 97969.8717 22889.8306 11522.8181 64176.9835 36779.1674 27642.1334 28816.0514 38232.1170 42560.5013 63123.1081 32684.4605 53215.1576 31886.0621 22008.8190 14895.0181 21106.6436 26128.2998 53960.7680 51052.4234 2-hydroxyvaleric acid 3905.7346 6031.0071 4770.7423 6323.1869 6276.9551 5836.0014 4838.1519 5310.1186 9895.2189 6835.1126 10902.6206 4006.2272 7559.8149 7614.4798 6981.8961 6722.3155 7344.8668 9290.5235 9334.4464 5783.3724 3366.1819 4582.0969 4494.2350 5505.5595 5971.5834 7618.4363 8953.7293 3563.5227 8272.1679 5476.5959 3370.9467 3487.8224 3949.0077 4947.8883 29798.4727 10876.3340 6727.5050 5296.3937 8539.3435 5445.4089 6742.9256 4567.0049 2397.2472 3405.7353 4337.5586 4120.0998 5988.9023 4485.0919 6411.8947 3187.9970 5170.3248 4200.0003 4170.3332 6251.1827 6978.5113 4855.3053 4853.9263 6204.1669 6487.5602 10078.1835 2-ketobutyric acid 5779.7594 7110.1947 7592.9927 8060.1709 5508.6871 9018.3663 6492.8754 7355.3586 9093.7767 5602.3648 4426.7194 6844.1400 8568.3899 7618.3309 9898.1864 7861.4167 5555.2759 5469.7012 6007.2488 4183.8270 6709.2068 4212.0463 7108.6840 4260.1992 4774.8470 3665.5839 8697.0538 6110.1917 6423.6224 7694.2937 5437.8266 3292.6500 9911.1404 4406.3746 3848.9902 2335.2745 1781.4857 7523.3435 14916.5828 8782.0090 7611.9276 6509.5785 5610.8485 7727.2152 8554.0828 5326.3909 8371.9422 9021.0600 4628.9362 4417.1043 5623.7058 5706.9803 8070.4675 6188.0713 5852.0744 7151.4931 7306.2008 9358.2460 7760.3987 5708.0067 2-monoolein 3738.9524 3602.2984 3198.4071 3355.8813 4111.7473 3502.2005 4108.2123 2689.1302 4698.0762 2663.6836 5581.0310 4223.5176 3925.3462 3201.1816 5407.4512 5198.7930 5535.3683 4193.7100 4632.3088 3640.9195 8332.3001 7046.7921 8206.2173 1630.3321 3399.6588 7622.3183 7323.9363 5047.9878 6659.4411 9550.2185 7211.3169 5848.0942 6774.1414 4913.8503 5416.5426 8506.1451 5876.7058 6850.1495 6993.9639 8376.9545 7158.0475 5683.5212 6183.9883 387.3540 4631.7805 2186.0950 8907.1164 5764.9791 8418.6467 6646.9375 8556.8232 5944.5716 4794.5519 6659.3029 5702.1494 8254.6121 6326.8486 9763.4201 6299.5717 8458.4393 2-monopalmitin 1956.9105 3578.6979 3474.6136 2103.3554 4281.6058 4108.8888 49386.7609 4177.3855 2740.9522 4348.7551 3500.4324 5658.6444 2719.8541 41661.5737 5498.3409 1740.0124 5686.2471 3478.5829 5395.5087 4151.5235 4653.4991 2326.1736 4406.9875 5085.8012 2558.8179 41178.3762 3061.7721 2824.8173 4241.8126 5487.3804 2772.0270 4570.8777 3634.2457 2119.6395 4489.9893 2504.8587 4562.5605 945.6773 4561.7240 5256.9663 2469.3122 3072.4799 4401.1216 3050.1643 1635.4407 2818.2900 2646.5879 2481.9637 1010.2376 4133.7038 4437.7879 2915.2830 2347.9696 4218.9961 4570.7150 4122.8580 2567.1488 4717.8745 4868.1179 3065.6917 3-(1-Pyrazolyl)-alanine? 233.8980 42.4724 194.7823 174.8559 68.4302 153.2063 153.2542 125.7539 823.1714 49.6783 66.6489 120.5948 296.5161 249.4129 166.9439 165.4380 130.9695 204.4895 114.0568 47.6706 256.6399 711.1451 101.2811 377.2963 141.8435 49.1358 648.3943 130.8137 165.6088 31.7427 129.1231 99.2020 267.7679 521.9672 25.5524 72.8874 840.6195 1276.9147 151.6284 91.4651 53.9753 272.4506 85.3212 273.8558 110.1148 140.9334 126.0309 102.3389 92.3315 259.7707 59.4218 1533.1231 156.0003 84.9579 139.7812 77.7890 508.1620 105.5288 280.0204 165.5852 3-(2-Hydroxyethyl)indole 5751.0275 9853.5955 7308.6324 12208.5690 10829.3756 2670.8555 491.7177 8672.5293 7281.4846 3456.8605 11400.9532 9414.5129 3175.1166 14867.8858 2210.2910 5958.8140 2265.0824 1474.3442 705.4084 5423.5049 4952.7352 3470.9351 839.1862 7937.4767 1436.4593 8555.6120 2593.5774 3655.2551 3576.5420 4640.5316 7652.9362 1561.6312 2555.0968 3734.7172 6394.9872 887.9008 2137.7476 5575.2059 7629.5710 4704.9633 5601.9567 4493.4977 632.4324 7362.3803 1448.4902 10098.1484 2246.4284 3949.3140 2521.4358 3269.1309 7885.9319 492.5697 3824.9846 2124.6725 3016.0482 357.3236 2453.5129 4472.9576 8670.1045 2508.8665 3-(3-Hydroxyphenyl)propionic acid 24582.7932 7251.5985 4771.0500 10685.6180 8683.1047 3444.6799 12394.7794 5614.4972 27999.8590 25846.5995 3397.3080 46259.3342 5484.6389 13118.3133 4164.2437 14102.7938 15444.5230 3730.0139 9602.1099 16950.2229 4399.7859 3404.5744 3655.3238 5568.3561 4943.4526 21341.5323 5050.4031 16071.9203 4396.3533 9822.6022 3173.6671 4095.8506 2947.4804 4180.0976 6092.0882 3889.7094 4548.2497 36307.3260 9997.7868 5088.4648 3450.7714 19393.0142 4929.2383 3665.2156 2978.9715 21162.9780 9393.1964 9438.7188 2664.5595 12627.8502 4197.1834 2473.6963 15685.4954 10166.3704 4723.7459 7965.0179 4123.0534 29262.0335 5540.9108 3654.8736 3_6-anhydro-D-galactose 1797.2039 4011.0166 3095.2327 3621.3240 3033.0482 5689.0769 3320.1102 3739.8957 5301.8489 4975.5599 1767.4447 3180.5240 2480.9547 4255.4053 4465.3252 2682.8564 4643.7161 3100.5871 6097.7313 6116.8281 21751.7662 2897.0805 14664.5112 16465.6582 15316.6122 12057.5099 7995.5384 13227.1592 12627.9920 3289.2909 17321.1218 14144.4396 9879.2780 2079.4127 2039.8150 8867.2598 8087.5854 13804.4837 1950.0733 3165.6418 5147.7152 10031.1369 1598.8698 1461.0197 6862.5530 9466.1853 2504.2114 15287.8188 13694.6839 3436.1023 13890.4839 6721.5333 1995.9221 7354.5800 2243.8782 9464.4846 9917.1575 2876.4417 11955.8704 3417.3267 3-aminoisobutyric acid 159.7065 249.9510 180.5552 241.2197 348.5028 184.9050 230.7113 392.0619 184.9482 162.1538 149.9896 139.4701 151.9360 114.5686 255.0777 118.3613 40.8630 241.1000 352.0948 186.5268 256.8319 276.0538 165.5719 378.0144 297.4197 142.6637 123.5130 384.9733 243.6143 278.4377 221.5598 122.3620 240.4164 64.9816 170.7334 292.2834 163.7689 165.2932 6832.9020 285.5780 181.5521 118.4496 117.3773 236.3852 387.7037 191.0371 258.4992 305.2576 190.0133 183.7432 283.1156 147.5365 103.5434 123.0672 325.8371 68.2036 170.3644 136.3661 129.2421 233.4129 3-Aminotyrosine 1803.4015 6053.4339 5088.6873 1217.3928 1882.4115 4354.9179 1529.9332 1729.1164 1078.6383 2459.5450 3316.4470 1587.4453 2917.2765 3353.6440 1589.3970 3604.1132 1555.0900 5118.5494 3061.3709 7354.5540 1194.2032 1323.8240 1676.5637 5379.4075 2608.8232 2266.2246 5058.0103 5535.5846 4706.9358 1963.1610 656.3759 2343.5134 5852.6408 766.6684 9224.4276 2475.3312 2806.4222 2277.4919 1404.6115 3201.2776 2420.1155 1455.2218 1826.0496 4211.3683 454.5007 3349.3991 5340.4386 2555.2489 1383.0080 1691.6521 4108.0265 1193.2500 3468.9228 2721.5559 3556.3563 996.7115 2695.1885 3344.5310 1575.9041 6102.5670 3-Hydroxy-3-methylglutaric acid 3446.4159 2135.9144 2983.3199 2952.7548 2586.4311 3183.5536 1597.7563 2895.3343 5053.9207 2342.3792 4089.5738 2271.5890 2655.7530 2076.8419 2111.9542 2481.5705 3556.8549 3167.0630 1353.4253 1946.6788 3352.8755 2594.3120 2304.1447 2483.4484 2171.5377 1719.0904 1834.7423 2765.9101 3262.0372 2348.9563 3064.2830 3426.2017 2204.7381 2072.9820 2168.0255 2150.6510 2192.0460 3896.2269 2942.4101 1650.0299 1850.6765 2290.6509 2395.1508 2852.1083 2085.5303 2827.5886 2288.7594 2041.9428 1768.0500 5329.4898 7899.1367 2888.9211 2045.8666 1613.4731 2502.6211 2156.5902 3816.2694 1762.6441 2845.4702 2461.6998 3-Hydroxyanthranilic acid 1008.1482 255.9521 548.5413 211.1467 329.3930 244.8887 596.7131 258.9932 746.1258 804.2262 267.9284 502.0919 1038.7272 298.3362 512.2661 157.3184 789.9527 555.4036 480.2008 1139.4049 258.7095 310.4422 196.2321 587.7439 249.2057 507.2943 131.8164 463.9652 270.4437 698.3384 138.6878 540.8108 560.7477 149.7981 436.3569 358.7574 806.4316 263.2409 424.1496 128.9658 155.8535 579.7645 171.5220 1062.8612 155.1954 497.7270 345.3824 435.1417 111.9765 561.4400 1105.2453 257.3677 576.3675 281.0144 237.8969 686.1878 594.5404 462.8639 401.0818 207.7341 3-Hydroxybutyric acid 2424.2505 4600.3134 6180.3908 5181.1237 4079.1328 4426.5204 3644.6048 3635.1582 3718.0465 8787.1716 10809.3612 4706.0158 5054.7406 4236.5972 15363.8477 3769.4966 6299.1190 3062.7937 2836.5026 7529.1030 3884.7917 10445.6356 53682.4219 13436.4587 14462.0619 24739.7306 4524.3977 11078.4990 2697.5451 7041.5730 12646.9465 5500.8767 28576.8791 2775.2290 4407.7053 13660.3920 21633.7481 54926.7302 13191.9630 4028.8536 5115.1309 13429.6222 3134.3375 2397.5063 33290.6565 7605.6828 7299.3765 6699.0433 47622.6443 3323.5815 11666.3291 2228.3191 8260.6572 2706.0571 6018.8510 3560.9959 2632.4873 4660.6211 7040.8226 3620.5489 3-Hydroxyglutaric acid 1228.6807 719.7953 696.0602 882.5273 19075.7995 1105.0152 365.8536 696.1378 1063.7699 721.7415 29605.4215 480.0601 311.2498 1182.7926 792.4116 722.6496 23753.7246 961.8581 526.6953 353.2312 1670.2287 1464.6854 37948.7574 560.0755 739.7805 13762.0189 18494.3800 477.1407 26985.1154 883.9108 41752.2009 33316.9316 989.3502 401.0122 16701.4620 434.4845 720.9619 44322.6908 1269.3754 365.8603 439.2236 1007.1633 29597.6602 806.5388 36852.9898 1139.9553 24094.9893 429.5010 766.1550 22705.8473 31875.1691 1081.1904 777.6198 374.6859 842.7194 14362.5111 542.1620 1346.7980 789.5311 938.3161 3-Indoleacetonitrile 33763.4192 30002.2758 45319.8230 55259.4045 49948.2766 19671.9242 16177.1197 34983.5431 39489.2470 40721.2168 42599.2823 31323.3449 18905.2040 37896.3693 21398.5439 16835.0958 21469.3414 15757.0537 24740.8751 21615.8711 49997.1689 26704.8662 35100.2268 15733.2577 17274.3437 18545.4593 28403.7695 35702.7327 33557.8089 34196.6039 2453.3393 20216.9368 17577.0487 15508.2875 31104.1879 25260.6837 17358.3899 35462.8674 23867.1257 26769.9975 24434.5975 18567.9590 33165.3178 12120.6253 413.1153 20180.2411 30620.6955 19707.8907 25779.1514 27916.9738 30076.6695 23463.5563 20012.1002 20165.5090 32871.4313 22932.5854 15967.1313 29452.9788 23690.1446 33411.0774 3-Methyl-2-oxovaleric acid 2770.4983 3721.9230 4581.6804 7152.5949 5568.3659 6404.5039 1654.4930 3564.5248 4513.2499 4100.8039 6272.9902 4801.7611 3357.4464 2550.7264 4976.2992 3333.1196 3015.0549 2968.8849 2309.4680 3984.7913 1910.3112 5032.7192 3482.4417 3560.8391 1764.0316 2673.2552 4575.2772 5189.2577 4722.1293 3378.1508 3262.7500 4348.8868 4177.3528 2399.5604 1812.2570 4625.9822 4311.6941 6121.3325 8050.6470 3426.2816 2867.4354 5574.2614 3008.2320 5594.0063 1786.9639 4997.7851 3144.9998 4100.8078 3813.0945 2751.6843 4950.4954 2398.8143 4849.1087 3909.5135 2013.3869 5899.9501 2072.1617 3739.4803 7018.4054 6942.5355 3-Methyladipic acid 1479.7630 1226.1110 1099.9470 1334.5132 932.5070 1234.0945 949.5238 2107.8752 1654.4528 923.2667 1696.8799 1418.1487 1363.7899 1580.8940 1630.5613 1384.4017 1553.7114 3719.9421 895.0187 550.1653 2659.5340 2251.0478 1224.4160 1009.4773 887.8933 1465.4432 1142.7060 1505.7694 1037.7137 1380.8054 2351.7147 1939.2387 891.1106 1312.8266 877.6277 553.7548 831.5697 1859.7116 1458.9108 813.1245 865.6281 1998.8317 1633.4172 1061.1913 894.2210 1648.3860 1153.5194 992.7678 1139.4100 1678.0351 2563.0599 1753.5480 1299.2087 931.6318 874.9766 401.5938 698.3782 1105.4401 1109.5544 1679.9370 3-Methylhistidine 1982.8825 4769.2028 6049.7087 1110.1698 13400.7289 8758.0897 2990.7390 1393.7726 387.9313 212.7731 13020.5204 1369.4469 2575.6384 382.7528 5328.4821 16798.5573 4036.6167 3605.0745 5107.8545 11465.1643 620.9029 5432.0545 439.4876 520.6690 560.3210 401.0547 2116.1882 266.3330 1308.1574 4378.0443 679.0920 718.9477 3473.1581 490.3328 2037.3150 670.1853 1941.6701 874.8503 5500.6266 1036.2993 137.6369 33147.2932 1084.5468 327.2911 489.2350 1717.9608 1964.5425 4286.1459 371.2905 2607.1345 10058.1285 5216.3128 8238.2451 3141.9883 650.5202 2045.2823 7141.8361 761.6879 908.4871 1078.8126 3-Pyridinemthanol 1440.6209 8779.4910 6510.8844 2118.0655 1300.1746 7825.5824 1895.7868 9674.0695 4957.9517 7769.5002 1483.6035 6430.9507 20913.5941 1123.3173 7782.3282 997.7030 1643.3221 1815.1601 2156.1815 2778.9602 2384.2670 1952.9139 3143.3309 1499.9626 7331.9766 2083.6252 896.8861 3072.7106 2336.7551 2313.5510 2855.0557 1924.3051 4180.8303 1324.9221 2405.8596 8779.6163 1470.0786 1405.2610 6099.9685 32278.0242 650.4018 2484.3361 4138.5180 13402.2372 939.3015 5045.9523 3347.0340 3577.8319 1045.1140 1493.6817 3121.6247 2664.8019 2424.5544 1429.0347 14279.1874 16920.6950 1486.8105 1946.5359 2249.6374 5597.7830 4-Acetylbutyric acid 11970.8057 9988.8365 8849.7041 18349.9691 15856.0987 12942.9125 5171.5133 8799.7803 14223.6983 14504.1918 24081.5644 11828.7285 6608.0732 7773.0485 6183.7836 9950.6408 9211.9784 7216.4605 6015.2233 9606.7933 3775.0895 3882.5788 2615.2224 6077.8249 2233.4473 7042.3609 12435.2773 10686.2570 5325.3099 13427.1421 2382.7999 3175.5300 12415.5620 1904.5755 5208.7648 4529.4301 10896.8818 12426.0169 22099.8355 4341.8470 3702.0277 14505.7338 4359.2976 5751.8074 430.8519 6616.7357 7329.0329 6010.5964 5276.6470 18106.4389 18498.6637 3965.1859 11574.9845 14845.1142 5190.7212 11779.6624 5119.2961 8285.5767 13646.2560 22018.8163 4-Aminobenzoic acid 687095.0328 21833.0461 249987.3115 18990.0076 57933.7378 84656.7088 568913.4185 8099.1513 512043.6776 159748.5723 55669.1228 380959.0366 80501.3605 47546.7293 16295.3217 209895.1880 159581.4645 21793.2814 228141.8749 983197.8206 12422.1968 85212.9621 5260.2865 652241.4182 105311.3520 325747.3736 23227.3025 304762.0724 271420.6393 511967.4781 6926.0208 106306.1218 385234.5193 22960.9743 332628.7695 188039.9763 256689.5913 671815.5911 103542.7136 111736.4770 15866.7006 250136.7491 8329.8119 819193.8004 113053.9199 693154.3543 173719.6293 174665.8849 2192.3820 325792.2999 29539.2324 23479.5648 354394.5870 389424.2902 66797.9418 570508.5390 39094.4771 463860.6467 382079.3768 142266.7823 4-Aminomethylcyclohexanecarboxylic acid 28496.4175 16169.6876 59392.8432 26838.7269 15084.8087 23736.1121 15659.9684 8380.6006 47981.8343 21255.7553 17639.2860 20312.1102 27316.3162 10623.0703 22049.1676 20854.3265 26301.4253 14768.6876 14955.2401 12796.0331 5219.7235 49487.4937 12598.6438 75089.5190 19782.8577 29724.5267 25960.7122 68040.0709 10884.5992 18425.3890 10071.6036 17234.4773 15063.6820 8937.6416 48555.5155 37938.3550 12512.7616 30682.6227 31948.5082 7536.7220 5689.6665 98862.1150 12334.6307 131011.6281 9425.5326 29828.8297 11486.1280 30136.7871 33480.9737 16304.8032 18765.4015 26144.3667 10710.4332 11904.2654 15581.5719 29634.4582 12652.5915 32015.9700 55152.4336 15125.4546 4-Guanidinobutyric acid 1631.5581 1336.7627 3392.9356 1959.7054 1630.7274 1038.6660 968.4360 1594.3801 1265.1698 867.9644 1443.6142 1276.6817 1147.3884 1194.3040 2568.1912 3534.0811 1226.9771 3942.1035 1301.8454 1131.5901 2040.7008 12271.3558 1094.1975 1229.1477 945.1009 693.2137 1008.2176 1113.3282 3258.9985 1430.8611 1082.0039 1150.9563 724.1904 1142.5592 871.7310 1804.1993 2198.0791 1003.1966 1664.8386 2087.2330 730.6900 2294.5246 815.3892 6191.8136 716.8548 2006.9635 1012.0954 1178.1059 2213.9915 1379.5083 1106.5658 1503.5689 1665.9880 712.3389 1460.9824 539.4638 2580.3237 1626.8150 1449.5791 923.2629 4-Hydroxy-6-methyl-2-pyrone 394.2852 348.7207 759.0780 874.2794 1027.6134 673.1424 532.8028 579.3663 981.3176 524.9029 1105.0380 563.5489 241.2647 564.0568 754.6777 1003.7927 765.1374 891.1704 350.1616 404.8092 1134.1826 1435.9661 1254.2578 547.4989 483.5218 492.0224 1391.1978 1233.7898 1086.3328 811.8794 3593.9269 628.2792 850.2500 286.5702 418.6668 585.9388 764.1995 933.7848 817.5638 498.4846 367.0317 747.6251 1337.8716 859.1392 1312.5095 965.1265 557.9994 954.8943 521.5748 910.2450 1004.8885 679.7461 859.7879 471.9881 818.5265 464.8369 509.9999 570.4823 761.1080 681.4082 4-Hydroxybenzoic acid 2526.0987 3310.6114 3524.7001 2177.4505 1769.9076 2687.7443 1379.9397 39949.3259 8645.3268 86757.0754 6619.5643 1534.1053 1549.8031 1826.4697 3370.8939 2591.1858 3050.8992 3177.1613 70700.6686 2011.5420 4615.3780 47341.7501 831.9518 2174.9038 2692.6755 13937.9784 1843.6488 1487.8884 3929.0304 1401.5602 2704.4121 1846.4369 1662.2474 1092.3164 5086.8993 267666.1267 1296.1226 1482.5307 1356.4592 1409.4768 1001.2410 26085.5291 2008.1268 6462.3297 1094.4969 73197.9732 1402.6949 1220.0084 5357.1915 1600.5229 1979.4059 3872.8290 2314.9969 963.5818 1956.9368 3131.1666 1626.4861 1293.5112 1498.0037 1626.7491 4-Hydroxyhippuric acid 1700.2955 2807.6488 1034.0648 1679.2762 1376.7237 1333.0150 1195.3826 416.1856 1842.3359 1858.7186 1404.9579 1719.6358 2253.3382 506.5000 957.0686 827.1902 829.9328 651.3370 725.0233 1016.7118 701.6202 627.7223 563.3760 1520.0851 269.5810 2592.9115 608.3150 1484.1239 641.1643 568.9260 344.3283 551.4777 246.9029 236.3274 995.5620 834.8918 625.4370 2598.3577 627.0038 1088.4344 2808.7373 881.9135 545.3520 2539.0109 440.4593 1458.3935 1724.9877 1244.9888 145.3730 824.3531 772.4833 652.6548 744.2763 1199.5758 1518.7765 1154.1868 536.6485 598.6930 922.1724 568.0074 4-Hydroxyphenyllactic acid 5068.4271 6724.0506 7292.8780 10154.8373 8530.5834 6731.4243 3178.5569 5712.8210 12086.6968 4527.2875 7985.8658 7400.3475 4890.6741 4330.1914 9252.8063 4839.3161 4375.7587 7837.5027 3274.2285 7049.7749 14912.0173 6911.7834 3710.3241 7835.1875 4886.9395 4796.0563 9974.4070 5792.5065 8869.9456 8120.0147 4814.6187 5554.2442 5644.8599 8241.6853 3597.9788 5310.3663 9257.8750 10579.4019 7750.4638 6955.0041 6141.0345 7375.5342 5774.5740 8396.8540 3041.0904 8387.3235 8131.3975 4865.5290 7585.9168 6862.9751 7327.3670 5795.0822 6546.0586 6069.7666 4501.2235 7370.3525 7720.7549 6723.5418 8659.5774 11014.9276 4-Hydroxyquinoline 358.0072 282.7767 541.3802 783.5523 592.6755 371.5553 207.3822 607.8106 371.7112 579.2678 518.5281 354.8271 337.0338 235.0237 407.0686 6292.7349 312.9481 408.9790 269.5227 324.3162 382.8901 482.7581 272.1929 443.5328 295.4420 311.4150 380.3082 269.1563 536.3294 406.5501 443.5618 376.5408 314.7142 330.3001 314.4915 598.2445 309.7019 413.8513 756.0928 341.1647 248.2862 426.1075 301.7028 716.3668 331.8225 504.8628 475.2615 323.9388 273.0655 412.7003 463.4900 290.6161 292.9471 307.8815 461.0092 323.8047 353.7837 433.6084 332.6558 366.2945 4-Pyridoxic acid 4641.6825 2305.8039 3415.8511 4985.0420 53686.4235 91403.8157 8810.4848 1518.0295 2835.8186 10816.7489 2492.6672 1428.5848 7503.1467 11241.8061 2177.1309 14839.6899 11708.6699 2278.4172 4551.3737 2463.2403 3152.1169 8466.7295 1332.0272 6716.7134 3696.5513 1293.4678 1343.1026 7132.6413 6622.8319 4827.3249 11900.8478 1698.1672 5779.6132 817.8417 1285.4838 1935.7752 8791.3111 1762.7971 865.7161 1736.0071 891.9411 3031.8197 1117.9716 59164.5487 2728.4825 1616.2746 1323.8054 16186.4660 5063.4988 4290.4069 9067.7653 1561.4459 8551.4366 1144.3895 2178.7051 1819.5044 1599.8375 1003.0459 1609.5908 1558.5079 5-Aminosalicylic?acid 550.8537 200.0673 292.1734 214.4459 133.3810 207.4919 496.9348 242.5254 605.5513 278.3860 218.6082 378.0184 209.0346 210.0824 181.8087 307.5320 217.8229 205.7518 225.9341 544.6949 256.6399 243.4304 116.6541 579.3595 493.7094 318.7190 102.4249 314.3294 227.9020 444.3971 149.4481 177.0702 352.0974 152.5893 210.3162 241.3803 325.7903 409.9224 196.7071 192.0767 82.3123 466.1358 108.1908 1108.7821 184.7564 611.9009 177.0205 282.0363 167.9648 260.8182 157.1376 195.7964 373.9244 280.2883 178.7587 476.8531 220.5405 389.7251 302.1272 169.5994 5-hydroxymethyl-2-furoic acid 1890.1976 1498.6334 2825.4746 390.5943 442.2178 1911.0181 1954.2605 462.1788 1799.5755 693.1836 470.2376 2082.9552 2293.0339 905.9585 1788.4756 790.0870 976.5215 730.4513 1266.7545 1682.9093 1162.0590 2188.6414 3347.1293 2324.9046 3126.4359 903.5368 735.2885 634.9036 1317.4663 1758.8638 1417.3758 2608.0296 1286.0827 947.9069 1333.9172 1385.6029 1674.6365 2082.6939 2793.1003 1646.4445 385.5432 2224.7927 3162.8435 2566.4684 5208.4160 4051.1688 1702.4598 1137.2342 773.7766 1293.4693 1272.0405 3235.2648 548.2869 526.9801 1039.4803 1892.8969 1179.8954 3684.8278 3052.8543 1772.3214 5-Hydroxymethylcytosine 542.2616 466.0786 740.4591 969.9552 1195.7895 454.7934 251.7281 348.8174 463.6253 261.5141 719.8076 593.6976 221.9267 424.9612 379.6258 618.1090 580.4015 494.8142 298.5817 597.0544 51.7419 335.0588 245.0641 252.3693 148.8965 213.8073 634.1439 243.7464 337.2950 588.4599 581.0541 349.8736 441.6431 308.9004 446.1848 338.8790 340.8732 378.4906 512.2580 225.9187 314.4059 517.7852 311.3784 429.1521 253.4858 250.6474 512.7822 249.8036 563.8115 488.1176 846.4304 220.4249 513.2529 413.1711 364.2376 502.7828 161.7297 507.7920 373.7114 385.3619 5^-Methylthioadenosine 966.1421 1007.0428 1022.6070 1106.8707 1348.8876 1111.0469 462.3711 1476.1115 1236.7846 1108.8574 1764.8617 868.5146 1850.0027 777.9763 803.8461 789.6367 982.9603 1146.1511 782.4149 1402.7653 1301.8264 839.6983 562.4718 1323.8910 637.1202 482.0624 805.1490 1550.0013 1107.6037 981.5805 667.1361 1008.0201 545.0989 197.2496 656.5009 1167.1447 1765.7031 480.6438 637.2490 863.4303 748.9067 878.0398 592.8504 771.4719 114.5490 568.1937 764.8439 1685.7712 608.0128 720.6543 1298.0360 669.8948 631.1463 1145.8418 1073.8960 588.7934 1953.6212 849.4545 817.9542 1665.8874 6_7-Dihydroxycoumarin 553.7178 851.6833 710.3825 701.0731 466.2535 743.1106 391.2873 582.3604 748.8291 405.8624 1086.3763 390.7736 325.0627 446.0654 524.8441 677.9914 858.8839 681.6317 676.3494 256.3270 2127.6272 1215.7846 720.7235 819.9907 486.6564 567.7181 928.9496 920.4015 1074.1781 880.2482 1566.2157 893.8845 1126.7116 913.6752 698.7607 1098.0437 647.5585 933.7848 936.4077 754.5869 294.1651 711.4705 876.0816 473.4032 1219.3922 1186.3384 1367.0984 1692.2178 1356.4873 1105.0731 724.9458 1391.5093 620.4287 362.3416 986.5327 399.6965 621.1890 914.2345 764.2661 1390.9156 6-deoxyglucose 8107.6338 10261.9377 6695.5902 6419.0693 8658.8790 10068.8265 9572.5806 8055.5398 10057.6602 6947.0082 17491.0141 9493.0606 19865.6302 11841.9651 14905.9182 8793.1327 14952.7239 2739.9587 21367.6306 12381.6272 8930.1710 8251.9301 10913.8625 13941.3105 11477.3772 6730.4275 3870.3964 10068.7655 16667.1175 15560.1599 8310.0108 6416.4202 16203.4836 7834.9301 12993.7116 7105.5789 23549.7626 10929.3844 19909.5044 12467.3250 6423.6795 7197.6162 7956.2804 2090.7183 8534.4024 5696.6485 10575.2443 692.3162 10553.1300 10447.4120 10230.7690 7526.2779 15060.1392 7619.6478 14228.8867 8263.5083 32875.4696 12249.4034 23967.5499 9494.1460 6-Hydroxycaproic acid 1149.4417 1544.6539 1287.5682 1892.0725 1133.1584 1610.4752 818.4425 1958.1682 2277.5759 1133.2279 4158.8886 1080.7151 1837.1107 1252.8201 2374.9479 936.8055 1670.8946 2195.1067 743.9117 1165.1939 1794.4093 2327.6326 1646.7220 791.4839 2195.8314 849.9172 904.0114 1638.4653 1096.9683 2134.0830 1518.3923 1259.7585 1881.3302 908.0927 895.3179 880.3281 1110.1004 2968.9903 1695.5740 1124.1057 821.7732 2658.6528 1533.1428 946.8064 2119.5254 1286.2406 1274.7399 1503.6564 1981.1983 2004.8435 1776.0513 1126.7531 1331.3614 1285.2598 1163.9473 931.5711 881.2430 1545.3175 1765.3916 2408.5119 8-Oxo-2-deoxyadenosine 2337.0709 1239.5233 1274.6782 971.6048 1125.0396 1767.3005 818.4425 1453.6554 870.4801 1340.3770 1615.5683 2868.7652 1698.9820 887.3343 1356.1330 1578.2585 630.0320 1045.1687 863.7803 909.6484 16261.4462 4347.5582 3566.5411 3925.5589 6524.0172 1347.9156 5193.3894 5625.9308 1725.9778 5136.2054 1892.6102 7388.9475 1686.5899 1233.7407 2673.1774 2331.4496 532.9286 3619.8894 5443.2537 1608.8706 4530.5479 3558.6436 1431.1092 1695.7353 281.5688 597.6291 2092.4976 22037.5105 1764.1210 1997.5112 9430.8984 5492.1518 3286.7240 2896.5545 4751.2168 1960.5365 643.2431 4112.4880 6519.4217 1285.5432 Abscisic acid 208.1215 129.6526 601.5335 397.5497 259.8029 299.1744 105.6476 300.9112 351.4361 243.7049 319.9145 170.4561 258.7610 235.9830 211.5385 228.3654 216.4443 384.9957 155.4659 201.6231 74.5083 571.6513 193.5192 197.8710 138.7088 249.6632 156.7547 183.5156 838.6793 272.2543 322.8078 154.6698 419.0393 156.3110 514.9798 460.9890 197.0830 221.3319 303.2567 125.3071 145.7332 524.2414 195.2712 140.2676 237.9662 226.5639 221.2756 136.9891 2268.9975 287.0048 290.5065 187.1765 345.3442 135.7873 626.3273 226.4103 215.0270 268.5237 240.0175 217.7696 Acetaminophen sulfate 195.7106 778611.7574 565.7280 291.9763 136.8605 45990.8283 716.7078 585336.5952 247.3569 585787.8821 386.5634 2156.7920 1335718.5030 67.1496 331.6008 102.5107 394.2870 196.9158 177.2602 171.1452 335.2876 296.7663 228682.7478 1411.0883 608494.4979 162482.2601 237.8040 155710.6687 1706.2263 234.4073 190191.1867 443.7422 165571.8344 207.4843 217.1957 432811.8928 401.2047 349.6782 653700.6556 1341415.7830 340.0441 308.6052 424998.0880 1269.0880 141.1539 267.5951 150.0826 187783.7960 80.5445 283.8624 24629.6720 382.9729 442.9932 1853.0978 1729.7924 274.4751 529.2972 253.8960 100515.7340 492794.5758 Acetominophen 298.8167 72821.1555 505.5746 296.9251 287.6390 5406.8538 142.1677 56340.7507 540.6708 53706.0022 378.5655 481.2197 113933.0912 234.0644 463.0977 181.6773 321.2198 506.1747 209.9516 181.3045 424.2836 490.9636 22056.6696 373.1042 50649.8836 16721.4573 248.4918 15898.1012 477.0748 423.6423 20711.1098 354.1404 18463.8125 300.5266 256.5071 40703.3425 326.7958 487.1921 59820.4671 118819.5322 149.7813 440.3111 41262.9153 344.8246 165.5417 243.5116 278.9997 18650.6574 468.5333 369.7543 3532.2953 193.3336 562.0774 397.1961 399.1829 285.8589 256.3783 267.4789 11341.8778 49591.2595 Acetylcarnitine 723089.5528 943741.0736 955534.5877 1060571.8000 747073.8164 1252305.5000 310732.9532 699979.2589 862210.5035 901410.1185 965126.0763 902281.1672 1384850.8530 598660.9505 990289.2582 565545.3411 520611.8839 761088.5395 495867.9877 768616.1457 1181834.8050 1173202.0620 1253461.9710 1007263.8660 1525493.9010 803103.3789 831809.7914 1499180.6810 639632.7747 933971.3949 1159270.9850 943579.3663 1433980.4580 747780.8192 799737.0346 1297925.4670 933611.4935 1570805.4360 949088.0958 466780.1090 776760.5800 915356.4774 525581.2268 926213.8207 1444950.2520 713227.5574 767677.2294 1512370.4910 1326627.8420 1032751.0110 1493693.4770 1108968.8960 900357.5491 861479.8957 1068666.2650 628496.1499 554399.2722 910864.8989 1228763.0820 880833.9382 Acetylenedicarboxylic acid 165542.5238 204877.8889 214416.6285 272276.9871 203731.9049 218466.0852 116971.4140 239579.1840 234334.8553 177862.4088 250457.0670 187257.0855 133341.0834 174655.2096 182068.2888 166035.8406 274602.9820 223103.1169 122281.2088 132970.4299 312682.5469 206935.0198 156411.4577 139808.4191 129206.8875 126399.9542 171824.5025 158502.9298 233558.5214 206302.8250 222945.4189 203087.7868 172294.7208 157721.5545 174470.0328 140362.1635 185448.0966 258300.8502 171761.1387 146987.1161 123747.7156 217467.2129 175026.3251 137253.5372 124001.1062 152122.4824 167420.0091 146233.4028 143916.3243 176511.0692 246480.2676 229488.2100 197154.6150 137976.6370 220994.0801 119518.1010 133862.5624 172488.3630 164018.2488 197865.2718 Aconitic Acid 5090.2163 4965.8619 4672.4639 3791.7899 2859.7607 4521.3061 5253.5309 4549.7385 5188.6151 5062.0587 7254.6967 5306.5041 4675.2052 5479.4619 5229.2136 4849.6028 5244.1620 5116.6491 5078.0068 4260.5791 6030.1239 5857.5864 7654.2021 9131.8687 8482.2445 6497.0830 4644.1165 7200.5450 7126.0914 5785.2757 98286.7141 9292.2751 5903.3981 8818.4849 4757.9054 5014.7603 3915.0290 8336.6852 5368.0938 5525.8556 3671.9723 6269.8309 4215.1901 5311.3980 112390.1366 5394.3317 58779.9644 9088.1068 7997.7588 5116.9116 11510.4479 3220.3257 5210.8311 4103.9290 5647.1875 7826.1753 4199.8099 6247.0709 7233.0188 4487.8403 Adipic Acid 7142.6278 8767.3931 7987.4018 8228.1984 8531.3890 7978.0215 5272.4911 80430.2319 11342.8596 6471.3651 12496.0790 9217.0603 11368.7806 7140.4666 8798.4020 9649.7838 14420.9716 9617.5807 14417.5077 7636.1165 10714.3437 9375.3071 7655.0381 10966.3978 9854.5448 11066.0267 7341.4951 10754.6988 8924.8691 11428.4667 9902.4061 7262.6128 9962.9859 9313.6711 12919.3311 6461.9760 6788.6476 6256.1117 8587.5773 5704.2715 6006.7508 9558.9265 8266.3375 5402.1896 8515.1750 5493.1005 7831.0168 7379.6274 7222.2766 9449.4677 10842.2570 8537.6121 9763.5630 10390.3251 11970.0801 5098.1355 6726.0336 6971.7046 6449.0044 9970.9093 Alanine 9032.5751 11557.0117 9647.2815 11375.4512 5027.9126 19072.7714 5960.1710 14998.6329 8345.5536 5430.1070 7217.4504 10813.0942 10350.0074 8756.1587 9689.1841 14837.3090 16007.5536 22841.2228 3941.2731 8988.6218 11520.9571 14945.7129 5491.3707 10174.2411 8611.5261 6674.4423 9614.1766 7526.4202 8754.9993 9379.1829 10705.2245 10642.1129 10430.8006 9785.2639 6181.4188 8269.8023 10286.8088 5320.2501 12317.4289 8632.6575 9269.8421 15987.9780 7085.2136 14640.4889 7066.4136 9633.2266 6715.7986 8780.1604 6284.9057 11429.2049 13481.1085 12914.5210 15030.7384 7339.9752 8101.4703 6764.1574 12604.5233 6584.9168 13394.2671 7736.9491 Allantoin 2996.7588 2580.7568 3580.5568 4869.5711 5944.1523 3185.9663 1349.9411 2829.4632 4525.4150 1983.3831 4785.3878 2764.4043 2743.2344 2365.5853 3238.2535 4221.2072 4140.0136 3979.9720 2764.2421 2317.1026 3559.8431 1883.1669 1488.4703 3949.8735 2194.2640 1979.3775 2639.8913 2446.8752 6811.2309 3015.5520 1910.5440 3626.7391 1976.9616 1943.6533 2170.9738 2190.4078 2458.5103 2386.1934 2097.1843 1553.9916 2156.9861 3332.6775 2243.8596 3543.4273 2059.6644 2207.6599 2488.8695 1941.2155 1722.8665 2432.2082 3569.2689 3207.8600 2101.8362 2315.6461 2223.0587 1956.7419 1949.0266 2589.1121 2307.5363 3411.0549 alpha-Hydroxyhippuric acid 145.1122 209.0089 216.2656 258.9846 129.9015 115.8095 45.6502 125.7539 274.3905 125.6018 190.6157 277.1362 127.0783 107.4394 144.0748 143.1090 159.9206 179.2439 242.6431 88.3078 4064.8441 1159.7136 32.5546 1210.7021 124.6029 68.3918 93.5184 277.6262 343.3723 180.6889 153.0348 273.0721 81.7214 163.7544 45.2081 144.8282 98.5415 297.2919 74.7897 100.6116 109.9746 776.0322 1258.7076 865.8186 48.0367 92.7663 14.4310 119.2611 161.0890 85.8919 207.3160 235.2020 260.7944 39.9375 188.1670 74.6269 168.1621 176.5779 175.8023 48.1702 alpha-ketoglutarate 3042.5106 3889.7957 4134.5001 3358.9092 1979.7302 6670.5726 6232.1135 1465.5414 5570.9535 3616.6925 7124.5048 5998.2237 8989.2126 4894.6789 4507.3495 3498.2343 2781.8290 4418.4643 4126.7872 3056.3299 3651.4337 9144.4050 7585.5706 12576.5161 13224.5921 13548.2001 12293.4056 15351.5670 10699.5410 3895.1871 2238.8670 6091.8070 10283.8341 23812.1638 7556.2018 11008.0112 4449.7198 7904.0186 7111.1926 5064.6383 3630.0215 4757.5543 13831.4923 11411.0508 5220.2242 32260.6569 7679.2450 7580.5635 12984.2451 7155.6052 4663.4884 4739.3707 7536.9725 4273.6926 7352.3244 9524.7806 4436.2900 4475.5549 15386.6598 5304.8389 aminomalonate 13514.4076 19121.7896 11483.5282 15439.0727 5643.4024 15504.0339 1663.4479 11560.3958 16310.6714 11673.1737 6855.9424 19530.8630 10023.7768 11849.6672 9934.3469 8769.8651 5517.5562 31018.1301 8587.9660 9524.3286 4227.2002 8889.1295 9463.3737 12801.4695 10775.6682 5118.4246 12052.1693 6077.9426 16618.3946 20574.9805 7299.3338 17294.5024 11886.6098 9871.0217 13295.2409 5900.5334 13753.5886 13317.6202 6366.0261 13171.5564 12098.7117 8651.9714 5124.4199 15448.4711 6882.2334 13623.7047 12246.4015 5350.9860 15660.2664 15876.6613 12248.2153 6191.7431 12515.9302 4885.8730 15843.0798 14102.3292 21942.9400 19013.7504 14468.2579 3383.9820 Arabitol 10539.8440 9551.7260 14433.4752 7719.2907 8243.0297 8366.2968 9570.1574 8727.8986 7934.3577 9031.0105 9707.8234 10366.6258 9702.5310 10875.8285 8695.8263 6464.1712 7365.8332 9227.2598 7090.1418 9630.8816 9640.7458 14190.2611 11155.5841 11368.3654 12720.2134 8478.4630 8378.9850 9763.3108 12956.6494 8936.1138 10015.9669 14622.5983 8643.5257 7491.1766 12756.3807 10082.9895 10170.4918 12090.7670 10592.1284 10546.2074 7802.1468 10910.0817 9020.6067 15354.0209 18256.1975 11303.5485 7872.8898 9575.9350 7982.7441 6653.0938 12964.0204 10480.9916 7477.4323 5702.2027 9614.2748 8049.6429 13042.4207 10575.8055 11182.4614 8334.5499 arachidic acid 3890.5725 14802.8934 6567.6969 5697.4286 9585.2912 4372.7532 9551.2543 8937.4323 7166.0095 641.9771 8005.1869 10991.8586 3177.6612 7882.1275 9914.8007 6396.5690 7058.8257 5860.9779 12759.0109 7085.9337 9444.8874 7432.6737 8093.1922 8943.6353 7923.4634 6908.9998 6103.2803 6025.5379 10894.4325 8041.3604 15264.3588 4348.4014 6367.6543 5212.9722 4459.0377 5092.5145 5870.7143 5671.0582 4245.7163 5824.2369 5235.4314 4173.5462 5294.6699 4688.9695 1194.5998 8558.2665 8790.9937 3853.6277 5177.8636 2715.6627 10315.9017 4258.4401 6074.5454 7637.5294 3598.2012 5058.9277 5836.1990 7401.0491 10118.0873 5562.5025 Arachidonic Acid 7714.3218 15044.2693 6638.3712 9775.2257 10957.4832 8540.7064 9480.6722 14334.6255 11022.9155 16112.5096 9387.6090 10508.4312 7008.5101 12218.3606 11686.4375 5820.0210 7529.4269 10376.6051 26069.9415 11487.3731 10039.3942 8809.3840 7837.1353 9354.0597 6708.7747 10712.6986 5007.5317 6041.0596 4931.0110 7729.6138 14396.7517 6934.8165 16888.2536 8189.3045 8871.9521 11694.4037 23207.8007 10880.9113 10244.3766 10454.3799 7279.7399 12635.7267 5589.9963 6768.7062 6110.8683 9589.4607 5695.1382 8444.7549 6323.2889 6550.2286 14443.5577 3565.0803 14380.4841 11677.8046 8193.8646 8771.6763 12045.1154 8650.9752 10147.0050 12489.0988 Arginine 14136.9878 8023.9295 9234.9720 16748.2234 7054.1140 14794.6574 4310.0292 11985.5463 7336.9034 7234.2867 5113.3002 6442.5463 3335.3458 6509.6763 7746.8812 13193.4292 13977.8882 14171.6287 5226.9966 6136.2191 11826.1300 1255.4446 1282.2909 695.0637 1039.1408 2735.6710 786.4453 630.5409 1832.3320 15893.3020 7864.5547 2338.1800 630.2978 805.7462 1046.6669 355.9176 9142.2395 2115.0946 4606.2241 4108.6111 5344.2248 2653.4879 978.1152 625.3598 2273.9818 2026.5872 1050.5781 1766.3530 1139.4100 11893.9381 9413.7321 1608.2400 1648.1254 3441.1561 1567.1623 753.8579 9458.4302 7381.7906 1337.9921 7101.0958 asparagine 10690.2300 6236.9753 5615.4829 7780.5983 2823.1655 4877.4939 5747.4259 6801.3366 5033.7229 6158.9978 3132.5526 6089.1824 4361.1625 6134.7156 6409.1930 5916.0423 4511.6971 9158.7358 4110.0676 7020.2846 5197.6880 6225.5568 4015.3655 8995.8152 6007.8786 2501.9527 4860.4305 2199.9915 5637.2354 6794.2731 5695.8073 5306.0609 2522.9235 1742.1270 4253.3588 5325.9422 5204.6543 5354.4968 2090.7477 6153.5258 4597.9592 4131.3164 3288.6805 6562.1736 2545.6588 5388.4288 7498.4975 5408.8452 5151.4729 6546.2421 5810.7996 5238.5040 4866.5392 2084.7794 4107.9464 4975.8972 8151.2084 9826.2073 5961.7799 2595.8345 Aspartic Acid 12161.1421 12067.6022 17411.8677 9013.6404 11225.7089 12156.8311 5601.0919 10433.8158 5585.2256 6338.4034 9626.4565 9773.3135 10521.3104 9775.2139 7975.7856 12648.7346 7922.9202 8824.7188 6208.9221 11529.6755 10047.4984 8952.0196 16523.4086 8274.5451 10384.3564 10911.7253 15283.3704 11115.9292 12756.7962 9900.9841 9067.9396 17211.0052 11008.3208 8937.2240 12414.8926 8969.6914 3653.6172 14374.5843 8062.0406 4444.3897 6702.5617 13712.5725 12739.3017 6399.1530 4860.7220 14072.7567 6895.6036 15550.0475 6644.2931 9311.8260 11706.6708 9435.4217 9120.4155 11330.2767 9150.4269 11139.5624 3282.9704 11447.4317 10827.2692 6573.9980 behenic acid 5290.5318 10446.4509 3831.4252 3181.2746 5936.2619 2785.5687 5063.0469 3844.5772 4044.3967 3013.5943 3109.2434 4105.2712 3575.4936 5090.1195 5302.8791 2926.6605 4435.2099 3875.9893 8467.9784 4713.1880 4102.9947 3448.1986 4281.0736 4126.8505 3466.2002 4960.2329 3128.3533 3491.9700 6174.1614 4912.8575 8953.4448 2715.2227 3373.5533 3043.8229 3300.8461 3032.5649 3539.0052 2855.0638 1558.6315 3299.6886 3268.9573 3438.1286 4156.8499 2475.0926 5615.8001 6125.0049 4399.5359 2132.8128 2351.9429 3599.0836 5884.0533 1822.1716 2857.7975 4499.8417 3862.0693 3063.2311 3433.5736 5539.0142 6578.6171 4025.6149 beta-alanine 1752.7287 2203.4309 2675.0119 2606.9899 2683.5692 1754.0987 1506.4091 2345.4587 857.2203 2104.2057 4187.5468 4554.0010 3416.5605 3198.2933 10042.8282 8588.7824 1121.1138 6321.7242 4479.8655 4317.2093 2625.1587 4876.9500 3941.9983 2742.3438 3061.9110 1396.5516 938.8920 1166.0056 6871.8728 2422.6044 1769.4435 561.2472 1506.2230 1597.7234 2204.5578 3450.5402 2075.0713 2363.1914 2952.1235 4322.5240 1406.5186 19363.9361 2409.9366 1675.5542 2810.3601 3859.1470 4365.2040 3503.4793 3585.9740 1750.2322 3503.3083 2911.4509 1087.6986 948.7745 3679.1607 2658.9518 2699.5463 7452.0638 4383.4601 1815.7706 beta-Hydroxyisovaleric acid 4798.2510 5020.6841 6281.7288 9970.0839 6811.7086 6254.9167 2206.8602 6614.0574 12254.3047 5477.7366 13015.1884 3695.5355 5048.1407 4237.1412 6459.3553 5610.6836 6338.9220 9987.1672 3313.4582 4069.1916 6273.1887 6935.0324 5145.4410 3732.7185 4459.8417 3514.5405 7942.8308 4684.8249 7072.5585 5519.5590 4280.1924 4546.2241 5285.8075 3615.6231 7331.5821 7293.4710 4795.3520 8267.8589 9941.9037 4750.6959 4279.5630 8537.6457 3470.9016 3994.2875 3265.7541 3077.3441 4334.1157 4025.8667 6717.6078 5125.2346 4978.2256 4808.7114 5034.8801 5365.4152 6705.4655 4269.5426 3282.3776 5089.4129 7577.3934 11756.5486 butylamine 1172.5290 1727.1294 1554.0647 1440.2534 2105.6598 1753.0992 1550.0310 1702.5562 2815.3229 1896.5351 10765.8058 1975.8260 1849.2209 2110.3730 2320.1318 1909.9671 1178.7411 1129.9009 5213.5602 2530.0952 1997.8153 1599.9246 1256.1649 2035.0162 1345.9503 1380.0531 1720.4978 2166.7347 1940.1445 2139.2646 1269.6693 1516.8842 2882.0998 2511.5923 1271.0154 2137.7588 1817.4349 1721.0525 2271.1779 2049.5563 1029.1351 1224.6660 1309.1275 845.2262 2353.7750 1211.2148 1230.9007 2371.2330 1828.3506 1413.8886 2448.0592 1628.6497 2012.6862 8589.4595 2088.9557 2341.6568 1610.1873 751.4851 1623.3587 2426.0797 Caffeine 197069.1141 2509.2244 147755.2550 31942.5389 252776.6704 243295.1490 54134.5927 83756.6025 407410.3519 103022.5038 75030.6152 618233.9833 33537.6293 12270.1546 209979.9302 154560.7340 73356.6851 74946.6718 78495.7587 575191.6102 29325.2426 55915.1514 50537.4540 353512.4239 69870.0693 90151.6489 1921.1355 65036.0610 136640.9194 323400.2498 89794.3718 24733.2936 317738.7566 8161.6690 103815.5957 188108.1308 47195.3535 157232.0708 58715.0143 170059.1807 46276.3588 152618.8097 135822.5534 865041.2743 43528.6081 225032.3449 256382.4230 62611.2522 100428.1875 334814.0955 351493.0972 21595.4858 240407.1883 92766.7146 213706.6409 527695.4807 12868.5374 199155.8000 195319.4734 142403.2646 Canrenone 123199.3429 116660.4904 135327.8586 107853.0818 87344.8234 24041.3183 41884.0407 77138.0539 53833.2446 22490.2144 48295.0935 130497.5101 305470.5254 90701.8733 163171.6159 70612.6054 103916.6858 109146.9131 83607.2456 66860.7184 170679.9904 86196.2570 22015.9764 61387.7926 48048.8970 12517.6870 25747.8465 43872.4726 90165.6255 48726.1927 63100.5573 57316.3440 91716.5845 34300.0372 81306.8524 23168.7212 19470.9994 31172.4341 24692.8856 22798.5841 76706.9323 86392.6588 73577.6598 81249.1847 22158.2047 23675.9256 68083.6175 20518.5436 31037.1357 66629.0975 109229.1358 99821.7068 57346.1886 19222.2589 128573.1687 22649.8887 18377.4550 57333.4743 63403.5602 25960.7474 Capric Acid 7172.5897 9530.1424 7781.9143 6029.0020 9544.8360 4421.2405 8505.8455 11442.4207 8614.3163 6579.8693 26840.4455 6616.4492 11078.3561 10228.8330 26697.8709 5809.3831 10455.7923 6750.3287 11042.3702 14253.7065 4385.1835 12819.4049 13693.9638 13023.6383 10599.4223 8265.5185 11883.6347 7233.6643 7903.7315 11110.2995 7385.8705 7102.0251 9916.7398 6379.2684 9051.6215 7991.6659 12839.0449 14982.5346 7242.2337 7336.5363 7385.2354 16040.5637 14417.9220 5179.0707 8240.0875 9080.1508 33356.3716 7046.2001 11221.6218 7859.9821 7687.4532 7057.8211 12782.8315 6528.9287 5139.1893 5902.8042 7280.1695 9919.3538 10587.8725 6744.6561 CAR 10:0 1798.2582 4301.5662 2574.2632 5838.8586 2736.1599 5674.4986 1289.1482 11007.1115 2076.7315 5800.3148 2511.2399 1828.4952 4474.2022 1715.7886 3863.8215 1417.9608 1156.9452 1260.2236 5392.2409 3170.7820 4421.4993 4404.2751 16836.7161 3623.1540 11194.9959 3910.0139 1967.8579 5697.7021 1866.4998 2929.6383 5410.2235 1177.6270 7666.0663 2005.0735 2962.1662 12903.5799 4592.6496 30189.1949 3433.0202 4957.6848 1738.0815 2963.8841 3105.6065 2657.4499 8709.9564 2768.3229 3228.1904 6833.7454 5608.5059 2012.5083 4216.5447 2140.2200 9949.1157 2028.4587 6429.8200 4919.6418 3057.3195 9617.2017 5854.6292 10938.0773 CAR 10:1 2680.0128 4742.6907 2913.8758 5127.0716 2317.8305 5647.7216 1257.4078 7053.6150 2849.6308 6158.4830 2055.5655 1722.4074 4018.4899 2641.6446 2115.5599 2116.8439 1451.3465 2430.4312 5112.6506 3277.3051 3933.8887 3814.2609 6310.8775 3095.7947 6589.5824 3062.9721 2196.2575 4065.7145 2116.1784 2489.9107 2447.1260 1676.2533 5258.4762 2497.5961 2299.8846 8766.3475 3275.7637 8153.9498 2371.8216 4716.1027 1759.3839 2731.3256 2230.9663 2507.5865 5121.4251 2466.6996 2908.3016 3879.3348 3816.7033 1627.8762 2093.3041 1932.3129 5022.2881 2551.2915 3607.8219 4287.1275 2839.5645 3643.3925 3920.8794 8264.4884 CAR 12:0 1049.4183 2361.1006 1959.0793 3247.7579 3366.3990 2703.3642 781.3019 4559.9924 1371.7221 2721.0733 2109.4702 1252.1071 3284.9560 1030.2611 3335.7485 972.9548 571.5860 930.1650 3147.6144 1663.9948 2939.5039 2560.3125 7909.9309 1501.2873 4714.0500 2178.5185 1474.8489 2526.2353 1415.8603 1256.2304 2548.0769 1089.8007 3831.0630 1753.7489 1520.4793 5454.4773 2490.1261 11337.8064 1577.7820 2484.8444 1438.8798 3166.7543 1955.0208 1355.4522 5279.8323 2485.9815 2047.5322 3287.4903 5295.7224 1809.8410 2194.3395 1925.1788 3463.9823 1401.7212 3050.3902 2386.4803 2900.8081 4887.1023 2423.0654 6645.3933 CAR 12:1 1535.9036 2660.0047 1437.0463 3293.0869 2469.3514 2702.2485 1085.6841 3858.8020 1369.1109 3198.3916 1428.8337 1146.0192 2671.1972 1047.0053 1775.7109 1200.8671 808.3122 1329.9418 3504.2650 2450.8916 3755.0272 2278.0733 5952.7852 2122.7545 3903.9318 2397.2338 1252.0200 3575.2455 1097.6724 1495.8256 1928.3502 764.9381 2959.2474 1973.7730 1767.5039 4719.7798 2728.4656 7233.8582 1302.6141 2822.4592 983.7832 1399.3095 1511.3627 1447.0884 3558.0684 1442.0070 1476.1279 3646.2325 4670.9002 1261.7675 1722.0925 1555.2265 3097.1661 1465.2553 3977.5075 1743.1007 1639.9676 2445.8600 1919.1338 6290.2211 CAR 14:1 534.2651 1852.4817 1162.4453 2823.8710 2478.1352 1980.3844 573.7686 3457.4776 940.0126 1757.1056 1066.5941 1173.0479 1688.8997 740.6848 1853.4841 1234.0442 470.8698 776.6084 1543.1807 1310.0630 3158.8221 1655.8032 4025.9459 2199.1062 4708.6182 1613.5043 784.0793 1822.2407 2093.3419 878.5157 2238.6809 933.0356 2777.0035 1529.1217 2646.9968 3511.9580 2351.2953 7394.6994 790.6072 2483.3439 820.1421 1245.9199 1586.4433 2334.8141 2952.4656 2173.3400 1192.8676 4114.0409 3730.3155 1185.4949 1993.0171 1698.9270 2762.1701 1491.0661 4544.6169 2311.1995 1221.9557 3573.3569 1327.5068 5706.0242 CAR 14:2 712.3535 2028.4494 974.2029 2308.1011 2156.4278 2109.8067 547.7252 3607.4106 876.4747 3483.3471 708.6670 857.4872 1619.4443 764.3237 933.2776 794.8082 421.8029 752.7806 2179.4217 889.9838 1930.2139 2314.3612 5183.9636 2785.9489 4071.5425 2999.6598 1291.0151 2078.8206 1581.8053 1195.1571 1258.1480 1066.1915 3214.3889 2093.4514 1609.9192 4768.7596 2005.4222 6240.8386 902.1618 2868.9750 770.7593 1402.2784 1155.4611 1724.8606 3286.3392 1656.8619 1264.9036 2177.0467 4128.7421 974.1107 773.8564 964.1181 2959.2785 1217.0752 2076.8202 1934.0192 1312.3629 1814.0000 1519.4202 5355.7510 CAR 16:0 4186.3799 7810.0726 8514.5720 8199.6393 7105.0124 6892.8534 4596.6596 6754.8763 3679.1049 5072.4941 16815.3885 8119.4379 17744.4322 5042.9606 6494.3834 6006.4994 1870.5670 5151.2080 6680.5301 4894.9108 5875.8138 59341.4586 13064.3857 21670.5626 42309.2781 18670.4124 45026.7613 33412.9824 58391.2985 6199.4078 5287.7737 16345.1224 32667.9635 39786.6236 43172.8803 49168.4546 4961.7949 41663.8662 8217.8529 11604.9437 4150.0933 12991.6094 19968.5138 22004.1435 16972.7173 52895.6257 13364.5127 24515.8346 25657.9278 10328.4060 5337.6636 26547.8999 14089.2772 15225.0220 41871.2510 39071.5330 5044.3341 15738.0087 36356.1479 12892.7488 CAR 18:0 2209.1646 3225.2707 3160.3374 2763.8408 2194.8570 2336.2957 2364.2521 2775.4515 1715.5230 1885.5868 4173.6605 3645.5033 3562.7775 2348.1285 2734.4772 2489.0045 958.0953 2292.7597 2624.0000 1480.1564 2023.9032 9772.1954 3630.3696 3919.6827 8330.8710 4626.5940 7005.1842 4138.4413 6846.3699 3042.3890 2583.5967 3598.0423 5901.7481 7239.6226 5966.9229 8232.7800 1882.6412 11202.9396 3458.1915 3728.7671 1923.0250 3948.5467 4716.4266 3844.9024 5004.4476 8028.1363 3686.0464 4763.6263 4527.1687 4310.4942 2802.0489 5785.7280 3328.7464 2827.9295 5913.0343 11427.9422 2111.4461 5532.0459 7741.9893 4119.9969 CAR 18:1 5313.1146 11539.1412 9435.4072 11328.5619 5626.0367 9188.9836 5578.9840 8964.4153 4502.4863 7472.7233 16988.6023 10899.3453 24787.0660 9090.1335 8741.3080 8119.0158 1912.7472 6758.2578 9953.6144 5106.2390 6573.1607 75802.7224 17672.5305 64108.7848 41298.1823 32253.7777 71064.3205 55806.9939 47484.6065 8211.0678 7966.7129 19544.6413 40631.5307 57793.6197 56681.5082 69339.8076 8523.2450 61757.0286 11190.9250 15249.6823 4516.1071 20037.6377 23325.6891 72347.7378 18872.3846 64183.7720 22997.8039 42297.9011 35875.5219 10605.1668 6239.4982 30570.4942 16984.0314 17172.0777 49340.4488 49695.4448 5406.9351 19446.8191 43238.9753 16304.8509 CAR 18:2 5615.4305 11091.9904 10708.4691 9102.5429 5581.0196 10537.8764 5371.4507 7108.8535 4625.2101 7131.0639 18101.9138 8442.4315 24034.3965 9621.0233 6332.3016 8524.3536 2501.5497 8439.4384 8260.2650 3711.1293 4423.6286 81052.3711 13262.9714 59432.6878 39822.2772 36721.1316 111672.1058 44793.8413 74946.2075 6840.2075 3684.7099 25256.1794 40223.6984 43167.9987 74267.1074 65311.9981 4601.4769 53431.2485 9998.7214 21631.3510 3988.3888 20015.8663 17118.3763 62288.7553 19189.1989 74905.8583 24867.0775 23783.9149 31326.7562 8624.2572 2391.1715 28314.0909 17208.5406 23973.5361 31914.9012 62742.3132 3028.1559 16355.2459 43086.4614 15887.2174 CAR 8:0 711.4848 2144.1542 1141.0982 2341.1789 1040.8827 2765.8439 539.5866 3729.1607 1029.6619 2282.5147 1062.2818 766.9409 1720.7925 896.3075 1453.5080 886.4058 510.4676 841.9141 2058.8915 1475.8611 1814.1668 2057.6580 5436.7815 1316.6227 4460.3061 1083.0240 1061.2227 2164.3472 811.4554 1202.6738 1914.3292 651.6140 3010.4727 1334.8745 1266.0013 5018.8694 1454.9141 8559.5493 1454.2139 1944.6609 704.9155 1177.6367 1326.0989 1268.5887 3564.1610 1205.1157 1312.5207 2418.7032 1604.1325 983.9171 1579.8945 1003.8651 3589.4953 1107.2142 2193.9196 1668.5960 1145.1581 3572.5872 2420.5235 3766.0495 CAR 8:1 2309.9365 4218.4034 1634.9919 2041.0278 2113.6067 4722.7984 874.0815 3111.3916 4164.7780 2820.1258 3252.2497 646.6630 5494.7710 1811.3290 2544.2925 1614.1385 1165.5535 3268.8152 4316.3614 1481.8745 2218.7345 3325.0463 2335.1762 1582.9658 3995.4969 1696.9614 3361.9313 2623.3982 1463.0557 2057.6998 1603.9985 1308.8941 3090.2660 1077.1056 1439.5574 2490.6765 2814.3320 1994.0313 1167.6044 3017.5254 1634.4745 3447.8037 2994.4483 4648.6283 4471.9558 3484.5059 2700.7402 2367.9126 1678.6047 2246.7743 1024.5740 2247.2310 1919.8187 1948.3793 1982.9472 1937.8996 4116.9310 1114.4133 1009.7694 3882.3990 Carnitine 310448.5585 318706.1412 310673.4518 357905.2276 330959.9603 452907.8429 118811.1163 302667.2314 484864.1541 293298.8661 337381.8369 188937.2961 340574.5332 268256.0281 178240.0145 312796.6282 233344.8442 256000.6842 219952.3081 209161.2960 507234.1831 286776.1012 156989.3025 310182.0345 220442.8193 257254.0058 332649.4581 255653.2869 298850.9233 418807.6759 308406.9925 477476.1966 277063.2508 154583.2383 325161.5630 300123.7293 200853.7556 399612.7416 227873.8822 102615.5799 227206.8079 176755.8652 182662.1326 203994.2073 171715.5553 254390.2071 236224.2154 204135.4547 133705.8355 372611.7843 419367.3076 280928.4922 196413.9113 332503.2545 309032.0443 217493.0678 175078.8228 224448.2282 398483.7281 380768.6672 Catechol 74686.9822 36255.7771 66246.0289 21810.7957 42313.0855 60938.6919 59047.8564 18024.7287 92911.5817 54081.8701 38697.6583 78244.0065 70555.1790 23142.6378 20785.6541 69895.0306 79164.8361 16660.8469 30974.7679 110309.7135 5768.1877 28865.6533 8911.8314 45267.1773 26839.7676 48222.1781 24667.4861 39630.9085 41794.1870 70142.7163 10936.0112 44758.2267 43179.3094 15565.0433 63438.8237 32883.5678 29559.4386 88311.4194 37855.8677 41205.9300 21836.3637 59120.4848 14074.4795 122948.7447 26836.2368 63072.1733 70804.3454 44137.8748 2340.7018 89776.9740 24781.5277 30906.2840 54463.1601 26537.3480 103060.4113 109813.4452 17101.9959 47894.3949 42059.9021 39316.9493 CE 16:0 2206.5584 2398.4636 2630.5418 2783.4425 2728.4741 2162.2450 2142.0694 3030.2249 1933.9889 2189.9221 1003.3460 2419.7493 1554.9500 2980.4685 1330.6395 2002.8877 1862.8196 1869.1551 1916.6265 2852.0716 2682.9228 3357.3022 2046.4693 2053.5053 1681.5385 2132.4732 1914.9360 1747.7685 2304.9597 2487.0919 2334.9582 2274.9827 2972.0537 1460.9971 3581.8573 1891.4551 3108.8458 3015.0233 1181.9063 3103.0545 2240.6243 2398.8164 1985.2480 2121.9509 1882.6081 2247.7129 1553.0477 1832.7397 1336.0323 2423.2910 2894.8518 2140.2200 3008.7766 1316.3473 2504.5717 2383.3759 3790.2985 2662.8936 1548.6521 2671.1395 CE 16:1 4366.2057 2785.3515 3276.7760 3411.9222 4209.6457 3086.0525 3069.0516 2671.7385 2305.6420 1566.8961 752.5095 1706.8659 1513.8438 2836.6653 1033.2716 1919.9449 2913.0228 1842.6798 1704.2169 5497.9693 3264.2227 2407.0970 2652.5943 1979.8171 1434.7784 1323.8026 4684.9780 1714.6051 4780.4317 2591.3863 2524.7086 3666.0368 2508.0705 1901.0453 5522.9174 1896.6658 3198.7246 2310.7187 748.2737 3665.7457 4329.2271 1506.1875 2503.9867 2054.1782 2636.8699 2243.5811 2163.5224 2119.3058 3928.4117 2936.4969 2713.7364 2932.1013 3163.4582 1500.3314 3469.4318 1182.7629 1923.8268 1326.0594 880.7681 3232.0665 CE 18:1 35152.9075 32948.1410 36946.9354 41733.2605 33679.3617 33544.9224 33466.5792 33807.0738 27534.5356 24102.7806 10512.1334 33310.2371 26144.2808 42400.2672 17593.7205 31813.9637 26045.0408 23906.3000 24783.7588 37942.8605 34707.6514 47008.9506 31883.7685 35422.7449 20042.6664 30636.4363 36858.6887 24806.7932 32165.9111 39924.0737 34009.2554 30769.4001 37797.3913 17357.9709 60110.0399 26220.8831 46803.6170 45848.7345 21311.4983 38527.0926 45168.8177 33581.4499 25686.3401 36520.8455 24904.0416 28268.5705 22577.7973 25900.5475 29015.1373 36762.3264 44340.3276 29947.7922 39624.1033 14561.2230 35520.7876 32572.5457 41399.7027 36784.8729 22767.1551 40628.0191 CE 18:2 184147.7219 203589.7896 158732.9691 244646.4616 165964.7884 200335.6854 156953.7883 117272.4088 144412.0462 112115.9718 76014.2385 154254.4538 72973.5078 190798.2478 51491.0426 129589.7922 101274.8878 121530.3839 93003.8065 143330.3412 175798.5132 277271.7655 143232.9131 144671.3588 117678.9845 188675.4383 235390.9001 57602.4712 126019.1826 261919.8134 119153.9089 179080.5149 214110.0214 43075.9384 217313.5420 86776.6271 164250.4177 300850.9764 42536.6133 263707.1155 178723.1970 153156.1124 110803.3612 141254.3451 200332.6536 194819.6881 184747.9664 39133.3775 52561.7765 233835.5924 104037.2899 152220.5968 201405.0681 44000.0159 96570.2057 143791.0646 171011.5786 193335.3073 42143.4168 260741.6690 CE 18:3 11348.1387 7205.0330 4432.4290 5579.1360 4716.9113 5637.6802 4783.0327 3512.7161 4065.5545 2278.2080 1020.5955 3289.3994 2264.3871 4114.1497 1269.2052 3221.0646 3395.9441 5614.5255 1777.3253 4572.7641 2462.5398 6261.6777 4513.2384 4912.2546 1381.2361 3559.8777 9028.7493 1428.3528 6911.8344 3311.1114 3725.8381 5123.1967 5370.7779 1745.4634 11488.7755 4373.7946 10108.1625 5683.3889 1124.1268 7247.4629 7509.0932 2390.8995 2896.9410 3491.7212 4263.5895 5944.3191 3997.3885 1333.3877 2452.3715 5189.8088 3130.6011 3781.0553 6649.5378 1628.7233 4774.9446 3751.6246 4748.8094 2980.7476 1194.6926 6548.6395 CE 20:3 2159.6473 2480.4212 1677.6860 2702.5854 3271.9729 2079.6825 2155.0911 1891.6359 1565.8173 1017.0828 436.2686 927.7620 1114.8297 2634.7499 824.1338 594.3030 1560.6709 1052.8338 1172.6988 2884.7158 1887.6278 3392.2461 1851.8713 2107.6618 720.8811 1810.1561 4464.9345 900.0659 3828.9126 1690.3205 2626.5943 3328.8974 2110.0892 648.1046 4898.9672 1024.4079 1632.2644 2295.7335 282.6049 3908.8283 3536.1971 1250.8679 1773.6572 1817.4514 1919.1636 1930.9396 1543.2801 921.1816 1076.8689 2112.7523 2953.9762 2103.5305 2557.9905 376.5719 2123.2729 1298.4005 2093.9479 1504.6118 478.5125 3235.7407 CE 20:4 29245.5858 45963.7233 34785.0589 51176.3831 47463.3712 33257.0693 28597.2778 61665.3020 28441.4737 26543.9229 16691.7671 30137.0613 21641.0208 43026.6975 19753.7223 16606.5861 20140.6604 27022.4410 36768.6021 35975.6184 42157.0207 56540.5707 25396.6362 34014.6777 19318.6815 35251.5189 40560.4341 16875.5081 33746.1939 31519.4506 41382.4141 28455.6983 54054.5351 23191.8326 55421.8955 43449.2778 37916.0416 54330.3608 18312.6828 66077.9553 36087.2206 28761.0562 28460.4219 38555.9329 30486.0661 59010.7269 28048.8718 17857.9851 16145.5860 37280.9804 39486.1372 29075.3977 43659.9652 13069.4951 40762.1941 36311.7529 47134.2425 36232.2840 20035.2490 52765.1086 CE 20:5 11755.5701 6548.1673 6679.6939 2686.6590 3060.0633 6164.2951 3765.7125 5243.1458 4867.1763 2712.4600 1797.5417 5050.3228 3455.0508 3932.9183 2331.8869 2266.8621 1446.1815 4262.5209 2707.9759 4114.0273 2516.8371 23499.7713 4247.6600 7118.4633 1294.3268 2610.1933 3111.2488 4473.5660 6604.3034 5515.3871 4437.1684 4684.0656 7145.9323 3220.2695 10167.4066 6353.8303 11525.3596 3232.8083 3026.2751 3637.2360 6819.6704 22067.3293 3072.4541 4437.6741 1837.5230 4387.9983 1554.2687 3260.7584 1734.4589 7140.2094 3853.5656 3808.5724 10387.5273 2532.7607 8380.8310 4824.1826 6524.8739 3005.3755 5548.3303 3550.4967 CE 22:6 6181.8384 6803.6820 5308.6294 10967.1554 8986.9458 10057.0056 4048.1205 10852.6693 5708.8358 7933.5329 3019.3814 12264.2974 6365.0895 14772.3288 3174.3202 4817.8934 5791.6127 4656.1201 11437.5180 9540.6948 7191.7235 20612.8678 4507.6557 9355.7454 5166.4437 5787.3194 6992.6500 6246.9343 5763.9218 16267.1033 8473.3372 4337.4825 8075.8689 4136.2696 5790.1725 6873.8502 7776.9294 11029.1112 3422.7228 8443.3693 3105.3078 16013.8806 4712.5264 12749.8414 4395.1893 6110.9694 4556.5834 4022.6178 2984.1035 15378.7449 7517.0349 6928.1978 6684.8936 3147.5855 8160.1809 7832.3119 10882.8908 6741.1227 5636.0259 6155.5007 cellobiose 3820.8273 3466.0590 9362.0042 3932.1846 4048.2944 3640.1297 5887.0159 4185.2860 9481.2872 8614.0626 4656.7709 3129.9914 5757.5742 6242.5449 6227.4135 8491.6654 12683.2543 2731.7858 5577.4571 4254.6864 13421.5713 11536.8711 14662.5283 16372.8939 6426.2827 8755.8640 9282.7757 7256.0416 2028.8201 10354.1584 6673.0985 6680.3580 8309.3302 7123.2263 43179.5795 10378.5544 8286.3050 8077.3260 10118.3626 12170.0907 12850.4189 7790.8943 7318.6360 5698.0763 6904.8658 3182.6392 15226.2111 12043.7087 10089.7085 9900.3347 18234.2299 10079.4258 7261.8429 10672.1352 14693.6544 8952.4634 7336.3796 12646.7291 9364.1753 10883.5086 Cer d32:1 17731.5209 15291.1097 14515.0407 15534.3532 11673.6967 18663.5888 18790.3110 16384.4080 13277.6779 17466.9794 18414.5610 20422.9270 9752.1024 14410.8509 11980.3303 9388.4009 11865.5752 11637.6528 11484.9397 12750.9935 12595.8965 22518.6542 17360.6952 13333.1357 14975.5476 17455.9674 15993.5457 21578.8905 8600.2098 16977.4326 15466.9951 28465.1420 18223.4080 13396.6159 16172.6609 14077.0116 15333.9765 16034.1698 14738.9322 9834.3420 16060.0671 19227.1466 12891.4361 10286.1639 19956.8644 16414.3641 11650.2997 19716.3875 10656.2357 16457.4581 12822.5168 16124.0095 15654.6542 7762.4118 14639.3569 13372.0506 14736.3771 12138.4847 17534.6557 12012.1669 Cer d33:1 13526.0292 15148.8892 12203.7347 13880.4592 10331.9682 17010.1073 13792.4204 12609.0273 11866.7886 13687.1925 13464.6730 14298.2112 10222.6980 13302.7785 10456.8918 8597.9202 10894.5676 14030.1361 12365.2047 10532.9065 9023.9894 23718.8427 13647.3822 13991.8910 14180.9489 16123.5314 17372.2997 15097.4852 8767.6771 15718.3834 15011.7810 18624.8269 17695.3932 12159.3254 12376.7865 13215.1750 14184.0086 16227.9785 11560.4852 12614.7869 13294.6293 16436.4443 11493.1819 11197.7532 17449.1573 12556.6167 12734.5028 12196.7012 10430.5847 14558.2692 9281.7868 13461.9836 13125.8322 7369.9563 7938.5631 10629.3444 12811.5782 12588.7138 12652.9384 14688.2053 Cer d34:0 24703.0292 28069.2562 21321.8467 19420.3917 23898.5782 28802.0412 19142.7107 24094.1208 19591.4292 24562.1546 52773.4108 19852.6202 35277.6633 14507.2581 23184.2363 13103.5160 21022.1424 20469.8080 22616.1926 25826.7107 17870.1819 36791.8925 28032.4823 23420.4368 27389.6007 13587.2024 28568.0602 22311.9758 17276.5410 30812.8798 32433.2988 26154.2734 21021.0986 28500.9505 17079.8376 24154.3511 26331.2978 29418.9553 17836.1446 12168.9554 24533.5777 26542.3489 19974.3642 19559.5569 18081.4211 13298.8026 28496.9602 22314.1945 11423.2106 24794.0584 14031.9482 11389.0276 16070.0846 16250.1713 12630.2800 14456.2499 29283.1908 24839.5634 18703.9293 28707.7071 Cer d34:1 7723.6503 8726.2832 8106.2929 11349.8505 8062.5109 9222.7100 8040.7058 12015.2073 7772.4472 9870.0481 10024.6025 9643.8101 8881.6144 7868.9965 8099.5210 7715.7480 8858.4098 8419.4119 7351.2832 6117.2821 17060.2248 15135.8390 11461.2902 9250.5617 14757.2631 9194.5062 10387.6264 9592.6322 12103.7923 10340.8219 11807.3382 12591.3572 10953.1267 13762.6506 10270.1582 9342.1364 9013.3748 12645.7440 7494.3268 11811.9062 12681.4960 11280.0618 10572.1140 7970.4831 10273.6642 9289.0977 8261.0285 11098.1727 8780.1891 9919.3160 10499.1509 10427.3307 7863.8114 7421.9740 9799.3381 9034.8371 11769.6125 9356.4601 9003.4054 11851.3939 Cer d34:2 14461.6447 16592.7884 12939.2385 19720.5429 12026.1475 18829.8295 15200.3915 18449.6505 12130.5144 18903.9587 15996.7560 17800.4620 13850.6785 14881.6586 10056.9157 11325.6557 12218.5123 15880.7585 13998.2890 11468.4203 21422.9252 24126.0735 23551.9427 17963.9545 16560.8652 16881.3604 18265.0080 16127.2956 13067.0208 16465.3566 15304.3519 19783.5665 21499.8584 18547.3901 17274.6889 16889.7044 17671.6296 21155.1140 9154.9112 16001.4378 19828.6539 17736.7928 18500.0543 14256.1116 18486.1149 13374.7180 16161.7079 16609.0703 13830.2434 15538.9175 12241.0019 15583.8588 13961.9964 9489.0835 17637.4878 15419.3790 17671.2094 16502.2438 10642.9317 18860.8656 Cer d36:1 8198.6931 8259.9721 6996.6560 8443.5974 7174.0456 10381.0068 9245.1929 9282.2965 5582.5407 11762.1496 9225.1061 9282.0398 8126.3141 5946.6284 6259.0151 6408.3203 6056.5348 8008.5544 8313.7537 4906.5735 14886.7874 16639.8591 16646.2215 9580.4627 23386.9517 8877.3038 9287.1054 12641.4308 8117.1360 9098.9839 13332.1421 15165.0105 12562.7806 13164.0940 6752.4465 11475.2772 8097.8866 11450.6318 9710.9539 8623.2202 11725.6552 10245.3862 12978.3910 6617.2975 11468.2111 7024.9002 6169.3522 13418.5365 12339.1767 9208.7558 12946.4950 10169.1971 8196.7709 7221.6166 8233.0929 12318.6763 10323.4962 8088.3400 10791.3867 13159.5892 Cer d38:1 9358.7525 11773.0371 8455.5147 11644.0006 6566.5345 10185.2948 9409.2937 6220.1230 6502.2886 11043.5522 8990.3534 12673.3919 6056.8833 7258.9517 6645.2722 7853.6244 4979.0418 6832.8244 5800.3847 4575.2699 9798.4042 14472.2354 10778.3820 11498.0368 13542.3296 13135.4805 10039.1225 13359.8883 6752.1665 11141.4642 11869.8059 17536.0960 11981.5191 10513.6868 7661.8274 10346.9640 8235.1040 11749.3122 17575.3738 7861.4092 12823.7499 12469.9513 9164.9919 8806.7018 12686.9662 13794.7272 7133.2675 13056.9648 8708.4229 9553.6256 11093.2758 10267.8107 9756.1711 6889.1214 6460.8607 13783.2471 8520.1628 8097.1174 15081.8903 9177.9759 Cer d39:1 25656.8879 29497.4870 20061.3990 22555.4398 10106.8828 26033.9659 22513.7030 11013.8754 15404.8916 20493.8235 20228.6336 28623.4511 9263.7885 12714.7614 14341.6272 14585.6673 7865.3337 19467.2772 10784.4818 6188.6517 9218.8207 29582.6975 13199.1688 24258.5298 19706.6691 28884.7961 18051.9279 27726.9165 9017.3557 28093.7094 18185.1931 41705.1822 28987.6212 12951.9646 16102.3866 19227.1886 14846.8652 22795.4945 43060.6337 11235.8183 21706.1693 29226.1732 12066.5246 16300.7444 34341.4525 29038.4672 12856.5977 18177.1641 12254.4104 24865.9726 12738.6949 21274.8056 26223.3799 10710.7914 10434.4249 22160.5068 10862.4763 16970.9438 37607.3978 13655.7566 Cer d40:0 34618.6424 42586.5901 27348.5141 9755.2921 22080.3274 51378.4233 20635.3230 29482.6903 17452.9005 34156.6117 68921.0999 42460.8220 33565.3756 22609.6017 27229.0928 17993.5336 17095.9317 10457.5700 17389.9276 25739.0868 27608.5527 32345.9535 31064.7022 20907.0458 22323.2579 24228.4645 29194.7665 42361.8598 6048.3270 33762.2494 15264.1584 36506.4360 22330.2996 40048.9955 17991.2733 19213.6410 27254.1611 39574.9285 32329.6567 19104.4923 50572.8473 27058.9257 18690.1935 9258.8934 35962.0795 15226.8913 26180.8191 41832.2312 7750.9313 31563.8007 14046.9164 12273.6519 22508.3716 30951.6988 12984.4814 21847.7421 23111.1967 30384.6929 26407.1547 36619.4728 Cer d40:1 10930.9700 14031.7987 9363.7357 14071.2721 6001.7908 10321.9822 9063.1163 6901.2378 6814.2191 8902.5406 9349.4123 12726.0254 6748.9964 7152.7738 7769.3140 8870.1250 4927.7662 8687.4838 4942.1215 4252.0674 9249.1816 14251.7677 8309.3126 11142.6302 10743.9727 13636.2636 9639.3826 10958.3520 8982.7724 11949.0750 10595.4832 14795.1144 10866.8463 9597.0216 8676.4455 8433.7540 8300.1333 12853.4111 18964.7199 8335.9836 16238.9389 13078.9071 7495.9082 7946.6861 14726.3876 14346.3677 8402.9945 9571.6775 8723.4619 10630.1174 8885.6406 10031.5044 10504.5508 8368.9458 6564.1327 11908.7326 6835.6279 9906.5647 14035.9602 9686.5208 Cer d40:2 12738.0967 12899.8776 14607.2213 11799.0028 9499.7013 18476.1496 17571.9684 10636.2246 9670.8148 15978.3204 11968.9975 15152.9955 8026.3488 10494.6768 10489.5696 8405.3487 5401.6602 7857.8646 11004.7951 7575.1708 10607.1267 20111.5572 13912.9607 16227.3974 18739.0279 16396.9254 13390.6254 23935.8181 6400.2977 16683.3413 17458.9070 25487.5495 20178.8361 16883.8603 15382.6079 17178.3728 11308.6873 15275.9184 20499.1522 8033.7301 10325.8504 18147.4813 11580.9384 12555.1145 16835.0249 13874.6689 8594.2632 19688.5863 18069.2045 14157.2929 14409.1471 14571.8405 14620.4977 8805.4301 13726.7560 14522.2177 12433.4233 10450.7028 27752.4548 9578.6253 Cer d41:1 13043.5873 14588.0023 10265.5968 9878.7646 6033.3418 12186.9484 10631.9731 8133.9421 8523.3217 9138.7513 10794.2650 11958.3497 6809.5863 6660.5462 7979.6957 9770.1835 5163.2316 11891.1883 5775.9488 4036.7921 6790.1870 15832.3289 7337.7489 11163.7345 10673.5970 10909.7310 9493.1130 9858.3563 7925.7245 12845.0436 8580.0226 14788.1892 12425.9319 7221.7595 9181.5102 10065.6043 7713.3647 11873.7984 18140.9585 7841.3923 11223.2637 13590.6830 7061.4620 8818.2558 16378.8883 11613.6770 8201.9929 9100.0615 8204.1126 12559.9982 7476.4501 11720.5886 12813.9201 7622.2712 6427.3088 12933.4522 5968.2646 10786.8369 13784.3010 9788.0987 Cer d42:0 41529.3400 55670.8722 39629.8746 22472.1326 33896.7613 69308.9910 25460.6761 46651.7101 23116.4764 48883.8557 96400.9925 66484.6548 46361.4663 35289.8898 37885.3192 27474.9746 23168.1725 20273.0084 24540.7227 45527.4810 34035.8561 48346.2267 39646.9533 31440.9155 26009.1406 29845.9919 40896.0702 55630.1226 11517.1866 45061.7461 23793.5795 44643.1112 30733.2225 49922.4634 25472.2869 27343.2507 37619.1204 58188.5517 44683.6096 27382.8055 63880.0643 41915.9514 23228.1818 23364.3684 48624.9037 28863.5533 31694.6268 55614.1346 16885.8403 46016.3777 19391.3157 15276.0747 33515.5089 36481.1515 19757.8574 27651.3517 30554.7246 40547.5569 35619.6326 56936.5442 Cer d42:1 10571.1053 14139.6275 10220.1965 13085.2173 7208.2588 10157.1104 8219.3943 8019.0198 7862.5537 8483.2345 9144.4313 11586.9518 7368.3974 8996.3817 7752.6555 9338.0942 5623.7566 8805.2077 5064.6595 6270.9395 8316.5621 15717.1490 7572.0733 12335.0775 8408.4590 13638.9603 9989.2691 9363.8657 10347.0443 11465.2565 9423.9014 12542.6635 10617.1458 8641.0505 8812.8955 9768.1540 9443.2346 13725.0026 18269.9948 8741.1546 14495.2556 13087.0681 6351.6927 9200.6212 14411.0274 13398.3665 9030.6266 7835.3902 10923.8204 10317.0365 7661.6110 9754.0943 11005.1465 7260.9766 6247.5826 11406.9395 7227.5073 11145.2229 12766.5151 11417.3915 Cer d42:2 8457.0756 11602.1795 9868.5448 14010.5947 8056.5685 9986.9154 9203.3556 8329.7143 7164.0133 8831.0442 7488.8374 9993.6256 6288.6098 7532.9234 6862.4744 9980.2941 5215.4604 8160.0192 6943.4422 4756.1314 11195.8733 13066.1797 8655.2880 12864.9860 11401.5412 10717.3763 9998.4577 8823.2715 11627.5491 10299.7720 11992.2148 13083.2631 11103.8416 7434.5064 11393.8902 10464.6879 8351.0851 12262.5008 12409.6997 10952.1360 10196.9893 11880.0436 8045.4083 11843.8300 11667.3651 12012.3649 9028.6913 9728.6087 12181.9917 9186.8308 10384.3969 13157.4507 10240.6813 7630.1189 10741.0103 13832.1096 7975.5264 11078.5036 11298.7387 11059.3960 Cer d43:1 30645.9686 77498.0965 57651.6576 41132.9582 27800.7902 69925.9783 48583.1435 20720.0645 31437.3287 50798.8711 41236.3696 56188.7265 21428.4022 26311.0560 48203.0037 38169.5440 12159.1156 30044.1536 26380.2889 17563.4347 30836.5772 81267.4105 22656.3133 42374.2999 37273.9743 54391.0179 41766.4956 54695.1479 18564.5172 75884.0217 30594.6828 31610.8320 82837.2550 34245.5137 32104.6856 52199.9934 44287.8112 83249.8093 88498.2377 25001.4963 44314.7854 41399.3746 24783.4228 15931.3359 87045.9496 47569.7030 29114.7607 41860.5670 30204.4593 74495.4946 32286.4283 29410.6989 74472.5250 22343.4892 30118.7323 43672.9775 32222.8836 63974.0935 77075.4657 33910.3667 Cer d44:1 9240.7665 15665.9079 12733.2864 10043.5498 4744.2044 12583.0862 10672.1923 5634.6450 8494.7737 12665.2979 10308.1014 12792.0013 6507.2204 7380.7794 10496.0669 8287.3176 3855.4979 13611.8122 7743.8117 6426.2904 8965.5820 18407.5645 5530.8836 10512.8025 8006.4402 10697.2693 10253.6980 10237.9945 4347.9094 14461.7701 6889.2359 7822.7353 14448.2445 7521.2604 11320.2388 10503.0866 11462.7499 19838.3312 16815.8031 7846.7323 12106.7771 11320.4490 4449.0438 4622.5084 13862.7392 9607.7056 7292.6415 9846.9717 5465.4639 11822.1554 6850.2407 7179.9514 15194.9556 5485.2214 5899.2375 9867.6462 11610.7034 15269.2297 14596.4615 11872.9553 Cholesterol 9319.2906 10311.9612 8321.6122 10396.7555 8556.7574 10164.9284 11579.4865 8889.3594 11446.6779 11090.5064 8922.0412 10437.7305 8817.0753 11373.0219 10821.2610 9689.7650 12863.0783 8557.5867 10490.2715 10248.2182 12280.7578 10200.6561 9129.1785 9418.1650 10044.6275 10827.9717 10522.3851 7519.4366 11384.7518 11507.1827 8823.6279 8128.6132 9484.1347 8316.8852 10554.0006 10162.4407 11094.5120 10465.7287 9158.1702 12844.1256 10647.7967 9232.2198 9441.3205 9235.9308 11098.3175 10207.6038 10684.7748 9774.7471 7978.7301 9473.8667 11680.1032 8857.8490 10662.6825 8919.6282 9895.9109 9755.7350 10091.0607 9431.8623 8596.9110 10168.2123 Cholic acid 40.0968 143.0649 2.8644 146.8129 114.8236 39.8095 104.3433 38.9238 2.7034 74.9861 2.6660 60.2974 28.5466 66.1903 37.7339 2.0299 96.5038 176.7193 24.7002 21.8816 57.9509 54.7035 1.8086 1.6769 34.4813 1.3280 494.3116 59.2897 60.7739 2.4417 2.3912 38.4008 55.6401 108.8595 43.2426 23.6647 2828.5438 40.5993 20.4903 326.5303 22.2648 123.9586 51.0168 78.4831 1.4781 31.2194 69.2689 1.6116 45.1835 73.3224 73.9471 88.6625 45.2520 219.2929 2.6881 233.9995 1139.4592 88.8114 47.3719 81.2873 Choline 12156.8058 8767.6331 10968.8592 9353.9113 8842.4030 7312.2607 5826.0338 9495.8317 7078.2040 6899.2872 10182.7069 10215.4662 7812.3246 8056.8256 7176.4779 7863.2209 7378.0072 9285.1018 5008.9434 5998.4701 6967.5570 13652.1559 12798.3210 8966.3315 11378.3212 8425.9871 14366.7154 17868.8463 12041.4323 10842.9022 5714.7866 19705.3714 14708.1667 19640.7859 15412.2098 9635.7078 5969.2560 11564.0853 8912.9251 5209.1237 4510.2798 12125.3157 11262.7088 9431.2491 4814.3962 12806.4979 8070.3205 16726.5702 7874.8770 9568.5216 8129.4993 15262.2200 11758.5831 11287.1326 9807.2406 9869.8463 4688.4699 8182.4517 16680.1076 7683.9492 Citraconic Acid 8956.1646 8896.1039 12200.2744 8709.4182 8789.0909 9225.3527 11735.9724 5800.9373 13357.1648 8484.5838 8806.6416 14150.2669 7452.6024 10841.7897 5569.1828 6962.5336 10039.2063 9687.7814 14367.3590 10482.8838 9414.4609 9485.9943 5098.1759 10391.9174 11119.2339 9126.2078 7703.6897 9896.1916 9377.5985 12497.0304 9974.3067 8840.8236 13905.0183 11837.7857 10254.0408 7935.1837 8472.8008 15368.7140 12951.3197 11575.8032 7941.5334 9727.1065 8646.1499 11083.6830 8316.8292 9327.8321 11602.0248 8306.2112 7654.2035 10975.4807 11819.0218 6319.6941 8791.2339 9942.8941 9669.9589 12241.7063 9822.7531 12369.1151 10000.2987 15700.6619 citramalic acid 7601.2225 12555.4797 10655.9834 8929.1676 9570.6482 14637.4791 17710.4858 11677.9157 17849.9494 13639.8807 13533.5189 13526.5755 10996.3670 17170.8494 16029.8237 13883.6807 10585.6191 11273.4690 16369.4579 13573.7313 20434.9765 33272.8902 32649.3827 37089.4749 36906.2604 13904.3742 11506.9750 9222.2273 11520.0341 14622.8835 36286.2378 26454.4605 14128.5648 8083.5107 11974.3034 17920.0646 18301.1703 28163.9518 31261.3164 16971.4921 10676.8938 23489.0724 25091.2576 34956.2133 85878.3465 30378.8427 17802.1157 13783.4775 17860.1987 12552.6735 23605.5074 24859.9012 9525.0055 9260.5438 19759.1221 12478.2928 18179.3462 36818.8460 22740.7293 17225.0645 Citric acid 9968.1914 12514.7840 14625.2292 15052.1018 17649.9169 9305.5066 5996.3826 13065.5041 10805.5507 8193.5216 12525.6084 7726.1726 8587.7985 7372.3621 6347.8052 8039.5024 12400.5495 9979.5557 8702.9588 10009.2495 15616.3026 9406.3496 6555.1039 6571.2562 6590.2536 6718.8325 6690.2587 11541.8890 12124.1424 9745.9385 14313.6944 12398.0444 8680.9015 9154.7313 11626.3401 8503.4141 11187.0031 12853.0734 8412.9559 7860.2509 10928.8616 12509.0850 12094.6102 5735.4699 7292.3483 9420.8437 8889.9893 5973.5227 11665.8341 13734.7713 10704.6513 7749.8182 9764.1590 12756.2267 11546.7686 6910.7202 7915.7502 7633.1645 6661.4619 14692.9553 Citrulline 5038.8318 5221.8691 5983.8264 7439.6225 4652.0965 6969.0750 2170.3400 1751.5725 11190.5349 3913.3386 5247.9309 3761.6307 4221.2107 3428.4679 2282.3284 5023.0234 3083.9862 7120.5271 3158.7187 3107.9653 3185.2317 2066.4236 2487.7167 5615.8465 1343.9867 3433.5328 3894.8194 4049.5785 2762.1722 8028.4494 3779.2425 3415.5348 3417.5180 2529.8196 2872.6829 2300.2121 6353.9168 7434.9176 3547.8990 3760.1291 2343.2007 1765.1182 2060.9028 7094.3689 1035.3749 4856.8517 3233.5100 3631.0159 2716.9035 4828.8027 3591.7171 2927.0953 3604.6788 9366.4218 2291.6053 4395.3964 3612.2694 2996.5995 2737.0412 4309.2292 CMPF 1292.6446 542.0819 966.7503 966.6561 743.4540 6819.4878 166.2971 973.0958 2045.0875 541.7748 766.4618 3282.7301 970.5838 1264.3315 2396.6735 699.3055 303.2977 489.7650 1774.0550 1448.8729 606.4151 20159.5961 381.6127 659.8494 835.3877 227.7513 407.9184 1951.8535 2939.9357 5517.1172 895.4928 832.0166 574.6577 145.1460 373.4586 1383.9136 1564.5980 1583.3742 2102.3069 717.0862 358.2607 30923.7865 376.4688 591.1278 417.5495 218.5360 333.8375 426.2777 488.1783 3232.4697 883.4040 581.2322 857.4063 349.9973 3049.6495 1286.3649 870.2160 687.5043 2849.6810 511.8088 Condition conduritol-beta-epoxide 4596.1116 8982.1455 7020.1597 5214.9891 5429.6150 6784.5141 60283.5080 8438.7137 14029.6434 24328.7527 6741.4233 7188.7725 10365.6327 12424.4358 11719.8906 11474.9774 6090.6863 7398.5014 34283.0188 25150.8966 5111.3756 8813.9320 4609.2430 15310.7430 17048.7041 8128.9201 6228.7232 3904.1535 10780.4210 7216.8318 6624.5375 5202.9128 5191.6417 12029.8565 6509.8356 7005.8235 13612.7874 6946.3200 7214.1499 57760.5774 34481.6344 3988.1468 5780.0410 13729.2154 22470.0886 8136.8032 10465.1802 13506.1519 9381.3810 6592.9564 7895.5601 9229.6539 4938.5265 7510.2548 8812.5944 6824.3135 49150.6280 11745.1432 5565.2418 5324.0374 Coniferylaldehyde 248.2183 193.3612 822.0958 1842.5850 308.5160 829.9677 3458.9794 429.6592 1674.7279 413.3610 190.6157 452.2306 1500.0768 167.8741 1024.5322 350.1602 114.4260 557.9282 1006.1696 207.8750 511.2100 366.5132 556.1417 422.5719 288.3890 296.1430 252.9450 566.5457 238.5374 422.4215 496.1676 110.9355 291.2410 254.0054 879.5933 456.2561 409.2490 732.0978 266.3742 621.9625 157.8776 1891.6592 374.7096 1348.4060 419.7665 493.2670 807.1749 709.9257 178.7695 383.3713 411.9911 603.3978 835.9711 252.6952 2400.4733 1983.3040 4392.4314 444.0568 568.4624 751.6564 Creatine 6991.9958 11577.1702 7487.0933 7163.7170 5139.1473 18647.8697 7637.0195 10945.3238 7286.0169 4407.3508 10525.8355 10687.0342 13794.0618 7529.3881 11995.0078 15384.4610 18001.5248 19325.5226 7587.7683 9796.7385 9968.8683 10740.9008 5126.4890 10162.0733 8377.3844 6998.3748 7227.6374 4828.3025 10591.5912 12813.8318 17187.4706 13467.6607 11484.4242 10867.6878 9251.0699 7974.6068 13642.8461 4593.7932 10213.4280 7232.4990 6477.6035 14569.7726 4562.6716 10740.7484 11582.5854 13498.8931 6348.2578 6426.3423 4594.6431 11870.1647 17749.1159 11379.0303 11428.1231 7773.7174 8557.8644 7268.1898 14085.5468 8101.1349 10149.1380 8175.4702 Creatinine 7765.7474 9328.2676 11405.5385 12734.5667 7663.6778 13575.0943 7991.8840 8406.1460 11131.9529 7044.7868 13733.5070 11448.1293 16936.1620 9650.3001 13512.0721 12367.0846 13626.9408 14831.9431 10994.7368 9196.2290 9207.1388 8910.9866 5614.6106 10197.8489 7340.9953 8031.1395 6785.2211 7514.1723 9592.3737 11972.6272 7808.4224 8458.0808 8224.2562 7596.7171 9179.4069 10645.7078 10923.7731 10696.1563 10494.3579 12353.7721 6698.6134 14183.1842 6308.3163 10980.5381 6303.7626 12730.5455 8553.9758 8222.1157 7898.1459 10167.6939 12377.2470 8923.1442 10157.2876 6568.8051 9902.3044 10051.1528 10775.4324 11059.7643 9474.3926 13771.0469 cyanoalanine 1021.9197 1378.4853 1219.8226 888.1731 1095.2945 733.6231 411.0151 1389.4991 554.8447 867.6648 483.4123 725.6486 1111.5317 1023.4154 663.5929 822.4594 1503.5498 1182.0030 798.6061 814.8824 835.7562 1268.4622 628.5782 1152.5961 651.2988 1382.9646 653.2681 553.2732 612.9336 750.9976 1051.1445 584.5060 746.3528 576.5832 902.5907 706.2684 543.2333 640.1353 791.0386 938.3277 699.6894 853.8672 651.3914 1163.0551 438.8728 823.2322 1068.3289 699.2992 660.8242 1043.2879 534.5540 1053.8322 963.4466 664.7733 451.7742 557.4903 1314.2400 1347.9641 634.4611 985.1844 Cyclo(Leu-Pro) 2218.6899 422.4886 1266.0849 577.3543 417.5405 791.3646 1113.8644 452.1153 1836.9292 2467.9809 769.1278 2981.2431 479.7667 686.8447 428.7942 707.4252 827.1756 542.7808 712.6732 1687.2258 711.9686 903.9748 510.9269 3457.7114 1211.5472 1165.9802 389.2147 1463.4196 1248.9029 3828.6523 461.4956 1270.4254 1577.0485 448.4638 3412.2323 2123.1999 1570.6311 2299.7561 1523.4554 517.6923 335.9960 2034.9863 365.0340 3796.4100 1571.9075 1959.6884 1249.7261 1427.9095 623.7288 3074.3028 434.4393 966.6680 1537.3771 801.6536 2807.7205 2710.5999 560.5404 3213.9261 1880.1368 730.5819 cysteine 21294.5419 13898.5642 13206.3262 16049.6917 8137.5891 16245.6528 11754.6443 13503.9170 12741.8558 13491.0027 17834.5713 16406.9356 26565.8072 18852.7936 12263.2744 14391.5215 9701.3013 14477.2387 7832.6342 14241.6848 11049.0341 27855.7059 28753.9825 43897.2129 28557.3355 13291.0173 24132.3219 19258.7438 16144.8084 13939.5346 14562.2468 24870.8334 20486.5638 24408.3447 7506.2797 12743.7556 12255.7027 28523.5897 21261.2019 19045.3323 11964.0776 18209.3099 29286.1758 41030.7182 10049.7926 32210.4358 18079.8004 15287.8188 18992.8893 16774.6155 13865.7360 9584.1247 24527.9493 6745.5552 19854.0746 35781.1884 17065.6495 27142.7395 30466.8593 13498.5415 Cystine 15716.7226 10100.6942 9658.9886 9876.5181 13977.5997 11099.3930 9333.3903 8806.8996 12999.8210 9680.9229 9814.0554 10106.8604 15233.5971 4726.9488 6895.1519 7456.6836 9875.4290 9004.9015 4966.5973 8759.5407 12127.6850 9853.7206 7808.1946 15542.6881 15736.6443 4512.7125 8946.2684 7988.2052 13019.9633 12363.4049 12760.9342 12998.0084 7537.1085 12659.2247 6057.4246 2458.7575 16702.7692 13561.0768 7398.2777 6848.0697 8633.2956 7091.6103 5968.1041 14257.6975 7747.3755 18876.8127 9472.3336 3764.1023 7801.3678 10311.5368 15382.9782 5707.4664 7750.2473 1986.6877 10330.7734 9064.6647 17943.6996 13936.2873 12507.0996 6494.0058 Decanoyl-L-carnitine 2440.1770 4801.6160 3898.5102 8186.8839 2910.0250 6887.0433 1292.5523 14237.1403 2715.5193 9986.2776 5377.2296 3660.7485 6426.6643 1900.3343 8025.8833 1761.9658 1535.7893 1550.0811 3972.3721 4302.8556 7707.4743 4919.2095 31808.5915 4260.9334 15561.2504 4188.4983 1637.9083 14462.9147 1595.3140 4596.5803 10158.8813 1569.0980 9730.9282 2762.4253 3894.7801 20005.2195 8569.0899 31264.1100 6071.2821 3863.4847 1391.2122 4250.7456 3392.6172 2908.8833 7639.3077 2439.5756 3272.9548 12687.6043 9040.6291 2811.3897 9714.8025 3007.1378 18741.4718 3604.5366 9878.7676 6061.8524 4294.1071 15387.3504 12395.6387 11078.1511 dehydroascorbic acid 41893.6528 45665.9445 38204.6291 25306.8778 22096.2488 56567.9349 123573.0487 22700.0904 83789.3712 69429.3064 23180.4835 34775.5481 23949.9094 58145.9742 52265.5127 53925.2113 29667.6040 66050.1668 53123.0414 35371.3139 17196.1580 38051.8857 46481.0774 62620.5215 26291.9045 17944.5717 66961.4278 30764.6087 41969.8754 73189.9095 34146.5162 21946.2806 41233.8201 26451.6565 17183.1702 29897.6985 69510.8946 18278.4187 35778.1878 22417.8724 28006.9571 16745.6847 31966.8205 44022.2827 44738.4532 51688.3454 96124.3562 67051.9242 28208.5365 80136.9650 60039.3201 24810.0837 41090.9469 22838.9583 72875.5683 35577.5661 57055.5381 19644.5663 22368.6688 20397.8634 Dehydroisoandrosterone sulfate 12304.9457 149237.9346 177851.9829 367700.4556 158261.7496 161475.7717 59430.0136 108995.7138 331678.5863 59295.2807 70069.2744 192502.9602 11917.7375 208618.5295 520174.2020 142806.5142 583431.7311 403642.1185 184495.9083 105770.8494 98640.7696 171785.3054 493255.1724 3985.9263 68388.9411 133630.2265 496719.0574 236663.6530 586625.8096 465107.9975 476441.6077 17926.7578 212063.4672 388121.2266 162168.5028 47624.8039 4236.2797 88505.2485 30225.2722 152455.8128 12603.8965 237109.4794 275474.0055 2245.9518 7274.2290 27904.8207 550730.9296 197741.2889 426919.2496 340103.7818 127475.5870 12906.5568 215114.8945 438542.2738 128686.0689 26917.5340 2052.8644 98727.9231 36695.3013 263270.4189 deoxypentitol 2527.0022 3065.9228 2462.2146 1193.9873 256.7402 2756.5836 5701.8652 1670.9542 2013.8806 2245.4976 2060.3298 2365.9379 3393.5702 2113.2613 4771.2230 4999.5009 1759.2056 2865.6167 2340.7420 1801.7029 2887.2536 3221.6168 4313.7914 688.7747 3926.9487 3341.4365 3098.4400 3437.5497 2191.5544 1021.5920 1758.3149 4188.6229 2983.4802 6056.7022 2639.8781 2681.4258 1456.9437 3693.5509 4322.1698 1846.5434 2242.8821 3258.9092 3737.0408 3789.1165 1180.8236 959.1246 1830.6997 5717.0956 2549.3457 1526.0031 2916.2889 1924.6808 2516.5974 2270.9580 3668.1662 3037.5312 1610.1873 2858.7828 3769.5603 1530.8249 DG 34:1 1619.3011 2408.1057 2139.5591 1498.3055 1997.2211 1744.9697 2492.8414 2264.7775 1702.4673 2989.5200 5851.8932 3028.5720 5923.5517 2315.6251 5566.3342 2944.8291 2923.3527 2095.0776 2974.7229 2227.5366 2465.7338 2518.6486 4000.4248 2466.3371 4911.1478 3120.5288 2591.7789 10753.6637 2402.3953 1835.0172 1838.6160 3095.6385 3305.0183 9892.8006 2770.5092 4970.9317 1480.5938 3188.8517 6588.5842 1610.0471 2641.4966 3213.2660 4788.5820 2162.9962 2088.5374 3016.2324 2677.5422 8747.7502 4538.3395 1663.8333 2471.2514 3564.9950 2864.7018 5362.6757 4239.7714 3140.8409 1671.0754 3263.1990 9209.3006 2024.4812 DG 34:2 1773.9339 2526.2210 2252.1164 1884.2141 1976.3595 2702.2485 2122.5369 2401.1827 2397.0321 4170.2548 5790.8012 2892.0767 5138.9894 2494.8866 3587.3675 4092.3244 4411.7145 3214.9821 3141.6867 2200.0468 3092.8137 2597.9444 3726.0735 1874.1676 4729.5695 2842.3384 2660.0202 10874.0992 2297.3476 2114.0751 1702.1453 3446.9434 3981.7836 8848.8367 2144.4295 5546.1842 1430.0370 2693.3409 6117.7667 2477.3419 2924.2375 4219.7001 4195.7378 2916.1313 2166.5225 2908.8049 2566.4357 6242.4356 4166.7230 1902.4577 1823.1279 3523.2097 3427.7426 7697.5541 2866.5152 3216.8978 1607.8876 2565.9211 7991.0954 3003.0417 DG 34:3 482.1417 738.8232 874.2598 682.3844 594.0058 1059.9240 669.8036 538.8570 1013.1247 1040.0515 881.8807 727.7492 975.2102 653.0240 700.6118 1004.6894 1134.5638 873.6844 963.2530 926.9233 1209.4445 526.8465 680.2955 548.6668 547.0626 590.9148 410.8408 1801.8772 500.8796 623.8871 717.8735 481.6277 775.2755 1568.7076 243.8304 1018.1552 400.4424 312.6913 1172.7531 475.6616 894.7005 609.6002 1021.8762 822.8168 639.7212 246.5322 528.6711 1506.0758 1440.2935 511.0267 541.1008 1146.5464 1110.1714 1813.3693 872.9226 601.4706 428.7052 417.1353 1089.8393 843.8400 DG 36:1 295.3661 214.5359 189.2127 100.4588 285.4741 132.7694 310.8931 166.8427 272.4296 288.5443 641.8252 443.2716 477.6829 297.4559 1263.3232 289.9391 235.8653 336.2361 328.0000 234.5228 174.6029 172.0315 421.0973 206.8598 656.4751 242.6971 218.6509 687.7039 322.7553 209.5283 281.3541 312.5858 231.4990 718.9910 414.1922 349.1116 161.3005 219.7830 688.7779 166.5566 331.1554 277.0910 698.1521 175.6361 287.5699 418.6916 422.4485 561.3701 338.1041 169.9790 390.6703 240.5200 272.2395 574.4542 472.2685 397.3587 155.5393 521.8040 964.0152 150.6420 DG 36:2 2906.7497 4876.4743 4015.1908 4101.6573 2159.7217 3680.7257 4040.7958 4752.7634 4048.1468 5976.1689 6901.2379 6013.8979 9821.5577 3075.0240 8249.8341 5389.8379 4090.6278 4412.5475 6157.9036 3094.3258 5145.4626 3776.6290 5343.4701 4738.2438 8368.1178 6292.8585 3776.9502 18321.3153 3201.6713 4199.9626 5531.7385 4063.6158 4398.4819 11503.8560 3770.3201 7561.6521 3608.7970 4121.9305 11267.0109 3005.5214 4489.9633 4012.8714 6518.3610 7515.1233 4838.7293 5130.3496 4806.8780 14715.9164 7497.8671 3350.5484 6052.3956 5969.1754 4676.6854 6971.5445 7796.3019 5421.7728 3834.0439 5127.2245 11129.0699 3824.8366 DG 36:3 5088.1151 9887.9375 7409.3757 7310.2118 2961.2453 9817.1280 6189.3761 8685.9683 10132.9876 17553.8298 15044.4398 10586.4875 16368.0817 6539.1046 13289.4024 14049.0637 10551.0995 10709.2528 11599.5421 4626.8848 11588.7358 6627.2446 9678.0612 7098.0437 16383.9428 11748.2680 6193.2513 31219.5445 3728.4322 9294.4138 7417.0911 8072.4582 10956.3081 20499.0686 4435.7960 16829.2612 5561.2548 6248.8307 19480.2872 7876.1766 8755.2832 9653.6525 12007.0452 14131.0663 8988.9967 9413.6750 8202.3384 19103.6921 10926.5700 5892.6068 6526.8878 12728.1938 10365.4299 18848.4516 8176.6329 10168.3463 6954.5512 8498.9403 19998.3915 9486.7704 DG 36:4 Isomer A 2486.2874 5354.9618 3908.4554 3745.1512 1466.8979 6473.3466 2964.0641 3660.3944 6466.0681 12014.0662 7396.4423 4271.2189 5791.7282 3528.1025 4789.2565 8457.2781 6698.0587 6105.2008 5249.9759 2035.1077 5672.4652 3456.7579 3777.9131 2873.8421 6331.1826 4867.3726 2551.3911 10526.1745 2001.9961 5173.3767 2689.2213 3919.1274 5796.3421 8073.6889 1756.8563 7247.9727 2248.5766 2087.9386 6971.3021 5949.5218 4225.6200 5896.1006 5141.5583 6313.3527 3876.1012 3787.5064 3677.4998 5276.8790 4104.9110 3592.4417 2358.2414 5846.8771 6151.0213 12017.2115 2391.3433 4430.7044 3220.6358 3319.3815 7551.3469 5650.9113 DG 38:5 1804.3393 2310.4798 1909.5929 1124.6480 1343.9245 1623.3573 2429.3606 3590.5008 1739.0233 2324.8632 1995.1923 1886.6071 3703.8145 2113.7097 2476.3227 1554.9967 1526.2380 2539.8624 3237.5180 1738.7328 2110.1400 1814.3947 2111.0695 2163.5938 1731.9769 2586.2114 1289.6224 3475.1736 1309.2902 1463.8796 1468.4625 1790.5218 2190.8676 3527.7510 1543.9040 4211.2233 2529.4481 1663.3578 5030.2527 1200.4079 2100.2222 1782.2889 2280.6950 2363.4504 1191.7092 2662.2727 2250.2098 2492.4833 1344.9690 1003.5301 1383.0626 1750.9038 2410.3801 3426.2090 2361.3427 2613.0989 3810.7130 2340.4218 5662.0803 1744.0177 DG 38:6 1643.6254 3254.1969 2006.6251 1951.5950 1530.5806 2538.2392 2193.3424 4693.0157 2155.0659 3944.8744 1920.4444 1742.0032 3199.1999 2756.8841 2007.0697 2201.2291 2367.2614 3653.5894 3525.0120 1582.3843 3267.4166 1809.0187 1723.4685 1939.8656 2035.3833 3156.9813 1628.0438 3060.9222 1294.0659 1606.6971 1369.3810 1798.0768 2983.8750 3373.0897 1287.2965 4885.4775 2119.3758 1349.6675 3995.3696 2995.0178 2512.7140 2645.2294 2588.8180 2843.5860 1347.6793 2740.7774 2694.6354 1864.2834 855.6863 1333.6817 1361.3587 2228.8862 3102.4694 5348.7776 1550.3570 2571.9661 4507.7235 1787.0632 5318.2885 2018.3576 Dihydro-4_4-dimethyl-2_3-furandione 938.4562 597.9666 1112.8370 638.3889 930.1873 766.0313 475.4140 926.6866 1177.3108 542.7121 1692.8809 801.2598 2420.9343 564.0568 655.1975 731.7842 784.4381 758.6309 569.5574 594.7100 894.1001 1148.7729 561.5675 857.7204 565.8067 320.0470 529.9377 754.7669 782.4635 1778.8094 466.2779 624.0125 554.6620 361.0041 571.9813 809.3339 826.5421 1073.9180 754.0438 682.3294 491.8495 1039.4442 686.0880 969.3495 407.9421 607.4410 613.7993 643.8486 835.8948 892.4382 751.3555 719.1517 559.6958 441.4904 974.4363 519.2260 1006.2160 770.0467 769.5297 493.7449 dihydrocholesterol 1124.0106 892.5290 772.7334 988.0926 755.5775 1299.3324 2288.6950 858.1910 1862.2035 1709.7264 1297.2071 2406.3640 1064.5515 1372.8977 1877.4108 1433.4870 3403.1566 760.0780 2136.1730 1185.8519 1714.6686 1400.0577 1482.2152 1443.6440 2171.6682 1523.6873 1110.6523 1459.2706 1125.4982 1577.4871 1164.4537 964.7384 1989.9523 1118.0969 1660.4074 1517.2800 2415.5907 1571.7877 2275.2554 2074.8115 1864.4786 1754.0842 1252.0250 1185.8991 1665.9453 579.0198 990.5772 1779.6717 1550.7200 919.7543 1573.9645 981.9800 1585.6930 1738.7186 1461.2695 1895.8623 902.4448 1514.7428 1056.4560 1485.3549 dodecanol 1966.0077 1067.3874 1601.3530 899.2753 2031.4687 1842.0535 2162.6762 1678.8547 2533.4970 2670.3215 1060.0615 1225.9217 2567.9181 1861.9805 1747.4287 1494.1851 1105.3972 1199.3704 2485.3172 2177.8826 1603.0941 1904.6721 1377.1216 3247.9091 1486.0905 2380.6400 2099.7214 1461.2862 1884.6004 1506.8972 1231.2251 1440.0287 1416.4289 1687.4599 1689.3622 1800.5854 1385.0452 1063.8869 982.6820 1216.1349 1214.7670 976.4368 1790.2688 1297.1392 2637.1726 1820.7611 929.9914 1570.1812 1928.6354 898.9923 3101.4029 2172.8104 1324.3692 1353.7392 2663.6684 1971.9736 1206.1802 1513.7618 1810.3681 1764.2379 Ecgonine 624.3645 290.6006 895.1392 786.8514 559.0403 382.4125 362.5929 678.1729 939.4156 470.5380 554.5185 296.8488 534.0973 270.5171 1350.4158 989.5833 350.1710 1142.3643 454.0477 260.2345 631.2513 1185.6977 267.6714 640.5654 412.2082 432.2626 301.9309 506.3149 785.5022 528.6373 370.6312 544.0109 297.3267 486.6111 341.0267 661.6660 813.4703 529.1011 371.8993 476.5330 246.2621 706.3055 210.2244 1985.4548 308.9127 709.1271 341.5341 730.8769 545.1488 504.8770 413.3116 1156.3073 822.8718 336.9269 584.6618 347.2047 642.3242 672.8766 470.5606 343.2129 Erucamide 1935136.7310 577620.0926 468233.7034 478258.8547 578609.0020 406512.8878 689562.2807 484920.5923 643213.1285 259176.4286 290827.6115 469290.1040 244963.7432 3559678.2460 621869.3128 307832.4724 525008.3219 452859.7168 302705.2177 1711481.5330 420392.6378 665622.2444 2115727.5500 2417059.3350 447299.1589 4118156.3500 941099.8653 541533.9526 422193.0017 582837.8336 1182757.0460 492053.5543 1462769.8520 531216.5344 625941.1929 872531.9947 407858.3118 338163.6782 2144280.3120 363831.5962 214620.4533 246283.7039 2910464.4380 1321675.8360 1341773.4090 680794.1350 1186890.5980 368980.0299 2068478.0530 607393.1992 514460.6596 991190.5614 1210132.4760 2628826.8980 467060.0692 3851031.2970 264226.8014 1547761.4050 683551.8364 690203.2339 erythritol 29469.8994 23112.4239 22216.8924 17646.3847 14782.5710 26732.2647 55553.9262 14385.8095 32507.8296 21837.6538 23770.3074 34096.3895 30387.1972 37284.8604 29902.7262 25950.4647 25654.6454 23363.2046 41041.6655 28857.4651 24314.8221 18177.0033 20879.9004 27271.5363 19890.8269 21161.7840 25317.2750 22193.4095 21982.7820 31002.6700 23313.3539 18733.5199 18739.9245 23853.4220 23434.4096 24099.9132 25801.5845 18518.8452 19843.2447 28586.9399 26750.3720 14614.6217 17886.8266 18388.3885 22628.5157 14554.2721 28142.0853 26984.3718 21316.3303 23838.8681 64301.8930 16895.8040 19147.6377 20714.2083 20778.6124 28702.8412 37606.7335 19845.6817 20465.2856 23065.4396 Erythronolactone 12436.6924 27032.5613 14416.7537 32387.9264 19281.0902 14828.4351 15360.6336 23288.4285 30074.8159 9804.4362 36548.8992 23397.7142 21782.8836 15253.5165 20702.1822 23719.5508 27175.4741 39803.5066 13226.2266 13127.3826 59635.6512 69273.7387 61806.7835 55362.7891 65989.3566 32103.6309 29456.5197 20799.3804 48912.3259 17027.4914 41360.0492 61032.6848 54811.5634 77396.2917 53351.5102 35465.8636 24747.9982 40567.9069 49721.8125 25681.5632 14130.0468 49438.8049 60513.8407 38306.4194 35100.0211 50009.9628 19640.6151 21605.5920 26285.9924 34431.1439 36865.2790 103068.9723 35448.9854 29754.1282 52720.3619 29944.3495 17221.4553 38842.9509 91572.9781 36040.3696 ethanolamine 70043.4463 69276.1250 61946.5685 66063.9304 43512.0874 60855.7318 85771.2915 60417.0422 55502.0795 58079.4919 59299.5948 80080.0758 47568.9581 83517.6252 80477.4942 65902.9714 30569.7339 54933.0042 68669.3057 63761.9410 57506.1332 78816.8160 81925.3528 105874.1822 106830.1441 56627.7887 75508.9150 57946.5468 118182.1800 82060.7007 48957.6385 104220.0572 77965.3852 79565.3862 95760.4798 82200.4655 59145.5239 93756.2868 57568.4477 74763.1529 47121.9425 63452.9405 77559.9873 94920.5951 85084.2426 85621.0696 91079.5820 88103.7245 87147.5087 64336.0849 70095.8641 98235.3622 74314.5685 42848.4228 84395.8091 94689.3269 54146.6870 90644.2120 102234.3922 55916.0334 FA 13:0 (tridecylic acid) 2504.5306 2678.0835 1869.8097 2529.8454 2628.5581 2336.2957 2037.0820 2804.7617 1698.1153 1929.3709 1797.5417 1366.3035 1789.5391 3578.3351 3294.5745 1312.6596 3463.9491 2211.5688 2703.0361 1852.9875 1913.1794 3608.6295 2308.0601 4696.5167 2909.1315 2364.6183 5001.1166 1746.0231 2527.2346 2008.8412 3035.0718 2207.9325 2638.1040 1043.0433 787.9234 611.7268 1110.6460 1546.4732 494.8446 1823.1195 2385.8679 2931.2269 3955.8699 1383.1340 3114.5284 5152.3860 3667.7322 1738.6434 2457.5846 2643.3920 2392.6683 2237.0394 2231.8334 526.1418 1342.2878 794.7173 757.2820 1164.4387 1014.2178 1628.8929 FA 14:0 (Myristic Acid) 5655.2052 8910.8151 6030.9601 5183.5478 6982.5718 5336.4193 6422.7926 7272.9360 5298.9325 8036.7397 14777.2680 6841.2651 7427.1451 8229.2684 14013.6073 4422.2094 7989.1318 5056.5366 13079.3938 11429.2021 5551.0946 13821.7040 24558.7712 16654.3634 20069.4737 11784.8144 11878.0983 12044.2211 7474.6874 9208.2714 17520.6505 8188.1652 13581.7453 11342.2125 6864.5480 13366.8314 19445.7729 13157.7265 6024.9357 5036.6965 6977.6255 14485.0022 9378.6542 3387.5409 22797.1285 8048.9137 18357.3193 12975.9888 14545.9498 7201.7827 7744.8021 4944.2814 16447.6803 5704.7757 4403.6605 5440.3668 5578.2042 6861.3395 13605.1658 5143.0865 FA 14:1 (physeteric acid) 4960.4127 11821.1715 4888.4802 7371.4671 5443.7724 8386.7884 4123.8092 6239.6930 5641.8163 8392.9069 9413.1964 3144.7956 11697.5617 8919.7366 9633.4116 3865.1333 5726.1902 5040.0118 8184.1927 12911.6372 5506.3795 17036.4942 36839.6376 23685.8921 16019.2344 14606.9141 23509.8437 21420.0553 4917.4504 7309.0624 22136.3013 8271.7198 20409.3501 14415.7235 10000.2390 13339.1878 20388.0578 18700.5374 3732.2153 4213.4318 4214.9688 8036.6286 12880.7103 3512.7212 22399.9901 7281.6532 22687.6827 18631.0719 22986.6078 7106.4315 5885.5001 3317.3409 22506.6038 3173.3962 3017.4863 3183.5259 1516.5082 4381.4604 10232.4150 5966.8920 FA 15:0 (pentadecylic acid) 7749.8848 11548.7832 7600.5291 11193.8001 6848.0856 9210.1821 6597.1180 9445.7792 8078.0157 6739.8782 11687.2556 5039.5113 6654.2507 16073.4520 12322.1399 6282.0137 9949.3846 8907.1684 8624.8192 10742.5166 6074.9037 14767.8288 10981.2299 14006.0960 9987.5783 8154.8156 27643.3202 7437.9071 8906.2183 10035.7495 9425.8282 7927.0255 12934.3936 6431.3331 4306.9598 9086.2795 9349.0070 10128.9999 3810.5895 6092.0703 6637.6317 9293.4342 10444.0037 4681.0828 20946.2998 10515.4950 18383.8359 8825.8074 9113.1705 15788.4380 5770.9932 7691.5429 13104.6188 2440.7686 3630.0805 3328.6550 4158.7322 5909.1609 8125.8161 6526.5943 FA 15:1 1634.0694 2717.8570 2916.7867 2632.7543 1597.5573 2528.1978 1815.7131 2000.9856 2380.4949 1615.7046 1345.4611 1167.6422 1475.5725 7620.5832 1844.9879 1544.8993 1399.6971 2150.6757 2063.8313 2267.0533 1146.6301 3240.3745 1915.6739 3475.7775 1572.9020 1835.0973 10376.8643 1658.1692 1762.9745 1970.3180 3578.1506 1825.4635 2587.8638 1417.7287 1109.4814 2268.7040 1585.7200 2285.7433 1189.9153 1530.5201 1119.3439 2249.3852 1680.0503 839.9985 2324.9296 2236.6947 3748.3148 1807.6117 1630.9425 5502.5267 800.7992 1393.1813 2276.9120 694.9043 867.1160 707.0190 859.3547 745.7641 1105.7261 2164.1006 FA 16:1 (Palmitoleic Acid) 3183.0010 7397.9021 2664.7007 2544.0998 4424.8095 3821.0162 4712.5462 4841.4312 3444.7024 10260.6261 2907.7709 3937.5454 8375.4891 5196.2308 7145.3625 2930.2917 4924.3398 2229.9199 13364.8685 15180.6636 6991.3437 12472.9391 38698.8595 35446.4169 19826.4153 12637.8459 8972.2019 22955.5937 4124.7570 7956.7410 22237.4484 4344.7756 20199.7001 21332.0074 9055.1394 14969.1846 25981.8373 16012.7692 4091.4177 3344.8655 3139.7829 6408.5619 10097.0074 3996.1095 19078.3352 3804.0543 10294.1831 21674.6058 30928.2412 2990.7698 7981.9940 2705.2469 21788.2248 6128.4123 5125.5521 2507.1415 2240.6213 1806.0532 7188.6242 4976.9021 FA 17:0 (margaric acid) 35866.1297 55458.7467 35254.6945 43253.6179 31851.2292 40109.7572 30106.1671 48830.8115 26948.7685 42063.5870 35169.5763 34409.6317 42209.0268 52012.4260 59144.8339 22130.5749 38113.7701 36459.9977 48784.0719 45277.4952 37340.5356 126293.9668 98689.1080 61411.6170 73240.4302 69756.7202 72344.1941 41897.5724 41562.3520 36332.9648 56822.3020 48457.4138 66347.6271 52204.6384 35372.4384 71865.9163 64193.5726 68060.8050 27027.6685 38708.6543 39450.0937 57789.3072 48541.0691 29576.5394 114311.4764 66936.9448 63193.9018 42416.0561 56835.7395 40672.9340 27434.4831 36084.1085 62346.3773 23068.1751 27903.5219 27396.7938 26676.9352 30794.1320 44647.8229 53403.1937 FA 17:1 6016.7809 12833.5884 6270.2181 7193.8267 4933.2129 8719.2699 5830.4655 10282.2475 9783.9644 14972.0042 7719.1517 6247.0209 18267.4737 12779.7683 13873.0277 6430.5894 7539.0821 5010.8890 16713.1806 12161.6799 8999.5024 35927.7030 48983.6704 32174.2468 30178.4560 24812.6643 25754.8451 24971.4465 7164.5578 10529.9733 22760.7017 10455.0988 32204.9654 24500.9302 12171.2875 28516.6824 29458.6008 26106.2259 6295.1098 6669.7666 5597.6877 14058.4098 16989.6667 4177.0836 42372.6952 11639.3515 17989.4692 22508.8028 26410.8423 9667.0132 7767.7524 4972.4444 29544.1712 6057.5800 7118.8675 5875.7861 3150.6431 7626.9581 13497.4844 7167.1289 FA 18:2 (linoleic acid) 5740.5410 8904.7165 3406.1586 3499.0662 4733.0172 4944.5311 6016.6092 7771.0827 4183.6464 17883.2937 7212.0318 6052.9702 6958.6904 9421.6406 9256.8651 3956.1159 8231.1472 3272.0854 12842.1180 8290.0012 6134.3800 17888.9224 29065.4542 25041.2111 22861.3866 19765.8001 10953.4222 12565.0673 4963.0048 9813.6875 11115.8191 6098.0716 18627.5714 13472.3365 6684.0861 14311.0309 20598.3020 15082.1066 5031.2384 7094.6965 5363.0928 15155.7882 7993.2242 4875.3703 23331.3931 9550.3437 14445.8339 11051.8245 15520.9066 5500.2834 6109.3919 3010.5661 16375.2996 7664.4113 4065.6796 4636.1525 4486.1893 5487.7796 9232.4563 6400.0891 FA 18:3 (linolenic acid) 41862.0612 56084.2757 17420.1836 13466.3731 14831.4800 33377.5659 23593.6901 52962.4240 14930.5334 74795.4215 35530.3784 23483.9334 50329.6364 92157.1503 40121.1334 15525.4451 47631.8827 16249.6475 55679.9754 45334.1930 25124.7198 213405.0722 225787.1339 285814.5592 148818.0980 122303.0480 114265.2774 99479.0983 32438.4261 56072.7889 70306.7325 49254.4605 168427.8710 84884.2063 52336.2169 131898.5140 177472.2409 102139.1602 28146.0745 57874.6675 27001.7503 209381.8347 66463.8804 37015.2992 166097.2121 46981.6066 132613.4248 71915.2533 153950.5456 65748.1116 21146.3382 14809.3030 174378.2282 29471.8836 26168.3222 30763.4772 36777.2689 15006.0978 44755.2182 28378.2543 FA 20:1 (eicosenoic acid) 22677.1654 35792.5501 11602.1353 18360.6744 11928.4275 16621.8404 12751.4983 31239.0483 12379.4437 35492.3852 14215.0263 14041.4380 23938.0094 21020.8721 31583.7347 8038.9580 18211.5575 9619.3536 25915.9516 32764.4607 22624.9172 80865.5556 82033.4319 77417.9497 57076.0884 64807.8091 38507.6227 31694.8863 15676.4666 20111.9013 39494.2573 18934.5796 56314.3599 29226.3857 26674.4025 55280.5121 74552.1119 63054.7474 16882.4961 20490.9634 21005.1270 58103.0138 28646.6608 16507.8804 132830.4912 57667.8837 39292.5953 36070.9699 78450.5683 14633.4522 20332.0676 10130.3745 39206.0212 11184.6500 15766.8012 11097.3274 12642.4292 17395.0058 33111.4137 22715.0957 FA 20:2 7259.9246 16951.9553 5282.4308 8681.1062 7505.7742 11181.6408 6074.6224 15668.5624 5107.4018 18405.1072 6789.8348 5961.1918 7107.1281 8314.9753 10437.9387 4399.5733 12337.3058 4476.9707 14930.9155 15592.7563 13835.1512 33177.8870 42569.9112 26953.9220 15287.4897 23176.1374 12805.6995 11482.6763 5774.5788 9691.8599 20478.0884 9784.5975 33761.4271 9498.7825 7909.0477 32597.6401 38962.4884 22178.1040 8324.8308 16499.6071 11867.3690 26342.4476 11404.4503 7522.7596 56503.8318 15919.9223 21117.5417 13361.6779 44549.3060 6318.6440 10411.8867 3999.1539 31927.1506 7305.0986 8184.3750 7435.7293 4909.2094 7492.2742 10252.1147 16702.8886 FA 20:3 (eicosatrienoic acid) 7887.1431 15361.0146 6675.8126 8083.2541 8490.6600 10856.9693 7895.2186 11194.2460 6672.3487 16625.0329 4529.4315 5994.9778 6907.9754 8622.2807 9702.6885 6368.5627 10466.7389 7511.9209 12843.3734 13063.6905 8987.7912 13763.8638 15795.9357 11442.0997 6002.9450 9015.2872 7970.3119 7541.4699 5741.0853 6534.8411 20557.5405 10359.7176 17092.5105 9565.0659 7654.5697 17231.5211 31741.6845 9460.6597 5289.4025 11111.2759 11537.1819 17041.0965 7394.9513 4756.4917 17014.1469 7930.3498 8672.4040 10949.3903 19858.0282 6114.8871 12333.0564 4591.2814 20456.8526 5702.8479 6189.8147 5494.7254 6084.5032 4879.4061 6772.2548 13892.1298 FA 20:5 (eicosapentaenoic acid) 8784.5348 8022.1980 4935.0556 2039.8027 2972.2251 7175.1279 3308.3253 3902.7673 5615.7049 5173.6999 2706.0155 3904.9793 3770.4349 3482.7947 3834.4115 2849.6253 1667.4129 5954.2916 6709.1807 4221.4095 2565.8110 19289.0316 4325.8182 6147.1988 1987.2728 2546.8810 2020.7798 5043.1617 4577.9484 4851.0977 4983.0514 3982.4001 8285.6957 3626.2555 4244.1389 8396.3934 14137.4641 3539.5055 3715.0530 3824.7998 3854.7647 68181.2093 2503.9867 2392.0867 2094.6300 4707.5261 1870.4946 4537.4744 4230.0244 3812.5428 2653.1152 1874.2212 11563.1069 3114.4948 4862.0433 4194.7727 4098.4607 1910.2028 7145.9140 3388.8321 FA 22:0 (behenic acid) 37096.2426 20981.1332 15893.8677 16612.4471 10961.1093 11440.4854 12274.5786 17424.9204 12760.6710 11367.3537 11330.0472 15752.3582 14777.6952 22651.9547 21567.3394 8724.1375 14478.1710 13536.8133 10383.3734 15319.5760 10458.0755 27389.2959 12355.3790 15865.1708 12605.7190 32854.2852 23625.4362 9382.9105 16283.9164 11326.7447 17229.8979 18625.7712 13098.9057 13350.5858 12416.1827 11796.8442 9031.2211 15701.4983 13514.1203 14337.3723 18770.3124 20924.3289 15917.0867 12559.8872 19035.6659 60809.4481 16315.5475 11020.4972 11867.1547 17392.3428 7139.8360 14486.2317 14466.7001 8512.9084 8773.7429 8298.7427 12559.7990 13330.6298 20509.9487 21720.6137 FA 22:2 (docosadienoic acid) 645.4618 1110.0427 839.3282 1078.0939 1208.8732 1425.8768 735.7260 1497.0754 1555.3727 1142.6929 1164.3413 497.3291 981.5888 1778.8256 1181.6288 589.2543 2143.4476 340.6487 902.0000 1519.6731 1437.2800 3941.9405 3369.5763 3930.3364 2758.5922 2316.6545 2707.3714 1491.1887 2909.3646 1042.0041 1702.1453 1356.1125 4095.0704 2605.3067 2253.0351 2297.8835 2649.8216 2904.1328 888.4320 1472.0002 1246.1899 1965.3669 2203.6643 660.5443 2651.4921 1486.0798 1904.6811 1369.2084 3819.6822 773.6226 779.8437 817.3602 2203.5488 570.4833 1108.0891 790.8369 891.4346 1249.8668 1436.8085 1192.8885 FA 22:4 4608.5796 10625.5555 4971.9279 6932.8789 6133.3023 7291.1617 4864.4183 12012.6773 3182.9871 11627.1871 3587.1775 4808.4154 4029.1208 5280.3343 8162.2576 2643.3502 6043.8337 4479.6182 10149.2288 9205.6623 7461.0804 10561.1211 10679.7625 8459.0569 4281.8318 8745.7303 3957.9987 4156.4775 3098.1460 4529.7583 15970.8151 4694.4536 17755.4844 6708.4346 4355.9389 14894.0369 35994.8809 9564.5571 4694.4449 9588.2584 8632.3103 14737.2827 3746.2293 3808.6297 17954.8416 9127.2018 5386.8290 7816.4105 15406.8212 4208.0709 9091.6906 2103.5305 16854.0989 4724.0255 3128.7791 4372.4976 5523.5896 5261.1388 5937.2409 10235.0814 FA 22:5 5681.4535 11536.7306 4623.5824 5784.9539 6844.7917 8830.8408 4060.3284 9510.0362 4450.2633 11042.9208 4244.8147 4217.8372 4559.9583 4141.7284 7700.1937 2729.1779 5279.4234 4285.4662 10018.8192 6722.1265 6788.2204 17263.6295 15510.4190 10088.1889 4149.1400 7257.8914 3200.3804 5912.3914 3114.8928 6151.4888 11345.7658 5422.5614 17878.6222 5902.9069 3843.7886 17033.5175 48647.7387 8136.9665 4865.4952 9094.5906 6312.2861 35677.4454 5261.4923 3411.5395 15677.4342 6025.5784 4936.2986 7604.1591 16386.8761 4673.3341 6529.1331 2008.7493 21290.3651 3881.5368 3529.4331 4035.6740 5586.7775 3903.5249 6705.5299 9572.5017 FA 22:6 (docosahexaenoic acid) 15088.8632 29315.4930 13505.9063 20302.4686 23953.4770 26074.1314 9570.1346 32331.4174 10080.7647 28733.1272 9030.1138 17852.4924 15051.2644 27325.5579 22353.5670 9730.9906 13860.1005 9198.3966 38703.0117 35144.0506 10168.4901 80095.4459 28946.4550 53608.6519 13089.1516 23091.7210 15462.9343 25837.1854 15347.6216 32020.2515 30490.9276 12171.0155 43898.1301 17466.6021 10892.5091 45651.2859 83542.4060 35359.0907 16538.6792 22357.5978 6479.8004 137124.4189 11730.1246 21359.8265 25161.1486 20674.2758 22880.5927 17191.8259 49987.2704 23311.1002 19682.4473 7265.5372 39963.5188 11140.9703 13241.9065 18220.2920 16238.3036 12197.7456 34036.0295 16892.7220 FA 24:1 (nervonic acid) 8163.3973 10775.0075 7275.4713 7865.1851 7437.6996 7579.0148 6399.3510 10193.1895 5755.8364 9137.2364 6417.5331 6536.9043 8375.0431 8516.8907 10675.8330 4069.2447 6353.7297 6399.9589 9272.9156 8624.9393 4955.9545 19190.9199 11706.1872 15799.4729 11366.4864 12663.4185 18187.0179 10655.3372 11596.3529 9412.8020 9152.8867 9101.8193 17114.1828 10244.4710 13706.6735 12697.2394 11821.4784 15174.0190 7718.4317 8838.0034 7681.4490 19646.7415 12401.9497 11964.2519 9431.3182 13949.0417 11077.6744 11426.2876 18041.6497 6945.1693 8125.4926 6724.3673 9538.1048 7025.1514 8473.7363 9517.9819 9109.7427 9541.7787 14009.6771 9107.1037 fructose 254198.2243 30571.2628 153872.8301 39533.7960 26248.9964 220803.5492 158322.2433 47401.9681 190210.9244 13712.8973 62263.9158 168142.2864 76519.7605 45127.5147 80314.2836 32190.2302 69942.8303 182968.3508 105369.7799 13615.4133 101605.4314 118924.7582 94582.1813 97033.7472 121387.5799 80312.8764 104377.1894 125890.3066 132935.4633 46819.6985 53457.6297 110351.3032 157303.7506 226834.4293 110765.0517 108510.9590 31025.2120 79103.2982 62746.8964 43558.4147 128900.9518 56243.9943 193457.9528 104666.0238 102044.8052 402350.7854 94401.7011 109531.6102 69591.3314 344487.4238 146681.6094 169656.4434 103165.7009 61849.1570 140200.9112 106748.5136 43313.4555 56618.4183 96031.7520 110007.2023 fucose 1859.8736 2496.2920 1054.3136 2203.2749 1549.2267 2055.9436 4442.6468 2252.6280 4013.0828 2165.8431 3791.2906 516.4435 1942.1817 147.3025 1198.1809 1404.1496 2483.2146 2033.0044 2046.6740 1698.5400 4641.9206 1848.2740 2402.2791 1339.2842 3894.6862 1906.0648 2585.0890 1148.8733 1757.9209 1707.8822 5961.8814 2563.5343 1531.3267 344.5059 2060.7823 655.3931 2046.1122 1302.3098 639.1511 2930.5742 2563.1481 2476.1118 2713.4258 2009.2746 11096.7895 2779.8857 2833.3940 229.4420 1594.0008 387.2103 2800.4689 2590.5111 1408.1901 2264.6469 2322.8388 244.1491 3677.9249 2133.7860 3702.0020 925.5681 fumaric acid 3642.9263 4131.1648 1637.8940 3755.5592 3417.6703 4137.8739 4987.4357 4192.1989 4692.2048 3516.1761 6936.0044 5144.2221 3705.4388 5674.5156 5056.5972 3901.8767 3253.3255 3699.2507 4863.4324 4131.7246 4769.2839 6011.8378 8173.4995 7682.0412 8997.1990 5479.4511 7676.1414 7031.3059 8363.7669 4765.7953 4638.5926 6148.4373 8893.4744 20384.6398 7220.7256 6627.7505 5362.4316 4903.6972 5139.7123 6034.0493 3484.1679 4896.6038 7359.8766 5732.8388 4954.5389 9866.9693 8356.7958 7828.9593 8150.5168 6274.2605 5192.1029 5349.6354 7679.9610 5687.3876 7260.3704 6813.4405 4361.3297 5100.4844 6454.2705 6522.4257 Galactonic acid 12377.5019 10226.9055 10062.7967 11335.9392 9133.6974 10980.1836 7050.3443 11704.0971 15778.1270 9072.3842 12992.5278 15123.0543 6472.7072 13535.4454 10319.6462 12028.2583 9385.6852 18416.6797 6153.2538 6470.6946 15197.6326 32220.3436 29734.1378 19465.1378 11415.6587 7200.3924 9024.9724 9019.5585 14834.9004 11938.9000 36908.8882 29054.4466 13218.8656 8366.3620 10126.6249 14744.0759 20597.1881 38882.3795 26099.5461 18230.8183 4807.8458 52526.1478 21854.5414 17925.8680 22831.4570 15628.4479 11201.3560 8414.3515 12716.2086 10242.0895 18190.9909 21016.7165 9123.0408 265.7656 14288.5957 9750.8233 11934.9160 21050.3801 33216.1008 9979.2675 Galactosamine 690.2379 1327.8212 756.2136 1006.2461 1817.4608 685.2059 416.7209 767.9972 839.3915 627.0715 865.1021 689.9415 499.1048 789.4877 762.6819 684.0812 607.9740 650.0747 451.1418 495.4614 1266.6419 871.1528 993.8207 428.4410 522.7050 883.1171 756.1632 640.8931 826.5246 744.7315 3162.3209 584.5450 885.8944 464.2810 1287.4494 549.0218 650.5751 622.0866 747.8967 521.3509 702.3530 723.0916 853.2120 390.7455 3092.8222 712.6950 600.3303 481.0733 443.9770 751.0307 1786.6152 727.7717 590.6576 1262.0235 704.2822 1180.1165 572.4863 594.5136 726.3686 673.3798 Galactose 43216.7184 56085.9145 52217.4075 57817.9088 47223.8252 66520.4662 30442.8011 64216.8385 68490.8313 52173.4732 66915.4506 51418.6164 30715.2011 50309.4567 49816.7342 46186.6444 68863.7432 58509.2487 29348.1875 32105.7424 83741.1703 71894.0349 44216.4290 36254.8252 36434.9709 30019.3417 45167.6135 40964.4555 52607.3769 57864.4141 99433.1738 47124.1405 48033.0369 31607.3936 40367.9269 41118.8952 42986.2230 69592.5050 59725.1871 46094.7381 35237.7446 60295.5086 48922.4720 38852.4612 90822.5517 47433.9136 52259.5255 39215.1326 39506.0953 52630.8070 69062.6462 53419.1809 47334.7797 42301.7497 52559.0759 33316.4723 35604.4239 49973.6254 52517.5051 61230.3932 gamma-Glutamylglutamine 611.9536 423.6062 509.8713 1075.5286 450.0158 413.7775 430.4160 1205.1417 756.9392 422.7343 773.1267 608.7719 373.8681 454.6989 249.2723 575.4808 980.2030 287.8001 260.0785 265.7049 1082.4407 523.7857 270.3843 211.2860 256.2587 243.0232 591.3926 399.9700 396.5495 1378.3636 492.5808 184.5370 453.8144 33.4952 140.5384 761.0578 967.3157 594.5839 422.1006 700.6225 381.8749 148.4920 309.6192 278.0305 439.7202 261.3512 734.0578 502.8304 317.2668 953.1910 554.6034 205.6478 869.3147 223.6497 155.9098 771.5660 617.5134 731.3876 244.2283 1296.5822 gamma-Glutamylleucine 675.9176 667.2637 810.6380 981.5023 820.0031 1036.2533 307.8126 962.6163 1190.8275 874.5257 1642.2278 705.0159 809.4337 494.9886 691.7879 997.7030 817.5252 1045.1687 640.7521 619.7175 494.6526 1125.5239 469.3293 539.9530 470.1994 326.0229 540.6255 655.0097 867.5469 710.5471 478.2338 366.9407 562.4864 348.9086 324.3193 789.4555 649.5696 746.5040 1418.9547 783.8557 365.6823 914.1944 624.5160 819.0627 246.0955 584.2494 660.9406 506.0537 576.5808 401.1782 483.2972 453.1641 613.2836 707.2560 567.1891 632.4311 386.8648 756.4638 825.3232 1092.8623 GlcCerd14:14E/20:02OH 43715.9177 19225.0721 21233.5863 15362.8383 13542.4544 31885.8623 24943.0636 25796.3676 20347.7912 39593.0161 15410.9917 41207.3635 36133.0984 24628.7559 16708.1525 25974.7923 14559.0883 20348.0217 16337.7589 19383.7780 21574.1058 42308.9963 32855.9610 29721.2268 40990.8961 30705.5043 18521.2613 38901.8134 9836.4233 51835.2427 26429.5211 23854.7372 35682.3766 7590.3723 19324.3546 12615.9537 56094.8448 40148.3624 39139.0617 13254.0041 40860.8930 32907.5250 16515.7814 17046.2431 18142.4932 7240.3350 13342.5356 28218.2041 13017.0063 30743.3249 30592.7754 9323.2058 25942.3014 13647.2584 12443.5017 20685.1575 70281.4076 32882.1176 27578.9702 21005.3705 GlcCer d34:1 53615.8939 58469.4815 44640.6153 97573.6248 70373.7696 39872.1110 43831.8512 62399.1846 49161.7884 35383.2839 32620.2438 37747.6829 25356.8836 51851.8786 59738.9160 43928.6575 39689.9358 50752.2391 52256.7225 42931.4086 89428.6290 88616.3810 60372.4396 38341.8653 42012.8555 56011.2371 67138.3535 26395.7266 48599.0257 62529.6441 46491.6542 52946.9396 52686.2280 30136.8622 63354.3679 40858.5574 55292.3549 65382.4493 20379.0165 112997.3999 92280.0262 68998.6278 54149.6872 39711.8855 51545.6879 43129.3683 56592.2281 39908.0683 38380.0240 56818.7638 52909.6276 54835.4928 45768.0534 34358.0535 62871.7166 51396.6367 88847.9402 50784.3046 22516.7781 108476.9212 GlcCer d38:1 8435.3078 10525.5191 8411.7179 11636.0636 6290.3131 8753.8569 8796.1574 6131.4707 6340.7331 6499.4246 6372.9719 7051.1263 6230.4311 8217.4649 4570.9689 6631.8158 4787.8939 4173.3874 6121.3493 6959.2264 8481.0169 14310.8702 7538.2805 9870.6754 6391.7087 9419.1429 8743.2497 7472.2341 4718.0120 13114.7825 7911.5638 7596.4967 7979.3289 4123.3812 6215.0123 8102.5144 14610.9332 12250.9050 5613.7689 6501.7095 11808.3033 11617.0402 8089.2031 8280.6674 11346.8263 8909.5923 8877.5235 4400.0724 7687.7714 10851.4185 8049.1548 4503.6343 6408.2346 3549.9682 4561.0689 7592.4998 17227.9224 8248.0434 4192.8626 8399.2088 GlcCer d40:1 8905.5654 10939.3505 10428.2424 17345.7333 7354.9715 9063.3005 8390.0652 7582.4867 9547.8738 7570.8921 7008.0249 9167.5913 8541.1930 9663.0586 6680.2797 9603.7726 7358.3389 7039.4032 8211.3365 8083.3990 12352.2882 18112.1801 9223.6967 9363.0434 6395.0594 11872.6242 10371.4526 8185.3680 9296.7682 15158.7995 9784.3900 6880.7897 8288.4336 6207.0471 8708.0152 7597.9670 18289.4077 19739.0173 6382.3108 11339.9893 18474.3607 14227.8589 9001.5316 8724.4361 10823.8568 9906.6958 11488.2384 6385.4373 8286.7502 12807.3760 10723.8229 5079.8984 7369.8840 5886.8219 7554.6352 9537.9166 22573.9630 12862.1578 5614.2510 10636.5802 GlcCer d41:1 27945.9751 27810.1257 30854.2861 25499.3713 14811.7164 27560.2565 28022.6953 19480.0172 25901.6989 21338.6410 18052.3215 20668.8886 22193.8289 21049.4358 15873.5618 21129.4917 17308.5549 21844.7578 22608.2890 17945.7154 21561.3300 50925.3552 21017.3833 29502.8255 15785.6658 26175.7973 29183.6251 21706.8895 17410.5149 40796.0123 22463.4572 24141.8250 26692.3328 12476.0128 26660.5606 21592.8102 46423.2368 46368.2217 16562.7063 25337.6105 36166.6204 37745.7318 21066.4457 24831.5023 31253.7315 22415.1515 28979.2353 16326.7813 24822.3490 35003.6971 23951.3807 13846.2040 20678.7101 13148.9128 18740.7381 27048.3289 52577.1461 29471.1511 14342.0304 26652.6076 GlcCer d42:1 8645.8484 10202.0519 11575.6296 15556.9399 7937.6057 8402.5185 8825.1164 7225.9589 9474.7595 8286.8506 6315.2788 8425.1189 7908.4071 9487.9397 6458.3582 9313.3705 7447.0047 7029.1441 8254.0741 8649.6620 11286.8600 18366.4018 8449.6822 9994.8500 5929.1673 10865.3527 10712.0551 7680.3272 11034.2186 13487.7381 10801.7508 7596.6022 8376.9393 5174.4406 10485.8934 7625.8775 21773.1792 18037.7758 5851.7225 10779.2269 16662.7281 14278.6063 8205.4563 9417.5635 10326.1578 9905.0170 11141.3706 6679.5533 11441.2557 11434.5647 11250.4852 5555.3664 8021.4213 5342.9997 9004.1351 9888.8302 24390.1173 11913.3567 5342.8855 10066.4308 GlcCer d42:2 7645.4074 9212.3918 8996.4254 12471.4412 10154.5455 9397.2067 8207.3913 8701.0509 8519.7329 8080.7469 4873.6748 5238.7364 7616.9950 9478.1188 6091.4081 7146.5783 7535.0141 6843.1514 11572.3821 8321.5151 15343.2085 15649.3842 11006.1687 13194.7452 9171.7304 9538.2491 12149.7959 7345.9016 10415.6195 14324.1351 10866.8300 6160.7312 8750.4746 4944.9094 12375.0150 7689.2348 22479.2455 14429.5042 4020.8876 13692.4782 12134.3209 10994.7550 10156.9399 13025.5261 8264.1858 7667.3881 9909.3573 6253.6386 10435.0815 10407.1594 11566.0552 6455.8732 5753.3988 5517.3974 11358.3715 9153.8117 33438.1044 10646.0483 4741.0321 12469.3919 gluconic acid 34747.2907 31541.0299 23041.2131 21801.6219 17451.4972 26954.1507 33424.0586 22060.1505 36670.6324 27550.9659 34121.6150 36562.3820 22226.6354 52137.3804 34353.3918 35779.5117 24644.5953 37449.1666 40108.3192 23110.5645 41781.4957 55464.0518 80551.2055 80257.3286 44050.3832 34858.4708 28159.0395 25138.1531 47805.9001 49157.0068 88025.0084 60057.4906 44978.1360 35312.8841 48595.1237 56643.1256 40616.6749 70515.0660 77775.6109 61787.8099 26126.1593 46875.1452 43536.4197 34873.7764 134668.9925 49948.3319 53541.6552 33389.7933 48566.3550 38682.6225 56094.5098 40182.6212 27774.2811 25264.5391 35460.2728 41122.8151 45320.8354 74293.0341 65607.9734 71966.9603 Gluconolactone 11036.2397 9847.6791 12147.3255 12358.3110 14631.5325 7286.9963 5690.7948 9533.6027 9667.3872 13444.5505 12893.7969 9993.1468 7038.6144 9617.0721 6403.2488 7200.0722 6352.3228 5752.4067 5805.9528 8304.7762 10928.3715 8506.9689 17321.2307 11189.7257 8851.9966 6577.3160 12371.4467 12089.7941 9932.8669 12314.9528 9505.7815 9899.3348 6848.5234 7502.2624 15377.7008 10075.3923 8241.4189 12822.0842 11367.7591 10149.3352 10175.6757 7303.0859 14936.1730 5039.9692 14162.5933 10815.7409 8895.6762 7919.9742 8136.0851 10182.1886 13241.3434 10217.5721 6027.0073 8634.3677 9942.2150 10490.6109 6888.6225 12416.6779 11695.3112 15999.0184 glucose 770978.2554 740820.5024 667879.2084 734340.5136 428370.4621 976806.1085 1049265.3420 591394.3373 941737.7334 972171.4947 824915.3018 892717.5979 782369.3701 1250655.9300 982379.3680 823420.4245 517156.1600 800783.0570 746141.0193 788432.0474 909566.9719 732546.7876 680231.6608 781583.0509 843463.2117 373065.6071 659472.7004 369972.4612 879503.2472 1028542.1560 924570.1419 498878.9439 626228.6256 376515.0136 722925.2264 976211.5795 769946.3225 631798.5626 829587.4882 1073172.9560 958369.5349 535605.4413 548083.4571 641921.0219 2090967.9440 810555.7756 863799.4464 612955.2428 794481.6807 800535.0201 1168603.2830 610150.6324 563880.5252 579420.3634 773762.1831 863784.7155 883898.4231 869950.9452 732081.9028 601606.1188 glucose-1-phosphate 11612.0804 15178.3563 14274.6113 12513.1479 9863.5077 12102.7815 19283.7818 21165.4197 12400.3377 15190.2981 11228.9493 15978.4189 9896.8302 13685.6532 13502.5024 13050.0933 18002.7820 13504.6658 14933.5406 9480.5625 15598.3268 17720.8714 14411.6919 13238.6211 12487.5961 12047.8049 6723.7402 7359.8433 14158.8644 19092.5936 29707.2263 8271.0639 10597.6305 8026.7807 6328.1193 8410.3799 13498.9480 5058.9726 15241.7649 22708.3072 13695.9620 11253.7428 10823.0370 3482.2129 25916.1254 12205.6971 17195.2483 9597.6577 9211.4246 17336.2262 12450.1579 11015.4204 7731.2396 14362.0474 10416.7925 11012.4097 22216.4967 13957.4133 10721.2170 12199.1086 Glu-Gln 681.6457 783.5039 445.4213 267.2326 1079.8060 440.3172 123.9076 514.9922 250.0603 226.8330 242.6018 231.9131 116.9489 474.8438 118.9189 187.7671 129.5908 113.6053 92.9890 174.2711 211.1070 169.5808 536.2472 67.9133 91.6889 405.7027 1589.8131 244.6875 354.0078 2225.6483 2082.7081 112.0022 1177.1354 38.1473 416.7012 481.8140 319.7572 717.6915 224.3690 203.0525 701.0036 81.3478 899.8308 116.0548 2564.4188 130.2296 228.0101 51.5724 88.4025 1249.6229 1329.7276 88.6625 157.1911 538.7925 142.4693 1769.5423 215.0270 266.4341 191.5929 487.7237 Glutamic acid 8134.3025 10197.7252 9665.0673 4634.4745 3669.0545 10658.6163 5320.5098 6342.8205 6745.2615 7652.4806 9290.5312 8597.3414 8986.6739 6011.9388 13362.0223 17184.6532 6480.7248 11443.4364 5295.6089 4432.6849 12781.7916 13771.9973 15529.0710 10620.1715 11855.4630 10144.8139 12773.0876 14935.4012 8969.6498 4809.0841 6980.5403 17412.4512 10485.7437 20956.2792 9506.2472 9284.9198 2243.6435 16780.0173 16734.8127 4858.3889 6690.8536 13945.7169 13802.0747 11109.9921 3845.3781 16480.9616 6038.6333 20602.4862 9040.3476 5362.3225 10735.9533 9848.8799 10432.9376 11803.4168 12877.3661 9728.0139 2645.8258 8952.9231 14972.3609 5544.0527 Glutamine 18652.1591 12240.5815 15726.3159 16194.5523 7238.9366 12423.9800 9441.2650 21986.9236 12163.2312 16098.1420 7053.3172 15840.9941 9982.6118 11846.0491 8978.7481 9640.3384 5515.2217 12931.8890 3481.5788 7418.2742 13433.1572 12404.9526 8544.5783 10862.2131 8542.8004 2878.8788 8082.8727 5038.1211 10449.9465 14567.4824 7854.7091 11545.8174 4914.5686 2336.4091 5049.0023 6290.7143 11802.3005 9165.7352 7429.8345 17311.5615 7934.1024 10748.0426 5812.7345 9045.0805 5208.6024 10051.1081 11752.7175 5060.4048 9260.7321 12003.1959 9498.5420 6855.4484 8147.8863 9102.1081 7772.7928 8866.0814 13418.7765 16001.8786 11084.9962 9014.0039 glutaric acid 348.7263 455.9192 353.5873 255.3498 373.8840 245.8737 528.3095 348.6092 327.8183 340.4281 233.0919 319.3662 288.8783 311.9347 369.4228 262.0135 429.5856 265.6187 582.2350 370.9695 410.5100 581.7908 535.3821 836.0380 298.4279 486.2212 631.0744 311.4051 251.4100 481.3836 496.7391 266.9716 441.2461 363.0721 406.3655 414.9826 428.3954 130.2310 429.1588 321.5181 248.8691 221.4493 361.6491 420.1301 624.8525 309.2044 382.7000 283.3110 250.1842 236.6862 422.6936 450.2738 294.8521 418.6389 121.9390 519.9289 401.0866 402.2309 316.2514 351.6350 Glyceraldehyde 17587.2225 23553.1781 25515.0474 28235.9243 17977.4362 23873.6358 14162.6424 28848.5483 47378.9863 18411.9064 24817.3677 22115.2347 23313.3487 20801.9939 22048.0242 21237.9803 25252.2909 27174.3853 22396.5363 20307.6655 40753.9948 30085.5407 16852.4495 16436.7058 17025.1380 21436.5058 28915.8942 30567.1181 26859.0096 23949.8314 59871.2836 19254.7843 19806.1294 16698.2983 17622.3323 19944.6378 29244.7090 25481.9784 25524.7926 20027.1924 15581.3065 39152.8271 31827.4462 15071.2550 37821.1134 16278.7041 19050.8675 15108.2815 18296.3709 20554.3591 28868.4264 23495.5733 22105.6005 29318.4469 24128.3859 23382.8764 16110.4826 20521.6914 23431.1784 37446.3384 Glyceric Acid 7831.6577 4964.2170 4696.2938 5352.2396 5086.4171 9169.9902 6486.6992 5737.3905 6899.8271 4291.7208 8193.5419 7520.0828 5036.1191 8430.7442 6403.9569 6515.5857 10428.2849 7952.0405 6970.9894 4380.6210 16804.9374 14122.9533 14275.3904 12087.9805 10901.3729 6288.5834 9802.8111 7572.8345 11541.1646 11301.8141 16904.3481 14014.9203 11036.1994 8635.7862 12015.7645 10514.9402 7895.2543 14559.9517 15585.9409 11147.5152 6001.6071 13824.9393 11817.2290 7063.2824 16425.5325 12905.0744 13278.5511 9370.8550 10925.3126 11673.0661 13384.2107 10759.1801 6330.4867 4441.5309 7343.1899 7622.3208 8460.9105 12613.2577 12390.6754 34009.9053 glycerol 100007.6273 138461.0662 73172.1607 68224.8152 108057.3435 104167.4778 160163.0869 169545.5591 121222.3034 196040.0952 162840.0336 155230.1878 179524.3623 112911.6932 124974.3770 87430.5672 105661.3054 59995.0830 174258.4072 194639.1371 248116.4448 65479.1641 211953.7923 185864.8136 133776.3721 124303.7658 102198.3424 171501.5827 116738.0343 166970.4861 253695.0995 102916.5481 116466.7623 127021.5868 95550.8072 58196.3175 324413.1337 94110.9158 85436.2492 115611.4907 216466.1685 72204.8216 72417.5908 104863.6737 289577.3011 43887.3343 176916.4763 239852.6588 150415.6184 147853.0950 270278.4067 33883.5788 228039.0264 87886.8106 32754.6254 54138.8290 165419.0049 86565.0017 129210.7365 135644.2257 glycerol-3-galactoside 4369.6922 1068.4602 2317.1256 1960.0366 4555.9175 1068.4510 2391.4487 1592.9368 2746.8235 2397.2204 4627.3811 1283.5289 3204.6498 3161.7084 1680.9716 5035.9197 2497.8834 2450.8430 3020.3440 3491.9065 812.5993 926.1159 1450.4888 10776.8893 2471.1043 2270.9734 1560.3169 1452.2161 2763.5609 6196.2202 748.6496 2466.4537 429.6598 750.8990 1321.9359 653.3980 2070.0784 688.2206 1518.8757 1512.3977 1626.8290 2015.7033 854.4225 2427.4182 2413.8002 2977.8159 2568.8362 1644.9992 697.7712 1410.7743 904.7821 1355.6114 870.7506 521.7208 1479.2605 1495.5368 2623.6124 2803.8439 856.7183 594.1420 glycerol-alpha-phosphate 498.3248 1242.2459 926.4203 991.1204 665.7672 655.6631 1777.8342 734.7458 1108.7107 666.6321 996.2145 2591.3135 1175.5047 713.4062 2032.8029 880.1226 611.8976 1187.1111 360.9464 1233.7861 1032.5905 1266.4833 1380.0960 1197.8187 1848.0352 363.9380 859.7664 504.8996 1761.8188 2246.1298 820.4795 2980.1718 756.0081 2070.1296 2808.6146 1645.9645 614.1332 1663.9512 527.0193 866.4475 893.4810 937.2969 535.0715 567.1259 589.4278 1101.9100 2193.2045 3678.0547 728.3845 1041.2117 1720.4719 3589.7356 1217.8675 684.7585 851.5743 1457.9754 1423.2732 939.8469 1781.9740 641.6329 Glycine 164824.2222 218551.5957 157524.7748 212262.2698 100462.5207 257372.7596 179901.5058 197603.1710 353040.7055 132737.5456 131633.0810 168759.7952 272092.3613 144353.5547 123281.6777 190515.1766 236728.9347 356879.1052 156999.8607 147862.5960 144972.1272 139893.9613 103004.5342 150650.3366 149951.9728 179860.1209 246655.5079 133486.9791 220537.2247 212144.0685 95119.9811 190649.0853 234362.5054 261669.7498 286256.0406 131386.8731 166518.9805 170453.3173 181890.9732 196515.5418 159316.0238 95895.7733 122062.9196 214403.4051 94463.9179 157934.5320 178965.2847 186519.3697 198642.0606 151695.0934 129016.5806 197919.2646 197972.9850 127161.0253 254552.7447 194516.6582 248799.2565 209907.6453 173664.1333 221620.0025 GLYCOCHOLATE 16895.0752 3169.7819 2585.1620 5451.8741 4734.4448 5271.7427 7844.0053 13379.3189 13387.0102 2279.5783 10250.5939 20244.8554 37766.2068 7503.4907 22517.9826 8792.5746 25512.8512 6852.9235 1818.3701 2733.6340 4586.4025 10415.5406 7680.1810 7581.1413 2389.3968 1071.0285 13558.3890 14502.4412 7551.1527 9127.2335 2201.0710 9464.7222 878.9394 2014.3654 3610.7550 2463.0255 3213.6601 7732.2095 1030.6631 3240.6075 4297.1049 13884.6497 8562.9059 12957.2215 2851.1608 10234.6219 37030.9536 7166.9452 1544.0970 15777.9295 15260.8363 6376.3144 2632.9517 7509.6933 6350.6363 3594.7386 2391.0265 9029.5024 5015.1017 4766.8464 Glycolic acid 7000.4804 8054.8618 6776.1881 7289.9335 6281.8475 7311.0067 7911.2399 6815.7438 9496.6134 6001.2000 8280.5335 8282.9175 4947.0367 9194.1307 7892.5169 7079.9913 7803.9259 10119.0631 7936.4193 5229.1292 11454.9527 13187.9778 16472.2599 12738.9513 11377.5944 5754.3638 8371.1985 6881.5183 11642.2764 11174.9011 12394.5881 15661.9995 9864.7482 8784.8020 9799.1386 9981.6321 7719.8149 16556.4936 15089.4670 10531.5082 4627.9112 14615.3754 12159.2962 7684.7528 22163.1418 14704.7787 11408.7624 8509.0415 9936.4386 8886.8181 10202.3648 13149.3561 6517.0530 6898.9184 9555.6024 7737.5666 7703.5137 15066.4998 14962.3013 18365.5415 Guanosine 296.9073 68.1794 177.5956 273.8309 241.2456 277.4601 161.7321 74.8535 163.5529 144.3483 126.6328 199.4453 53.4097 67.1496 276.7152 116.7201 146.1343 172.9325 44.3151 139.1043 1005.8627 356.9401 349.0580 134.9882 394.9675 69.7198 209.3031 229.6298 54.6965 317.4265 208.0317 642.1462 54.7707 707.1213 112.0376 71.9408 79.4365 382.4196 247.9329 147.2588 244.2380 158.8219 202.3080 227.1000 654.7767 122.2018 76.0034 1085.4368 194.4855 181.2110 485.9382 275.8390 247.6951 82.7794 201.6075 32.2540 117.6216 249.7166 240.0175 186.6597 heptadecanoic acid 9152.8019 23231.4993 10076.7020 8147.9789 16329.8454 2593.6674 13455.8978 12892.6164 10023.4106 11693.0874 14062.5361 16205.8157 11018.3577 12336.8245 23939.1861 1632.7791 13508.8970 9601.0930 32208.8067 13066.2534 12808.9641 18759.7835 26288.2507 20758.3249 29301.3890 17296.2767 10111.6639 11638.8923 13956.1773 15876.8338 29139.6690 10161.1016 18240.7467 13800.8643 10461.6652 5719.9761 19188.9174 14580.8607 9975.6495 8757.7251 8130.0650 11105.4233 11750.4237 8133.4403 25334.5698 14313.9986 15273.6700 9028.0431 13566.9527 8188.5121 18796.5015 7014.6902 18628.9346 13350.1616 9027.4870 9673.0493 11907.0142 13434.5131 19791.6603 5107.8020 Histamine 364.6900 221.3035 359.4879 333.2159 214.5694 236.4443 144.7763 360.7940 148.6845 214.6478 534.5238 365.2632 543.3059 164.0369 204.6777 1612.7671 135.1053 265.0790 273.8815 225.8491 370.4720 194.1973 374.3783 723.5706 393.4002 306.1030 1038.4997 1108.6227 267.4050 289.3465 160.2083 578.1449 472.9407 422.4120 482.5478 271.6711 424.3318 2018.1800 468.2038 192.0767 176.0943 413.1952 282.3516 1130.4902 189.1906 427.2602 807.1749 9438.5462 255.3850 207.3976 199.3931 520.8924 677.5891 156.8453 573.9094 185.9348 279.3513 703.1769 594.7801 278.9860 Histidine 29639.1764 27349.9866 28478.3162 39283.1863 24833.2184 32099.7259 16730.7912 31568.7253 36760.2109 29213.6581 39205.5226 31899.6490 19268.9427 26234.3983 27827.0261 32198.5036 56798.0092 32676.6681 14359.5295 23514.8793 21315.5956 32190.2567 20862.9997 18421.2845 11729.9087 13969.8503 30746.1832 29367.2081 27586.7767 33376.1784 16621.0153 33359.5992 22461.2044 18512.6228 19869.9634 22948.1659 15559.5045 38426.6192 22082.4187 24205.3169 13494.4882 36678.8208 21736.6750 22132.2268 10293.1486 25380.5066 25988.3388 20253.4294 24675.1024 27846.7939 20816.1135 24899.3969 26286.6469 23441.8323 22592.1367 19701.4948 9665.1869 24310.2791 30057.9763 34277.1382 Homoarginine 3040.6744 1554.7132 4298.1003 4300.4647 2805.6399 2591.2365 1335.5939 1955.1741 1343.5671 1782.7952 2476.6715 2392.1838 1564.5369 4364.7255 3817.9832 2256.2500 5725.4334 1709.1285 2061.7396 1996.6938 1800.6183 4214.9023 1303.0897 1351.5594 705.2992 2598.2235 2969.4324 2749.9113 2087.5823 4077.7100 2205.8534 1283.2256 1907.4115 1558.4582 841.2646 2428.9483 1511.3051 3465.3500 1624.8824 3438.1721 815.0263 6064.9307 1068.7140 1999.6485 746.4159 4154.8605 2399.3972 2045.1661 820.1788 3560.3255 2671.3396 1562.6773 3386.7547 2485.5618 840.0313 1574.7535 861.0268 2724.9412 1887.5057 3526.4628 Homogentisic acid 2337.0709 4446.1891 4494.3148 7936.1472 4515.2361 3552.6962 1479.0658 6751.7879 8883.2220 5217.1599 6071.7107 1851.8262 2712.8461 1323.8068 2862.0581 2163.8888 1968.6778 2696.2322 3595.3310 4352.0892 1419.7979 1719.0565 856.3678 931.5028 684.9238 1238.3559 833.6499 844.1719 885.7791 1469.9290 3177.8635 1300.2926 514.6707 411.2469 558.2223 567.9536 1899.4380 1936.9813 1121.8451 744.5257 3237.8406 1759.9533 703.6800 3383.9564 930.4332 685.0435 752.3371 618.8682 1014.6643 1101.9307 7075.1546 975.2879 2058.9659 1148.0202 3346.6845 1610.1697 2944.2155 1231.8657 999.0201 2450.6608 Homovanillic acid 897.4047 950.0404 1526.7494 1304.8207 829.2817 1451.2372 635.1897 853.3302 1524.6918 901.7082 1471.6067 1287.1178 766.1534 900.7642 776.4033 1046.4209 1743.9618 893.6949 554.3014 611.1212 1320.4534 1466.0530 1146.6466 835.9210 553.2680 610.8780 700.0521 830.0554 1504.1532 1090.2380 1806.5281 1258.6918 838.9481 535.9235 946.4227 861.3963 922.0671 1864.9503 1061.3986 685.9880 429.1033 1554.6469 939.4128 2159.9544 1193.5264 1048.0809 993.8161 714.7606 846.6995 909.1976 1467.0580 1187.0929 1259.9109 669.4969 2714.9810 2820.0104 894.1079 1386.5019 1467.4752 1382.8872 hydrocinnamic acid 1251.3715 2935.0472 3776.6138 1972.1480 1012.3176 455.7658 15374.2915 1488.2553 6921.3690 1097.1456 1504.9630 6020.4580 1249.4736 6130.8645 3483.1296 3917.0513 1821.0240 1780.6666 4650.0118 4978.9105 724.1817 2412.2549 1170.9004 5168.1295 2245.2669 941.3864 1645.2321 752.8143 3619.1344 5055.9980 802.2691 5427.4117 1169.2539 1840.1152 1024.4005 3147.2837 2044.1150 2206.9142 1935.8020 3515.3291 775.1662 3135.3096 598.5187 6274.1412 590.4118 5108.7662 3488.7300 1540.2540 2278.0489 6299.1749 3506.2781 1541.4691 3323.2497 743.6625 1333.3334 7613.1029 1968.4394 6982.1403 2503.5755 1445.9475 hydroxycarbamate 8299.6859 17653.1932 15164.4907 12953.1973 14618.5697 10600.5533 11648.9824 19575.4456 8028.1226 18538.6309 9804.0483 17769.2954 8447.4409 21045.9640 15008.5357 7284.7847 3896.6562 9228.2053 8222.1022 12952.6700 22954.8762 15151.2956 15366.4566 7430.4182 19199.2000 5915.2063 10761.0722 8877.5654 18020.6386 18056.2954 11869.1316 15116.2567 10863.1506 6169.1307 10572.4921 9542.6040 13301.2271 12502.1740 4522.9876 14757.7770 11767.2262 9152.5498 11625.6442 9235.9093 12351.4146 13669.9869 16132.9780 6624.8877 10125.5999 15401.2127 23420.3933 7613.4585 12090.9093 5429.6828 16810.5961 11996.9138 18373.0749 21696.9251 17323.3326 8103.7730 Hypoxanthine 8803.5159 8614.7270 7746.2673 7011.8075 4163.0631 6390.4859 3823.1353 7697.8293 5985.7790 3379.9872 2222.3130 9642.8171 2086.9522 6260.4258 10184.2002 6927.9686 6756.5892 9082.6887 3008.2468 3267.4238 10150.6294 15162.8863 20610.4128 3645.6312 13797.9968 2030.0741 4277.9678 4918.4552 1634.7053 4875.8156 2004.5321 49010.3504 1688.0488 98310.6399 8767.9045 1778.0072 1133.4283 12134.0391 6972.4027 3864.7548 2737.2239 19165.5415 14156.8750 1911.9139 31786.0606 31489.3025 1244.8042 31643.0608 1176.0706 7223.8549 5567.9893 25748.8297 3576.3287 2415.0203 2945.4599 3390.4701 807.2343 9189.6220 7600.3000 6399.1324 ibuprofen 5750.4461 3670.9545 4999.6606 4414.6240 3232.1926 5041.4097 3797.0429 3879.1419 4667.7407 4929.0948 5839.4590 4273.0395 4871.9473 5092.0450 4831.8161 47889.7960 3946.9491 4622.7863 3764.8573 5767.7416 2648.3157 55684.6969 2695.7478 10938.0672 3384.5358 34677.9575 3868.4665 2504.3421 3791.6133 18807.2930 3320.3622 3340.1790 5375.0919 3554.3930 3668.2724 3991.2146 4590.5211 4548.0665 3278.3250 4919.9066 4048.2032 15396.3892 3346.8405 5931.4819 3358.4590 6007.8223 4415.6921 3942.4117 3729.5397 3986.2939 3022.2098 2842.4728 20066.7085 3101.9246 337703.1764 4329.4457 8096.6918 8622.4577 3563.9479 3514.3295 indole-3-acetate 9491.4202 7670.1709 9005.1926 11281.8170 12723.7688 11561.0598 11456.0767 6808.2495 17183.5487 10063.0154 18053.4750 18966.9188 7546.8204 13805.0356 18104.6509 11575.1293 5592.9956 7046.0458 21543.6780 8714.6564 3145.1380 5393.4377 3837.8962 19948.9566 5894.9600 8054.1915 10037.3630 4302.2280 7050.1985 22891.7001 18372.2664 4119.8575 5337.4364 3155.2200 7444.3764 24540.8322 14529.4935 7672.6082 5378.2472 14640.2432 9621.2399 4374.3956 6911.5163 15744.4493 5562.6631 7490.8219 10360.1649 9271.4511 6210.2694 14336.1248 24964.6603 3076.2319 11240.8674 3098.7690 17067.4677 14255.5402 11299.5433 6059.9524 6495.3930 6914.4786 Indole-3-carboxaldehyde 1321.2852 1236.1702 2736.9776 2154.3563 3668.5568 1768.5068 1052.5627 808.4181 1761.2353 1055.4298 2032.7901 2287.8229 3197.2172 1790.0171 1591.6839 1829.9679 1949.3770 2073.9277 1113.6881 1803.6670 633.3209 1312.8833 725.2449 1416.1190 827.5510 1486.6911 1593.3757 857.3474 1072.6587 1637.1884 2059.9920 1172.2901 932.8407 406.5948 1339.5371 1757.8164 1323.2718 1301.7981 2216.0282 991.4814 1681.3292 1441.0182 1307.9652 1692.3956 809.2330 1565.4315 1361.3260 1394.8709 1277.9073 1516.7259 3301.2106 596.0093 860.9788 722.5048 1034.9185 1858.0827 1099.9457 2335.2161 2059.0972 2583.1290 Indole-3-carboxylic acid 119.3357 136.3587 161.8412 1446.6849 983.5397 495.8092 313.0298 244.0225 1132.7054 395.5518 529.1919 71.8931 140.8912 216.7974 268.7110 298.3974 252.2885 160.3097 49.4004 296.1828 362.1933 214.7111 156.4431 1262.6851 126.9538 111.5516 489.8584 138.3426 232.4600 145.2837 170.9686 263.4719 109.5414 78.1555 190.6604 44.4897 660.6304 238.3574 358.5806 149.0881 67.4691 250.4996 255.9636 829.9168 102.7246 140.9334 668.6372 195.0080 116.8878 320.5236 253.5330 315.2446 271.5120 429.1461 192.1992 297.8751 240.7567 325.9899 246.3337 765.7061 indole-3-propionic acid 3128.4287 4626.7758 4463.3685 6588.6296 2170.0888 3074.4203 7876.1739 2884.6674 7952.7734 7836.4832 4438.8807 3694.9462 2828.8082 26347.8910 6766.8881 13728.9005 5769.0209 3629.7812 8488.6320 10773.7454 330.5132 780.6682 1659.6844 4430.6535 3629.5290 1523.6873 6765.2329 3586.7017 1409.0652 4665.7930 1655.1227 1065.8640 1922.3654 1944.2922 2748.7082 2578.6777 3971.3949 541.9612 2813.4879 5133.6044 1617.6494 1506.8850 1050.0514 9706.6933 3817.0122 3301.7912 12662.4237 991.5884 1427.2113 4133.7038 2846.9948 580.5657 4145.6800 2627.5373 1450.2750 2360.4375 1301.5843 1096.8151 1448.0986 2340.1918 Indolelactic acid 2174.7743 3092.6609 5754.6708 5516.2079 7297.6792 2828.8871 1890.5696 1534.4972 5370.2132 2228.0253 4098.9046 5901.0292 3414.5395 3227.9783 4308.5238 3164.6367 4963.0533 5246.0398 1883.7529 3727.6828 1088.6497 3096.2164 2017.4831 2693.0575 2318.0832 2941.5104 5370.6290 2104.3127 3616.0450 4467.1679 3396.6555 2596.3185 2203.8688 3638.8836 2977.8410 2589.8685 3381.5829 7848.7689 4557.0473 4308.9196 2942.3260 4082.8850 3476.1792 3822.2927 2328.6697 4057.6342 3353.7685 2821.9746 2448.7493 2156.7255 5324.1925 1794.1850 4031.0003 2508.7982 2729.7656 4738.8065 4029.4585 4445.7918 5526.7179 5467.3220 Indoxyl sulfate 228790.4603 349225.9096 287676.2519 388242.7215 253785.7265 451340.7962 155029.9696 244682.6973 546481.7072 82425.6891 486829.8978 485398.7890 327219.3372 177754.6443 310741.9849 326374.7263 274837.3484 129220.9678 340164.5125 146385.3989 49241.7371 170450.5408 91817.6357 96976.0609 90612.1339 190323.0249 256550.4059 44884.1614 83447.0747 211219.2735 176779.1200 251815.1593 97375.3545 68944.3308 237112.7999 513224.6589 120160.3194 169896.4452 374976.9688 142882.1636 252289.7832 490825.5319 169211.2895 98737.5513 15959.2579 211967.4584 66016.1337 158005.5979 109504.1775 204229.0251 257042.8210 104972.7541 525425.7005 117411.7535 212558.8222 181703.1574 99728.4085 175727.3653 343890.2826 218856.4564 Inosine 6551.4858 7001.5692 4390.7922 6298.7089 3368.5525 4870.3582 3669.2279 4719.8135 4197.8809 3932.7594 1566.4774 10034.5756 129374.2012 4292.2963 5477.7863 3083.5806 2765.3117 4085.4049 2897.6693 2785.5606 25810.0078 12260.2472 25399.9565 4517.4954 23119.2162 2538.9897 3243.1289 4225.7100 2052.1026 6189.9858 3798.1522 41127.0250 1419.9688 27887.2484 4813.5364 2959.7398 1372.8409 13786.4266 8841.5964 4002.1605 5696.5078 10761.2222 6137.7107 1981.8753 17797.2160 3916.2488 1571.4373 47278.3238 1610.1569 3571.4795 13007.3765 9888.1429 3567.0905 3122.1750 2487.7257 3949.8436 1376.6004 15271.4991 8133.7151 4144.1055 Inositol 10562.6357 9184.2123 9468.9131 6906.4649 8789.1860 11445.0936 10380.9845 5897.6323 15115.0612 7519.8919 6717.2279 8253.9941 9546.0436 11414.8024 9896.0270 10967.8657 6145.9998 7069.4785 10606.4920 7728.7077 14376.1056 17175.0934 13759.0512 11273.1858 10427.2355 6531.6186 9333.7949 9785.0434 11762.7339 11199.8302 5352.5670 15529.1210 10126.0727 6856.2250 7456.9944 9634.8751 8803.1188 24053.6557 10978.9308 8793.1496 7064.7591 7817.6079 15485.8067 13298.7977 10277.4629 21740.9310 5569.9508 9037.5899 7893.5116 12750.1760 7046.9491 7190.2852 6536.5979 6517.4382 7314.1181 5581.0747 10846.4075 15392.7653 7353.3650 8459.2887 inositol-4-monophosphate 487.2060 598.5952 544.8899 477.3930 565.2188 425.7812 819.1221 263.6789 1064.6755 617.3222 666.8455 660.9669 611.7423 672.9702 825.8262 631.2603 830.8815 623.1822 708.1236 845.1018 570.5036 347.2935 1209.5669 560.0643 440.5845 463.8997 461.2439 396.0589 309.8774 724.5264 649.5041 446.9752 506.9020 361.0092 511.2018 276.3225 443.3742 336.5970 287.4651 479.8487 401.8625 433.6286 633.4147 487.6687 503.8181 349.5783 688.6581 253.3837 95.0067 567.8393 618.6967 194.4799 691.2754 631.1138 461.7692 437.8869 652.2524 607.2706 637.3984 383.9693 isoheptadecanoic acid 7660.8598 7749.5544 5580.0167 7420.2826 4744.3238 6381.7210 10851.1866 6533.7074 9098.6695 8187.3422 7568.3929 9520.3482 7921.6624 11345.1802 8754.7348 9688.4298 4051.7261 4141.6079 13613.6768 7166.1715 35876.4674 2178.7470 13047.4591 6755.5581 8710.8695 4250.7963 4734.9875 3241.0319 12293.7532 7153.1048 9066.7539 6770.3598 5126.9514 6438.3404 4449.0533 7884.6688 4928.0447 4967.8109 6928.7236 9263.8004 8622.7035 3861.4572 5759.9494 7232.5940 24696.9251 7423.8605 8446.6646 5500.6220 7470.6913 9300.3144 7050.1729 9564.0061 5018.4029 7041.1268 5604.1984 8154.7779 9187.9977 1356.7936 3317.2131 5468.5311 Isoleucine 10251.9559 9169.4767 10610.8013 13165.8307 9447.3321 14299.0032 8286.7952 8837.8157 9131.2787 7673.9915 18463.7358 13503.4706 10231.9824 9748.7548 13302.3783 19767.3464 16523.2950 14351.1777 6082.7250 11977.4617 6551.6522 9380.5306 7818.2284 8106.7981 7333.7076 8627.0352 9030.3541 6743.8553 9940.3263 8903.1777 10951.2442 10278.3924 7652.3366 9105.5429 8178.9933 6855.1796 6134.0938 10066.2309 18899.5117 8720.4872 7589.0634 14821.1042 9469.7925 9791.5788 6757.6415 9513.3063 8985.8521 10392.2067 4221.7639 8133.1082 7999.7524 10885.9743 6308.2308 10731.9210 7526.4657 8047.5291 6794.7872 15263.4722 12876.2648 9785.8978 isomaltose 9740.0772 9549.6309 8343.1567 8490.1274 7532.3462 12726.4610 14115.0730 5581.6980 11897.3568 11584.9849 10809.3839 10577.4909 8585.3828 13746.3071 13411.6126 12754.6959 9131.3145 8566.2019 16148.1693 8749.0441 10458.5313 4913.5593 5952.6554 6149.1117 2570.9164 9916.5837 10086.5753 6698.7373 6352.4871 12340.4784 2481.6723 4473.7971 6814.6935 6638.4426 5007.1818 9085.7241 16071.3175 5926.5113 6222.2935 11770.8643 9450.9073 4598.9348 5512.5053 5034.6085 13950.4465 4562.2424 4785.2652 10909.4673 7168.7812 6383.2608 15372.3863 5181.9803 7103.0764 7517.6178 5185.4077 12904.3182 10620.0325 7052.7760 4782.9356 8735.3014 isothreonic acid 16535.6914 11900.0287 11462.0336 9710.3562 9125.5018 12914.3645 18614.9129 9523.0563 18781.5405 12978.9382 13755.4629 17008.2740 16025.2482 23735.9193 15838.2711 15788.5897 11922.5734 15444.7036 23511.6716 12656.7281 19052.9262 20258.7852 35240.0370 26465.6467 18740.4679 14665.2473 12992.9911 11249.8879 19902.3157 22001.4837 32267.8104 26879.1881 14203.8760 15036.5470 19067.2285 19519.1441 22819.7929 25410.0675 29490.6539 26583.0372 12353.7006 23090.4637 19775.4387 13094.5508 38817.6070 13287.9126 21899.7325 16818.0970 14997.3309 13756.8664 22069.1597 17770.4847 12155.0076 12624.3806 15703.1497 15521.7548 24561.6849 31988.1506 23269.4469 37501.6745 itaconic acid 82444.9621 97389.7149 62085.2091 87117.6701 71466.5022 98705.2844 146729.4847 46607.9686 145894.7871 128434.3074 135015.9540 146036.2804 76179.9037 115455.3088 122077.6329 95696.6380 121364.2325 97183.7389 153953.9456 115867.5211 77861.1129 69593.2558 66222.7952 111335.6787 100287.9181 135430.5648 82479.6812 136496.2208 92097.9073 120081.1783 150173.0439 66338.4024 130758.5013 114882.3961 87708.0529 102736.1174 105004.7996 71522.8535 135105.5238 111689.1644 96040.0266 61032.4485 82403.1246 73574.4114 101681.7020 60277.1384 103060.4159 83235.5643 91539.9839 112650.1749 125015.3451 54483.1240 62282.8269 107325.1171 83121.4462 99436.8904 126177.7462 94558.6057 72819.0933 142731.4905 Ketoisovaleric acid 4240.7145 8070.8726 10065.6611 13341.8330 11631.9811 11740.1831 4535.0194 7515.2938 9114.3588 7381.4470 11155.6854 8638.7636 6062.9256 5573.4187 8334.6151 4926.6025 5346.3113 6557.5498 4557.9120 6762.1885 7943.4174 12434.0986 7978.5985 8248.5366 4781.9283 6239.5876 11721.8654 14829.0049 11574.3826 7657.3045 9185.6755 5849.7168 9644.8599 6602.2803 6477.5412 10509.9817 8766.1729 12008.2366 12642.5279 6161.0873 8246.0694 9671.3500 9229.6427 10457.4521 4152.5849 10674.3699 7723.4807 10717.3793 13227.9608 7179.3088 14695.6691 5234.7842 9731.5610 10167.3493 7831.7795 10726.0321 4385.0800 5901.2531 12079.8262 12436.9532 Kynurenic acid 348.4603 130.7703 312.2245 430.5413 458.1347 211.1110 58.6931 86.8301 195.9932 129.3511 238.6029 349.0292 291.9118 117.0322 181.8087 121.7949 122.6977 142.6378 106.0655 139.1043 107.6232 217.4463 433.1575 378.1348 202.9694 185.2554 202.1779 253.1575 367.6819 369.9240 138.6878 259.2052 92.1539 47.4516 236.8514 183.6383 230.2654 96.9146 130.1135 177.4422 43.8549 142.0358 379.1076 262.1669 257.1809 743.0225 217.4273 202.2603 172.8760 158.1669 163.7400 126.8367 150.0461 743.5628 599.4463 221.9833 123.1351 122.2462 233.7012 234.8299 Kynurenine 3731.8669 5671.1823 4683.3682 6129.8530 11865.1079 5392.3776 2035.3459 9238.4220 5441.8521 5354.9469 6227.6690 4488.6784 5087.7376 3062.0228 3118.1912 2960.6303 3176.3541 2840.1322 2512.8813 3315.8402 2992.7518 2528.6679 2786.1342 2566.4536 6092.2174 3199.1415 3948.2584 4628.3586 8209.0298 5019.0017 6347.3580 2552.5843 3973.9188 1879.4541 4834.3234 6156.6172 4407.2191 2484.4176 2747.7520 3966.8402 3225.6961 3359.7934 3543.0288 2707.6660 2375.9673 5265.3803 2926.6104 3655.1904 2490.0038 4483.1400 8061.5563 2332.3174 2268.5541 5545.4968 3525.4432 3172.2746 3876.9180 3655.8932 3706.5855 7733.3302 lactamide 1556.6333 1717.4746 1017.7727 1153.6157 888.3405 1510.2240 1887.3736 1270.9917 1570.5920 999.4740 3131.5391 2235.5637 774.6736 2287.5211 2131.5111 1556.9065 1369.4352 1682.5921 3260.3192 1566.1998 1447.3108 2731.8440 2748.2946 2125.4614 6144.9942 4799.1296 6781.6369 4614.6409 3108.5188 977.4733 510.9028 8818.1535 3497.1408 10045.3376 3511.5171 3113.3668 753.9359 3034.3818 2458.7438 1095.6870 1414.6782 3460.7886 3462.1029 3419.6404 1284.1456 3080.2276 3316.0606 2676.4906 3465.6323 1543.6508 1282.9295 4492.1992 4162.4442 4865.8878 3900.0503 3774.9208 1168.2133 1345.0210 4855.3895 1037.7275 Lactic Acid 1034268.6340 2015759.5210 1429428.9710 600847.0867 159908.1168 1308154.8590 1552289.6690 801999.7441 817425.1311 483548.1834 1357811.0350 1380973.0040 1350285.0940 1140203.1290 1187162.7600 764165.9193 819158.0147 1481410.4470 1224082.1800 742722.5645 634298.9757 2306125.5390 2405025.4490 2316976.6890 1618997.7720 2170351.7860 2641737.0740 1766879.3920 1807316.1890 1114772.5590 527751.4452 2708387.6410 2525619.2760 2924081.3220 2215008.4920 1748187.8920 312169.4141 1709461.9140 1207318.6260 556088.3466 910964.0448 1900604.3140 1814895.8790 1814537.8480 1222977.9910 1873810.3470 1975816.7300 1847256.3220 1829799.9960 1477485.5860 1100693.1510 2346861.2830 2086875.5610 1801125.2890 2122273.0390 2169151.1480 1260734.8320 901753.6771 2505972.3660 447470.7403 Lactose 3819.8165 3160.3249 9771.4777 4283.4167 2824.1417 5882.9773 6339.7141 3944.3209 8970.4779 8258.4622 3780.1427 5527.2595 5309.7629 6505.3787 3902.3952 6823.4790 12854.0408 1727.5429 4208.4181 3263.6977 5918.7119 4677.0831 9924.3971 13893.7688 9243.2004 3694.6990 4666.4764 5466.2180 3177.7052 6754.0761 3648.1494 2168.1332 5996.8917 4428.0351 43776.6473 4426.1482 9141.0985 3726.6095 6767.6617 6422.5908 13258.4011 2744.9409 2764.1836 7733.1745 5842.1246 2874.4195 10567.1662 10615.1830 3325.2335 5832.0311 15160.5446 5984.8088 4040.1644 4955.2956 13609.1965 3423.0298 4724.4493 6333.6656 4639.9861 4437.8767 Lactosylceramide d18:1/24:1 15Z 1229.2441 1181.1529 1319.6374 2178.2398 1737.0004 1071.0811 1181.7191 1464.3832 926.0865 974.7342 651.1687 960.1965 883.7843 1251.8756 1424.0980 1080.4198 687.7971 975.1730 1163.8072 1083.2718 2290.0662 2716.2161 1769.7254 1735.6692 1288.1190 1424.5267 1583.4780 841.8845 1699.0324 1859.4465 1080.5491 1812.2423 1527.8937 1026.4724 1566.2640 1148.4207 1881.0363 2169.8577 614.9803 2348.2980 1819.4179 2172.1955 1432.3818 1843.2241 1207.5499 891.0970 1417.5223 1711.9115 1274.9651 1455.7180 1307.4731 1396.2387 1287.8342 733.2895 1742.9419 1577.7933 3127.3122 1473.8269 765.7471 2303.7200 Lauric Acid 5665.6824 8237.3373 8982.6090 4031.6656 6967.1949 4965.1636 5656.9879 8006.5627 5761.3092 7345.1148 12480.7659 3999.1548 8166.9750 6009.4487 45001.1400 3553.3482 9398.2934 3759.9417 11334.6127 8583.1503 4895.7847 9070.7999 31909.4604 14800.1722 9899.7831 11462.8321 11879.2189 7312.2388 5750.2947 6412.9736 15340.4158 8567.2635 10349.8168 5873.5731 5632.9606 8711.5583 12724.4579 9306.2767 7812.4707 5140.3478 14091.5470 49075.6771 8910.2072 3427.0965 13434.2485 9939.5607 29232.9443 6743.6577 7811.1030 5846.5635 9636.4313 6448.0522 11777.1341 2591.7511 3122.8879 5192.3461 12665.7951 4977.1792 10077.7136 4238.9461 Leucine 20538.2262 11344.3810 14814.5642 11856.0908 24060.9328 11903.6263 5832.4753 8999.4290 6227.4844 9617.5819 10480.0890 10052.8794 6871.6971 8933.9151 14632.4178 13358.9653 13355.1497 11594.6676 15665.8582 13394.4934 5379.8628 8335.9411 7340.5376 8982.9389 36782.5353 9339.1479 6870.6513 6201.0941 8404.0725 7542.2482 7822.8108 7732.5534 4710.3461 7628.7629 6680.2071 11864.0642 5762.8285 6566.2351 16961.0810 6585.0595 4669.9002 16407.1337 8795.7476 10274.4649 4801.2965 7289.9481 6741.3114 6923.3967 7503.8154 5178.9963 5598.9273 10826.3940 6325.3706 20416.1124 6778.2713 7718.8524 4042.4453 11404.7615 11236.6516 6038.3005 levoglucosan 14035.9809 1809.7312 3626.1511 2488.9033 4893.6821 3741.0778 16390.1967 1854.6406 57862.3711 601.2016 2705.8930 6956.3224 11185.2874 3180.9636 3790.9820 2729.3916 1487.8332 3371.3138 10247.1390 3497.1167 2077.8121 2480.5262 2089.9729 4507.1840 11525.7709 16482.0260 2756.8493 1798.8937 2891.2148 2672.6102 922.6601 10144.9215 11518.7438 3017.0051 2373.2943 1517.2800 12115.9000 3290.8367 8864.5256 10393.4848 3560.6645 1267.9258 1369.4023 1446.1215 2886.1296 15718.2200 2084.1501 2137.8007 1135.8575 3376.9308 2829.1764 3981.5696 7176.0498 2070.0534 5131.4347 3806.5515 25821.4082 4527.5506 11685.6370 2082.5282 Lignoceric Acid 16037.1220 17904.8492 10458.4206 7976.5173 12627.1979 6830.8500 9880.8025 12193.7683 10569.9196 9227.3048 8403.6213 10379.0943 8404.6160 13848.5018 13420.0098 6379.2158 9013.8116 8421.9117 16029.2172 11508.6156 8105.8319 8632.4426 7752.1902 10994.0780 9169.4803 16236.3590 12013.9933 7215.4753 13447.7187 10494.2448 18875.7552 9229.2152 9690.8763 7822.0897 6755.8650 7997.2106 7120.9945 7606.8792 8303.5882 8164.4530 9455.0853 9804.7149 6607.3852 7687.7142 10724.7634 24595.8996 9832.8232 5796.1971 6820.6581 7296.3136 8586.2436 6699.9970 10511.7048 9453.4009 6776.4775 6102.5584 8568.4516 5864.0531 7862.1043 15809.3459 LPC 14:0 17016.4008 11038.1898 13820.1041 5544.9740 14661.1183 10992.4378 12442.9171 5383.1948 8896.2135 6886.4301 11205.2824 5678.3276 5996.4763 10814.2753 4502.6882 7826.9807 4559.4119 9164.2362 8651.5134 9452.5177 2869.2273 13956.6967 13429.2036 10800.0075 5413.0723 7832.5228 28088.7068 11725.4798 11732.4911 8213.2615 4887.0502 29557.6273 12589.7390 11406.8266 13578.6734 8175.6046 5893.9355 5201.9929 8029.8087 7327.5940 7042.8678 7121.3023 14096.3443 7798.0856 5222.0054 18926.0560 9526.2226 7387.5692 10138.4320 8616.0772 5520.3082 19568.7951 15142.9607 5238.7184 9641.9790 11620.2223 7068.2794 4856.5002 15466.5660 4757.4969 LPC 15:0 8892.2565 7789.5832 7031.9206 6447.7367 5557.9621 7306.7816 7362.1428 4909.4603 6450.4012 4429.3704 6955.8613 5300.3388 4184.3323 7956.4523 4214.7810 5171.3017 2440.4313 8137.6201 6425.6385 2688.8506 2136.7563 13040.7939 7146.6919 6402.8882 7583.6068 4855.8612 16783.1957 8056.3751 5538.6021 6451.2177 3293.9923 12150.2394 13407.2427 7578.4045 6884.7472 5087.6496 3594.3522 6825.2616 5444.4348 6408.6779 3851.8598 5656.6148 9893.0876 7584.8050 4428.0892 12215.0524 6867.8407 6593.1583 3373.5934 7710.0750 3920.1741 19650.2767 11560.4552 4095.3026 7971.4671 11491.5817 3787.3821 5817.5758 9504.1609 4351.4711 LPC 16:0 10577.9280 9089.7062 10170.4263 10316.7576 9168.7637 7955.8670 9659.9791 8055.0291 7865.2827 5938.0734 7679.2637 8831.4812 8671.9240 10758.2480 5726.6378 8320.2899 3600.9900 8623.6348 8357.0373 5502.1692 4018.7456 16974.0787 10282.9705 10647.5120 11811.0099 10281.2220 19509.5691 11342.5922 15689.2297 7923.8499 5547.8422 14730.2609 17191.2399 14626.5457 19013.7339 8913.6848 4226.0046 12126.1238 7796.1099 11092.2716 5714.2607 8360.0562 14041.2101 12082.8362 4693.7677 17684.5347 9744.5755 7220.5358 11975.1080 8027.6869 5683.8334 17247.6851 11514.2405 6503.4601 11532.2736 14000.2684 4915.0575 6943.7285 13252.0316 10248.7633 LPC 16:1 12824.7707 10000.0486 13032.2321 9858.4718 13248.3719 9854.9237 12635.9067 7696.2966 11641.8311 5478.4435 7005.1885 6329.9637 7780.7552 10870.4063 5663.1782 8877.7797 2991.1277 10535.9336 8953.0416 8570.6663 5152.0278 11644.1076 13595.6308 13823.9420 5404.2851 7464.8445 18414.7323 11861.1165 17177.1607 7442.1116 6346.0201 17580.4292 12764.8546 10045.7793 14958.9727 7625.1809 5513.3795 6525.1855 5782.3312 10391.1686 8302.7461 6503.8229 15608.0065 17058.7283 4316.2656 9899.3011 9481.6149 8630.7007 26371.3055 9787.2047 6607.4784 19392.7469 12193.9214 5255.8416 12400.7121 8266.8965 5769.8638 4414.5913 7872.6745 8502.9791 LPC 17:1 2006.7519 1457.1571 2233.6803 1443.1757 1573.4018 1491.7036 2095.6796 1405.7628 1579.7434 894.3438 1407.2718 1117.6390 1610.9396 1530.6173 1220.1886 1542.7356 643.0343 1810.9095 1592.5783 725.0447 665.4074 3080.4390 2125.4251 2211.5356 1477.4570 1409.1782 3712.8869 1481.2978 3011.3675 1462.0004 884.2556 3042.7539 2288.3927 1719.6865 3550.9793 1384.9829 988.6675 1648.3726 1152.7305 1856.1308 896.6371 1344.8810 2483.5102 2345.3141 983.3429 2385.4404 1465.1393 1322.6949 2430.0298 1736.8371 1008.8573 3902.3344 2087.7586 890.1393 2431.9894 2275.4993 862.2710 1097.4816 1905.7889 1474.5768 LPC 18:0 10995.5539 8868.3985 10098.8816 9862.4121 6799.8044 8771.8864 9715.0515 5910.0168 7652.9328 6936.8183 9684.9583 10836.7026 9586.3469 8281.6788 6364.9065 8429.8987 2574.5197 8573.2883 9336.3382 3411.2187 3469.4991 17120.6608 10622.0155 10857.4438 9609.9592 11935.3966 19198.4714 11696.0326 12364.6572 9561.6444 5694.5421 13209.1225 16082.5195 16368.1175 16285.1019 8325.8968 4072.5709 15131.7607 6783.4340 13209.1623 6701.4113 9112.3697 15450.9752 11927.3795 4665.3071 18328.8536 10592.4092 7885.4492 7805.4713 9739.0968 5176.5456 16357.5717 11458.1064 7819.9616 9811.5808 16600.1656 4776.9209 8112.7374 11476.7957 11911.2695 LPC 18:1 11031.9838 8188.0521 11345.8198 10982.1153 10196.4575 6707.4749 11510.8591 9092.0084 8604.6957 5454.7984 8018.3166 8066.8089 9559.7106 11514.2029 6230.9917 7891.0367 2419.2760 7616.0956 8362.1150 4376.8977 3288.7919 15844.3019 10218.2444 15542.3286 7715.7829 10154.8208 22059.8061 8177.3414 19407.3259 9994.2049 5722.9058 11867.5611 12376.8782 8574.0847 19524.8998 7136.9914 6569.7872 11283.8288 7040.6457 13111.7384 5960.1483 8867.3389 10501.0683 19168.8762 6953.5078 15487.7081 13775.5949 6922.2480 18325.1296 10015.1801 5608.3032 13000.3052 8941.5364 4013.2329 10079.5885 14751.4377 7025.1325 8751.7006 8650.6943 10419.2818 LPC 18:2 Isomer B 16791.1477 10415.8331 13512.0751 11618.7652 12630.7490 9028.5815 11753.1595 8892.7486 9846.3242 8036.4445 10519.7012 7171.2976 9553.1718 14317.5927 7111.7740 7770.9376 2557.9787 9365.7736 8706.3513 4927.3190 3203.8704 19907.0118 10090.6634 7809.4866 5582.1181 9828.6614 25194.5494 5876.7288 19490.4791 17817.2467 4603.5317 14575.8451 11082.8394 4587.5277 11014.5060 4483.3722 5569.5403 10242.7243 5372.5826 15441.4647 7318.2212 11306.1012 9055.3694 8717.4616 12840.7262 14537.0891 19392.3091 3913.4056 12476.3463 14833.9086 3650.4817 9443.0908 8071.3246 3714.3138 4805.0334 11885.2958 9352.4886 10978.1605 5170.0796 12236.3172 LPC 18:3 8678.5505 2914.3141 4343.1595 2401.2092 4581.8601 3017.9942 3956.9687 2469.9489 3553.7698 1833.9072 3843.0451 1958.2333 3065.9589 2680.0578 1815.5778 2975.8425 1404.0012 4076.3114 2092.4819 1775.6723 908.1481 6279.1496 4063.4299 3237.8443 1887.1720 2115.2063 11784.8645 1875.7676 9579.1326 3200.2399 1644.1920 6208.2756 2531.7130 1714.1629 5316.3537 2157.1968 2886.5561 2260.7680 1498.2636 5275.7929 1943.3591 2673.9281 3707.2264 4689.6737 2088.5374 4204.8207 6732.3153 1931.1132 5512.4367 3313.5017 1345.6421 4606.5687 3361.4505 1851.7545 2701.9954 6407.4086 3742.6646 2014.1019 1928.6660 2400.4738 LPC 20:0 1694.8801 1772.9347 1954.2277 3136.2732 1484.4656 1348.8928 1661.0804 1166.7719 1572.7803 930.9502 1204.5902 2106.8914 1326.7395 1918.6889 919.5529 1826.1835 735.1423 1413.7802 1190.4819 972.4533 797.4243 2425.9129 1466.6629 2391.7611 1558.9344 2056.6903 3428.7800 1534.8247 2341.4981 1562.5364 1198.3252 2536.5726 1873.6646 2041.8976 3302.8899 1318.2869 1285.5888 2696.3380 1254.5598 2511.8536 1869.7691 1905.0006 1575.7175 3894.5387 1285.5350 3433.5467 2469.9807 1739.7127 1219.1109 1740.1060 1070.9754 2066.8410 1941.9161 1341.4962 1654.8754 3075.6492 1359.9968 1860.1774 1706.8853 1736.6693 LPC 20:1 6597.2120 7722.9436 8771.5246 12433.1503 8143.0849 5470.3181 8145.2200 7418.6243 8258.6809 5597.7854 6410.3561 7616.0040 8466.5011 11471.9022 4207.3903 7054.4202 2937.6003 5642.9002 7148.1457 3990.0742 4105.3697 16770.8475 8876.9658 20124.9791 12081.3592 12004.3458 22056.0768 9800.1445 15182.3893 9674.1449 4987.0424 10131.9909 14772.1110 14440.9564 17045.4560 7821.3815 5270.4240 15882.0334 6334.4503 13736.8701 4915.9784 10515.1615 11310.1100 32947.2396 4904.1652 21381.3864 11239.8575 11631.7379 6400.1646 7904.3843 5115.7804 10398.9445 9235.7303 5177.7323 9649.4273 15064.4581 5141.8810 9020.8259 13626.8220 9815.0361 LPC 20:2 10822.2532 8020.6280 12076.7449 9151.1318 10619.4664 7830.0497 12191.0816 7329.1856 7806.2728 6550.2804 7474.9147 6914.5692 9893.2924 13405.8723 4376.7617 7208.8100 3856.9983 7239.1007 7090.9213 5417.6083 3528.1278 15543.1070 12149.9888 15384.6212 10767.8579 10479.6908 23254.1740 9638.1008 15956.5663 10566.0992 3984.8755 12744.7539 14266.4211 11203.7395 13919.0662 6367.8410 5139.1125 13139.3076 6392.1795 15126.5278 5676.6620 7586.0644 14504.5901 19847.1560 6412.3083 17325.8057 14988.2098 7962.2236 10655.8718 10672.5186 3508.3151 14314.1038 10199.0013 5691.0416 7995.5247 13142.9979 5824.5137 9215.8746 8457.1111 11192.0037 LPC 20:3 15672.4905 8734.5485 11540.3710 7987.9258 9511.6987 8356.0388 15401.7342 7329.2619 8609.6671 8191.0100 5746.3669 7004.5101 9175.2180 12331.8987 6974.1550 7916.4463 3455.9045 9806.9025 6865.7808 6351.6136 2404.6463 13379.3424 14788.5615 8646.1690 4620.1603 8275.8627 21431.7426 10058.3737 24759.5576 8716.0297 6463.1591 24644.5803 11277.6048 13061.0122 13579.8216 8428.1293 6157.8967 7232.5719 5994.8955 13316.6100 7348.6415 6450.3005 13482.0351 8288.7621 6278.4150 10699.1696 11083.2895 7105.8486 20572.5969 9258.0678 6407.7993 19238.6397 12200.2539 5881.9591 7478.2739 11965.0251 6269.2444 8932.1522 7916.7104 8942.5454 LPC 20:4 11285.0101 10007.2674 11379.2166 10472.0356 9037.9244 5771.2209 9339.4229 19293.3662 8358.6265 9266.8641 7287.3574 8752.8384 7766.5152 12659.6588 6357.4679 4453.4970 1801.9915 10686.6550 13064.8038 4240.8172 3661.7192 21704.1607 9287.9422 9943.5726 4779.9888 11070.9359 12637.9616 8191.3486 12843.6473 7903.3542 6592.3067 10669.1037 22829.3369 11055.1529 15321.7272 12986.5092 7970.6217 11855.1517 8727.9870 12880.6104 3849.3467 7966.9276 10364.4002 11699.6532 4014.1990 22666.4610 7493.8926 4854.7857 9854.5870 7850.8042 5712.9326 11605.1395 13531.9347 4823.3661 9331.0992 15731.9953 10961.3301 10294.2550 13891.3973 9305.7975 LPC 20:5 11421.9802 4665.5541 6394.4193 1835.2099 2485.8211 3984.1987 3987.0813 3770.8714 4841.0649 2739.7354 2219.4358 3406.2988 3178.6467 3496.5840 2220.1289 2146.4148 626.6787 4824.6795 2922.3614 1662.2767 1041.2295 23924.4741 4240.4822 4882.9569 2140.1399 2574.7000 4686.3707 5790.7923 16250.4229 5474.0452 2116.2312 5323.4027 6183.4873 4118.7781 7720.5849 5295.0323 5786.7545 2137.8893 3602.9264 3490.1861 2143.7953 25563.6239 3949.0444 4091.1747 1227.0462 6920.8071 2128.1149 2491.4140 3968.6267 5941.6392 1327.6802 4853.2035 7918.8102 2753.1446 5045.9183 6510.6287 4114.9868 2260.3810 8262.4432 1969.3683 LPC 22:4 1523.7415 1187.1792 1835.8485 1767.8290 1606.3411 865.7906 1948.3716 1746.2122 1060.1253 722.0785 871.8185 1142.6406 1028.3649 1349.3859 776.4242 1055.1763 684.3538 1382.0099 1265.5663 767.1385 820.8466 1869.4985 2050.4570 885.1469 1195.7780 1292.1464 2387.0548 1078.1009 3180.3573 845.6300 803.8687 2051.1674 1833.2754 1727.0514 2666.1625 1350.5928 724.6484 2059.9662 989.1171 2531.3602 681.6765 776.8444 1982.3228 1188.4070 840.7764 2078.3081 1271.0084 1715.6540 2284.0642 787.7875 772.3596 2079.0708 1743.9237 979.4841 1485.5168 2169.1748 801.0274 1587.7310 1249.3434 1755.0403 LPC 22:5 16131.8972 10104.2584 11948.6684 9728.2882 6271.9292 7984.7485 9722.7810 11134.6504 11661.9405 5783.2551 7305.4578 9899.8423 7631.8166 8055.0728 5739.7350 7093.9636 2255.6279 10537.8350 7772.6958 2305.8378 3211.1027 30119.5209 15552.3631 7704.2975 5967.1400 8199.5755 13200.4550 9912.1219 21451.2102 10163.5011 4016.6500 13876.1503 16709.9062 11189.3251 13171.0303 10296.3398 7594.1599 8743.5030 5887.6774 12563.5968 4859.9142 15816.5227 14862.3583 8349.3678 5052.6883 13983.6923 8222.3019 6296.4431 14643.7495 11456.7450 3377.7347 15277.2636 13280.6771 6081.7475 8867.3016 14107.3025 7866.0910 9726.6204 9067.4108 10204.1399 LPC 22:6 10148.2704 7164.1624 7936.0949 10587.8104 11504.3606 7479.6588 6021.7204 14772.5930 6848.5011 8728.3021 5639.6185 11242.7594 9096.0320 15693.9358 6315.6297 5309.9204 2651.4793 6424.2535 13142.5022 6880.4546 3278.7051 36708.7630 8914.4634 11440.2483 6559.0270 7504.5799 14139.0213 11893.8771 20698.6759 17149.2792 5248.2459 8968.9765 14074.6574 9344.0268 7179.9075 9996.1994 7380.3745 11683.0481 5915.4738 9872.1346 2227.0535 23286.2541 8882.1719 13743.4203 4626.4056 11904.1076 9232.9836 4891.6051 10933.0407 16082.0022 3974.6577 13675.5577 8788.7198 4191.3248 8395.4649 15012.8078 11077.2048 8819.8641 12638.1864 6079.4234 LPC O-16:0 4042.1717 4686.0435 4815.7061 6114.5076 4700.4417 3859.2392 4823.7255 5056.0114 3109.0046 3168.2452 3603.7082 4762.4666 4112.7507 4141.7284 3818.0726 3866.5758 1483.1969 4402.8399 4598.9156 1864.1552 2985.2839 10794.9765 4810.7182 3935.6632 6106.1498 6866.5063 8966.0787 3632.2633 8059.7469 4402.9138 3721.1644 6989.2680 7464.1204 6748.9411 8969.5500 4344.6151 2849.6415 8856.2564 2471.3626 8979.0513 3815.0648 5982.1968 6522.2613 5170.7637 2577.1625 11155.9279 4482.1054 5966.5623 3597.7549 4009.7620 3420.2359 9434.2934 5932.6994 3757.7777 6880.7977 8598.3139 2823.0384 4705.4714 4584.3151 6796.0353 LPC P-16:0 or LPC O-16:1 5084.6402 5609.2712 6485.6295 8335.6261 5115.4772 4924.7418 6794.8851 5760.5838 3899.3115 2969.4224 3717.9862 6359.1902 4406.1643 6397.2713 3098.5078 4999.6462 1354.0735 4993.2388 5685.6626 1779.1085 2424.2123 15529.8746 4884.0912 6858.3349 6122.4452 6156.6411 11309.9604 4770.8728 9854.6925 5117.0014 3747.3369 7107.3140 9089.5392 4684.0284 10897.8329 4417.5638 3248.4790 10288.8420 2733.9449 8806.4927 3433.5583 7468.5921 6902.5396 7643.0322 3155.9579 10657.3544 5831.2546 4997.2632 5205.6110 5018.7402 3734.5683 9288.5546 6807.7549 3404.3692 7969.5315 9887.4013 3942.9214 5712.9072 4624.9855 6451.8857 LPC P-18:0 or LPC O-18:1 2378.5657 3146.9289 2566.5006 4444.6872 2912.9343 2515.9250 2465.9842 3363.9104 2067.1573 1887.0223 2340.1823 2837.3435 3109.9001 3006.0773 2069.1575 2552.4738 912.4717 2735.7795 3165.3976 968.1580 2125.0452 7287.1467 3918.2789 5738.8061 4116.5490 4823.2458 7195.9814 3602.0090 5905.5078 2511.5212 2417.2146 3413.8905 5346.1503 5723.3893 6483.3321 3467.1467 1922.7657 6310.7695 1800.3190 5868.4943 1828.1326 3999.0169 4990.4221 7361.4417 1205.1129 8609.3464 3009.6404 4542.8208 2138.0986 2324.1365 2521.3949 5614.5104 3707.0532 2283.2569 4890.1084 6008.4977 1980.2098 3564.1214 3682.5764 4710.3175 LPE 16:0 12304.6035 7605.1787 11830.1609 11001.4584 14945.6697 8268.5232 11057.0498 9342.0661 8885.7302 6433.3896 6730.8990 8933.0034 9526.7267 14646.2547 4836.3125 8701.0578 6904.6560 10483.3304 8168.3855 9714.2245 4730.2483 14443.9258 6515.0459 10274.6291 11496.0743 8700.6443 16357.0354 9701.1626 19136.9511 10788.3602 5621.4727 13963.4261 12126.6097 10328.2459 11510.0707 6366.3358 6493.7481 7874.2259 8892.3289 9391.6916 6782.8753 9785.2707 7600.6917 10288.0730 8796.4711 9145.1064 10843.2521 6836.4186 14688.9086 8959.8568 5442.4410 13028.8438 8451.7985 5530.1145 8484.3817 9878.0882 7530.0467 6791.9178 13431.3950 8281.6346 LPE 18:0 12109.3699 8477.5776 10738.5671 10018.2209 10650.3400 7831.5063 10510.2361 8761.7566 8002.5471 7381.5107 8443.4799 10244.1037 9623.8083 10707.6114 7177.0380 9198.8492 4759.1059 10134.3339 7697.9772 6366.3354 6022.7445 14826.6809 7890.7298 9760.3277 14668.8259 9272.9503 15085.2078 11277.4386 17133.4729 9512.7124 5174.0693 14039.8960 11167.1908 13817.4822 13094.8281 7107.3114 5686.7841 12118.7140 9665.9114 10096.3453 8383.6394 9622.4547 11669.6175 10839.1564 7095.7755 12230.9212 10666.0218 13413.7579 12182.4904 8420.2881 6123.0351 13985.3954 10382.8533 7956.0935 8368.7628 13634.2577 6466.6877 9644.7568 14135.6765 8524.4597 LPE 18:1 18953.8153 8083.6662 12124.1683 8029.3494 13170.2401 5552.8863 18409.4264 10206.7173 8590.6707 9351.1324 12297.4567 8630.2813 16733.7855 18233.4545 15965.7132 9011.1916 4539.9770 7729.0182 7857.1807 9327.6485 3899.8199 11548.9582 8308.6973 10116.5989 7530.8404 11189.0094 20596.3556 6053.1903 19500.8120 19191.1041 3922.1316 14889.8512 6529.2582 5220.7400 12706.8625 5589.9534 6944.7474 9291.8264 10310.5021 12707.8185 11588.5013 12836.2406 9735.1258 11442.1164 11505.2334 19671.6196 27127.0549 6837.4879 13110.0967 18368.6327 5562.9351 10728.6169 5450.9769 3565.1899 5682.7066 10489.6480 8451.6170 19439.8926 9745.0058 8455.5465 LPE 18:2 27666.2334 8000.5610 13747.2206 9647.7917 13531.0396 8446.4046 15497.5560 9126.0372 9520.3679 11295.7735 10432.4717 10454.4527 12265.9816 16517.8105 8732.9246 12167.7584 3850.2099 10257.7044 6751.1602 7446.9970 4113.2546 9399.5002 9088.4053 4368.6938 6450.2709 7923.9940 17417.2650 4346.3558 25038.0670 19437.9834 4462.1665 14688.1017 5583.2338 2109.0161 7763.0943 2929.3422 5792.7678 6936.2661 7258.5670 15232.2237 10176.7815 12235.8704 8806.6939 5288.7637 12800.0638 11139.2774 22851.1219 4147.0084 14020.9631 15560.9317 4697.0389 10229.4484 5977.8155 4434.0603 3882.9528 8559.1950 8114.4891 16871.3749 4643.0616 9868.0622 LPE 20:4 22190.6801 12065.8389 13973.6013 11881.0850 12500.4738 10729.7784 12638.3723 18891.5583 8221.6287 15750.0690 9163.7974 12702.1632 10781.1760 16471.3731 9955.6146 7234.0525 2958.6464 14153.6874 12340.5059 9414.4133 5303.0310 13524.6325 11103.2524 8530.9696 6425.8516 13625.5735 11369.8456 6712.3853 15006.5972 13419.2093 9252.9029 12718.7490 13547.1273 5770.3401 12668.5311 7465.7767 14805.1357 11021.1191 10432.3540 14187.3213 7490.6957 10201.8968 9831.6580 8084.0314 9578.7588 13972.4554 12732.0609 5150.1698 17497.2575 13076.4006 8484.7297 11775.2864 11435.8261 6250.8295 7727.5907 8244.4163 15390.6143 17255.7041 10272.4499 10367.3524 LPE 22:6 8908.7623 4917.4531 3690.1330 4812.2192 7902.1440 5681.1929 3807.2191 11311.4868 3706.0867 7024.1159 2542.8639 7686.3021 4370.7279 11420.5329 3259.9360 3660.3007 1315.3365 4464.6156 8449.9517 7052.0047 2341.1695 10035.6187 3649.5103 5483.1167 3665.7074 4512.4400 6228.0683 4850.5813 10618.9526 9335.7557 4010.9310 5038.2036 6468.1819 2768.2534 3021.7928 4174.7489 7502.4778 4331.7234 5217.8932 5169.2567 1626.7281 9623.9642 3399.1034 5128.7638 4238.0006 5025.6767 5087.6964 2006.4972 8501.7532 7581.5011 3337.9108 5158.9493 3922.7235 2955.6596 3960.0878 4062.0611 8266.9141 4629.2788 6648.3372 2731.1513 L-Propionylcarnitine 63556.3001 55974.1450 57009.6246 54959.1803 46710.0185 54430.4420 20258.2458 47520.0114 63549.0997 38497.8781 77787.2119 22910.6967 58764.5198 37510.7386 62256.3388 47378.2042 39206.7425 57158.6080 52242.3601 35427.0530 37488.0457 75931.1509 35962.0203 43747.0922 41670.6416 22956.3969 44457.7642 40931.5168 54653.9368 39337.6928 37469.6174 67882.9549 27463.5952 33506.3865 33741.9850 66884.1110 29419.6705 22037.5829 80800.5066 20736.9613 34794.4728 58663.3876 30184.3534 52106.9165 40160.8684 35184.3003 24223.9064 39246.5595 14299.5956 45919.7140 48431.4004 35774.1038 32244.4296 65653.5412 41235.4545 34827.3503 23961.7240 50980.8506 67209.1003 36861.2707 Lysine 8478.9067 11578.6092 10073.7727 14064.7481 9721.6775 16286.3557 8873.2035 14439.0017 7799.2096 7979.2008 9774.5601 10568.3769 10536.4910 8787.9727 11786.2764 15381.9738 8778.4713 13541.6870 7104.0192 11742.5318 6262.6013 11618.9815 8073.3451 10694.5347 7179.7488 5244.4031 10933.4249 8146.5244 11948.8590 10306.9843 9460.1626 12554.4230 10306.5916 8575.4166 6419.0685 4452.9253 7775.0015 13762.1775 12830.8282 13546.4882 6467.2964 14364.2924 7779.7389 9762.3190 6697.3143 11941.0107 8258.3013 4567.0546 6478.4538 9657.3778 11107.6468 6402.7181 11690.7465 12306.8263 7543.4567 9306.7735 8423.4222 14789.4266 14381.6827 10684.6056 lyxose 37825.1793 22876.4187 28726.5537 9474.1829 13024.4379 7691.0483 11071.2347 14806.5107 22897.3722 13298.5043 7672.7775 24089.9173 8594.3790 16135.8809 14999.7399 9113.8210 30822.2464 13172.6424 24252.2509 8519.7933 20120.2522 22430.6061 22609.9776 14693.8606 14754.0353 17653.4212 7715.7042 13132.4276 20219.0143 21084.7960 29643.4899 13198.9151 15892.5837 9836.9837 10505.5966 7414.8208 11558.6864 11995.2749 12288.6220 15023.9279 12842.2593 10831.4442 9012.6765 12392.3476 24132.0978 18729.5167 19730.7623 9904.9104 9625.2315 22501.7987 26994.9755 5816.1956 10830.6383 16866.5176 4744.6281 8069.7705 26005.4018 19554.3096 11323.3675 16110.5432 malic acid 5870.7315 2309.6333 5389.7889 4590.2401 2838.7847 8824.4659 8782.5398 5856.2401 8098.5791 5585.2960 5070.2557 6416.6339 7013.0452 8140.1476 8616.9342 7726.8692 3110.8288 4804.6330 8198.4980 6264.7991 9541.7257 9229.4968 14672.4428 14188.2953 16299.6097 7752.3655 11434.6041 9364.3248 13345.1926 7494.2891 19198.8160 13526.5621 9361.7553 34687.8225 9469.2148 9384.9904 15046.7635 8075.3225 9025.5876 10814.0809 7085.6306 11984.0104 14068.3619 8177.1417 11237.5043 13319.4239 12235.2941 15398.5495 11033.4415 9314.8478 16324.6843 9433.7141 4728.4814 7335.6466 9256.3726 7656.5951 12842.5583 9070.7980 11617.0995 8189.6608 Malonic Acid 11196.7058 8387.4930 7433.8574 9825.1686 8912.2014 9967.5795 8434.6290 8732.5569 16666.2516 6158.1179 11143.9552 8790.5468 7215.0976 11547.2642 8554.9233 9101.9991 11164.8335 10339.0623 7781.1626 7772.0887 10294.8608 11785.9861 15101.2720 13064.2575 6953.2283 8194.2341 4646.9808 8140.6104 9709.1085 10551.4652 16630.0622 12162.8025 7895.4454 7911.5173 9349.4318 9011.8898 11079.8965 16090.0368 12541.1262 11555.9680 5667.7650 10583.5065 12755.7072 7877.5328 10761.7750 8736.6083 9522.5278 6593.2547 7972.6864 8555.6557 17925.0162 9830.1800 7368.1798 6175.8930 10062.3735 7773.8555 9443.3589 17487.3416 12224.6243 10886.4832 Maltose 5833.2797 6961.3364 6688.5479 7544.0748 5736.6442 7824.6515 6169.2149 7806.5497 8722.4923 7425.8010 7511.8221 7566.8011 6419.1996 7621.1858 6801.0809 7757.4918 6464.2764 7174.3328 6237.6968 5117.4415 21195.0658 12245.0798 8069.5933 11661.4092 8154.9311 8105.1877 11142.2257 10899.3614 10410.3398 14702.2497 14414.7237 5209.5657 15154.2051 8436.7504 7641.4914 11488.1293 10285.8137 20179.9864 11650.4806 15133.2617 10419.8976 10344.7415 8515.0932 7311.0126 8957.3906 5281.1072 12087.8752 23450.8101 10971.0147 11953.4437 17746.4228 8907.1758 10778.5306 9050.0092 8930.8437 10683.4353 10647.3334 15173.4164 10136.2924 13090.3813 maltotriitol 600.4157 570.7036 437.4166 608.6004 597.4334 757.6107 851.1115 395.0246 1213.4169 819.3032 823.9292 399.2078 689.7094 1043.6333 1060.3804 939.8090 1060.3431 493.4377 1115.2947 763.8220 1887.2933 1264.5044 1075.7214 1566.5566 718.8484 1943.9144 1577.6859 1304.0719 904.2964 1006.8858 964.1393 571.3597 1963.8831 1310.9790 777.7856 1938.2479 1191.3186 1092.9384 1675.8602 1962.1345 989.3568 1459.5052 1737.3962 582.0242 1200.5040 563.2641 1158.1978 1618.0647 1339.5941 949.8591 1907.5657 1668.8870 1090.6570 1640.8960 630.6847 1892.8969 856.6898 880.0028 1501.9495 2095.6640 Mandelic acid 1892.1873 3593.3881 3080.7110 3535.0579 2760.4063 4397.1401 1600.3649 4730.7427 3569.7793 2127.7314 3652.3573 2887.3183 2179.6696 1698.8855 6781.8085 2594.2307 1896.9893 3462.4368 1455.8584 1599.6995 4116.5860 7994.9121 3144.2352 1952.7182 4103.2738 2734.3430 2258.6924 2791.3200 2929.3003 2615.1062 3914.3436 2930.1918 4110.4108 2858.2589 1562.6294 3614.0782 2959.2621 5346.0161 5518.0434 2785.1115 1818.2914 8325.8832 2420.6592 1494.5181 4025.4725 2808.8569 2384.0041 2575.3943 3819.9703 3262.8461 5108.9535 3340.8538 5348.0715 2561.0799 2598.0487 1386.2891 2129.1346 2839.8736 3586.5767 3506.3919 mannose 51045.4439 76542.9414 90735.4568 31085.0494 35917.2645 97099.1096 33929.1031 65143.5119 70681.5333 92623.9310 86317.9872 54147.7387 82439.2665 56058.7075 24239.2200 59746.1599 92283.3796 19639.4353 84964.0173 51289.6556 179200.2392 120862.0818 54280.8009 122645.9625 232845.3734 157486.1806 65502.4302 108479.8378 89248.5942 113318.2785 92051.5294 86385.5440 38925.2437 187321.4616 129704.4798 136743.7394 117599.0245 98830.2861 152260.6643 96237.8408 73599.9864 78938.9393 94510.9676 60108.3981 90529.8073 87012.4895 66040.4974 66291.7730 49210.2891 86196.3394 140240.2341 98112.7344 83506.2630 154488.2548 174157.9355 89105.5281 72099.2050 105947.6274 118131.1665 123619.9242 melibiose 372.9855 411.9364 335.3169 397.6593 303.5977 415.7864 602.9514 780.1736 468.7312 395.4276 406.3907 512.4009 324.8631 385.1046 480.8361 400.6075 446.3500 465.8543 675.6680 332.4137 481.0335 325.5258 292.4772 444.1090 381.1005 704.5840 373.4339 461.5649 494.0498 601.9746 385.4534 206.2963 483.7293 331.0970 318.5027 587.5595 777.9021 271.4815 335.3759 491.5050 479.3791 249.2592 245.3292 231.4192 570.7314 297.3877 511.9497 291.2916 283.9644 413.1628 742.4361 274.9544 416.1458 594.2989 196.9016 348.9256 573.3980 393.4015 238.9020 428.4289 methanolphosphate 12556.1684 16528.9500 14264.9387 12690.7825 14723.0229 12602.5247 38812.8156 3222.4134 19136.7585 24287.9772 21556.9477 33175.6849 22950.3305 19353.4295 27067.5525 16308.5701 14057.9284 15574.4481 13032.4253 26000.1666 9517.5161 11857.4496 14771.5876 29668.3331 20033.9917 5219.3568 10708.9651 12789.7811 17913.4483 29845.7808 11962.2069 19849.9467 12364.5460 11217.0702 13967.1917 15226.6681 24978.7458 15841.0959 16141.8771 12078.7835 14071.3056 10018.7769 9469.4965 13866.2791 15273.9529 13087.0282 21323.1580 11972.8810 17705.0211 18511.3524 23894.5625 4819.8452 14065.1366 9298.4107 15544.2292 19443.9558 19768.1162 16748.5036 22821.0161 9920.5540 Methionine 11951.0529 11553.7815 12565.2666 21202.9519 14540.1978 14934.0777 7978.2560 15243.2672 9637.9294 9461.4859 13708.2346 12351.7119 13238.0661 10364.1951 10955.2997 18377.8206 14532.1823 14950.9209 7883.9465 20941.8776 10537.6754 11868.3795 5116.8349 6802.6596 5702.6426 4503.6012 11270.8855 5819.5382 6231.3287 11240.8581 9132.7183 7141.0508 6200.4572 3986.1444 5563.5303 6577.2837 8653.0546 6904.4547 7865.9681 11652.6450 8043.9263 11670.9431 7152.0503 15577.8783 5783.4639 5212.4946 9672.4141 9876.9404 10181.3170 11887.3940 10307.3077 7179.2926 6261.3764 9041.5970 4546.9741 7122.0888 8065.9966 15313.6836 6848.4700 11110.1581 Methionine Sulfoxide 14656.3952 15177.4556 8855.1814 10445.6967 30901.0696 9275.6501 7211.7054 12330.0873 10061.1393 8223.8674 10488.1765 7606.4409 11051.8457 9171.7927 7253.4539 14684.5668 11921.6681 11726.3970 7237.5314 10532.1355 9773.4445 9718.1578 6710.7747 9924.2767 7633.7160 8394.2379 8153.6157 5081.0619 9961.8406 9635.6366 23610.2238 6875.4556 6566.6864 4119.7597 10706.0289 5876.3931 8258.9793 6448.7473 8104.9040 12303.2055 7852.0780 9920.5993 8705.8075 9698.2045 15734.1642 7135.7019 7178.5658 4998.3661 6650.1216 10316.3429 17994.1983 6831.7576 5991.8297 15628.4547 7852.6698 15182.1293 10569.7599 10982.2157 5518.1552 8589.4751 Methylacetate 10408.9397 9194.1557 9399.6776 10390.7278 6062.4554 10469.8982 5186.5127 7715.9013 10890.4625 7825.7398 13427.0784 8679.3483 7167.9546 9568.8212 7645.1141 9338.6216 9524.9265 13902.7629 4258.6038 4699.0684 21236.9479 25825.5080 20335.7955 18471.5907 21342.3525 9503.8009 18227.1846 17454.6902 17562.1276 12775.1968 13386.9593 37539.9493 17258.8570 24603.1706 19104.3733 13325.1384 7686.2383 25982.2670 16102.3186 3345.7924 4131.1310 18786.1777 19373.1898 15505.4166 11824.4097 18330.2667 11959.4654 14164.6687 9804.8196 13675.6720 10314.3024 32172.1881 13934.0426 9277.8333 18694.3917 10015.1795 6008.8094 12809.7315 32755.0146 13578.9892 Methylsuccinic acid 7786.4177 7402.4913 8136.4572 7757.9922 7367.2693 9287.6767 3911.5683 6813.1678 9113.0071 5734.5641 9230.8664 7186.9874 5984.6527 5654.9575 6093.4509 6918.9635 8423.4044 8349.9888 3571.3572 4502.9157 9839.2408 12885.4022 11426.6769 13373.8978 8182.2539 5835.2129 12266.0535 6359.9933 9669.1219 7110.3542 16128.4345 19731.5938 8818.9525 4441.8385 7480.9655 7371.0913 9664.1074 20117.6271 14571.6916 6477.5565 4161.4921 13813.6318 9632.4995 7538.5497 12000.2978 11843.7607 7861.0564 6311.9723 6261.8438 7182.4512 8824.7962 14027.1528 6663.9520 3910.2397 7114.0567 8214.6480 5199.2420 11400.2431 11214.5001 11260.7966 N-(2-Furoyl)glycine 582.3584 293.9537 6505.1555 329.9167 249.3644 8478.2169 2415.5467 242.5254 1188.1242 680.4991 534.5238 809.3768 1532.3068 326.1553 445.9459 594.7649 2080.3465 444.3229 1280.7776 1321.4909 231.8037 1515.2861 68.7265 1072.3601 255.4750 875.8131 150.5201 2335.8247 587.9871 1865.4913 196.0759 288.0057 2487.2854 471.7244 1548.8704 2481.0107 1111.1059 1921.2655 901.5741 4444.2879 133.5888 2603.1297 197.9100 20106.6956 766.3696 1773.2638 1115.0366 1942.8272 55.0060 787.6919 859.6352 891.5511 2310.2335 1353.5166 14022.4738 21232.6105 1271.7835 923.6381 836.9030 3079.8846 N8-Acetylspermidine 1520.8145 1194.8155 1362.0438 2126.3134 977.7406 1181.0151 875.8313 2434.2366 825.8747 1366.6222 1351.6388 1081.8747 1507.4437 1333.3997 1611.1226 765.2778 573.5084 1014.8739 1011.9814 597.8359 2260.0865 1564.5192 1608.7416 1702.0257 2117.4648 974.7488 1737.6612 1657.2874 3263.5566 1308.7740 769.9564 1540.2974 1691.8062 4467.8904 1248.1380 699.5295 2018.0901 1347.6361 915.9173 1830.2161 1001.2410 1501.7063 1146.9984 1799.2662 487.0179 1416.4702 822.5680 1739.7610 656.1430 1110.3104 1357.4578 3425.8221 1305.1629 1568.4527 2373.5923 674.8040 2311.0805 1232.9105 1971.7224 2580.1183 N-Acetylalanine 3996.3149 5102.2758 5356.5129 5677.8671 5605.4806 7046.2813 2707.0557 5926.9021 6925.9936 3969.5781 7956.5403 4910.7602 5329.9231 3802.5872 4283.3678 4599.7862 4983.7327 4319.5256 3441.3180 3784.7312 6418.0660 3941.3850 3399.2465 3710.9192 3792.9421 3211.7575 4632.2789 4935.1591 4757.0743 5230.2125 5231.8777 4396.8878 4617.2572 2256.2753 4149.3217 3833.6869 5664.1262 6328.2582 3901.3571 4826.6119 4201.2988 4272.6965 4598.5488 3379.7817 2947.2341 3384.1865 3467.2925 4394.1255 3192.3125 4820.4230 7208.5235 4173.2965 4225.1075 4541.2514 4947.4481 4557.2988 4380.4854 3988.1521 4206.6218 9125.2494 N-Acetylcytidine 382.8290 472.7848 607.2624 869.3306 688.9417 662.2853 283.6833 488.0450 838.0398 691.7470 853.1053 511.3684 1452.1922 359.7301 641.4761 501.3889 456.3252 988.3660 526.6953 361.0460 1651.6016 506.0071 737.0008 423.4103 555.6190 374.4948 602.9711 650.3041 887.2984 501.7781 640.8333 574.9448 492.9363 431.7162 411.7873 571.7400 695.8238 794.9612 933.3341 558.8516 525.5840 645.6175 1040.5668 445.0157 427.8958 502.1869 619.5717 588.2471 389.9533 558.2976 800.2134 919.8739 363.2068 611.4061 556.4367 387.6803 860.1079 461.8190 1005.3363 747.6422 N-Acetylglycine 2234.9195 2590.8161 2895.9543 5011.4353 1491.5473 5117.3301 1091.0393 3398.3500 5724.3526 1861.5306 1906.1573 2215.9298 1912.6210 1953.0947 2365.8003 1875.6410 2077.5893 5290.2197 990.9136 1996.6938 3050.7028 1559.0489 1437.8297 3085.4457 1521.0952 1508.6031 1542.6085 1513.2982 1804.9838 2668.8246 2516.7053 1880.5709 4729.4067 857.8498 3750.3106 1559.0327 3567.6051 8686.9488 2293.8914 2053.3909 1976.1690 1389.3688 1145.2392 1453.6067 1266.6899 966.9104 1318.9950 995.9910 3882.8343 2825.0067 3600.9605 2300.3004 3168.8306 1039.0999 7153.0342 2503.1624 1575.0266 3147.0564 2545.4484 5793.4746 N-Acetylhistidine 83.0577 2.2354 2.8644 1387.2999 2.3197 2.4127 609.1038 116.7715 259.5220 43.1170 2.6660 1318.4261 1317.7470 1.9186 848.4407 2.0299 2.7573 1101.9713 55.2122 584.5507 4.1394 343.2643 1.8086 718.5399 517.2194 54.4478 1.7813 64.9363 3.0387 56.1601 2.3912 122.6691 33.9057 1.8608 1.9656 913.4587 145.8012 64.1731 265.3497 900.9310 1.3494 748.9163 118.7460 871.6631 1.4781 1.7840 1.9241 300.5701 1.9645 2.0949 2.6410 959.2794 750.2305 781.3218 762.0764 30.3567 597.2972 2.0897 964.2807 59.2093 N-Acetyl-L-carnosine 2159.4994 3284.9044 2413.2953 4222.9343 18941.2587 1886.7290 1018.6512 2829.4632 1351.6771 3704.3147 8373.7622 2334.2055 4729.5240 5128.3126 5025.4676 3279.3269 643.8183 2542.2339 6565.8923 2382.7473 2073.8156 5202.3000 2654.1071 1339.8213 1367.4967 9983.2073 5877.4098 7594.7242 3843.9470 2790.9117 5570.2281 2096.0418 4010.4326 1128.6029 2695.7815 2482.9039 1155.3490 2894.3399 3898.2835 2202.4790 1234.6839 4736.2499 2867.4960 1249.8847 1521.6537 5987.8871 3174.8239 3410.2217 2888.7973 2044.6470 2425.7295 1759.7052 2294.7526 7011.5644 2053.7084 7334.3039 968.5403 2943.3127 5887.7968 1920.7882 N-acetylmannosamine 2375.3820 2738.7337 2106.4778 2451.5596 1557.0363 943.5152 3983.1629 1732.1830 3599.1510 3008.8530 2821.4255 3575.6892 2790.8242 4275.6233 3370.7390 3550.8394 2429.7783 2595.9116 3460.9542 3481.4860 2897.7795 2658.6254 2003.7169 2715.6741 3094.1734 1666.3510 2199.1108 1713.2321 2990.6094 3801.0673 4058.8950 1529.0193 1703.1906 1935.0091 2934.4182 2855.0003 2999.7662 1735.0773 3841.0226 3645.4905 3138.4030 1569.7148 2143.4583 2547.5973 10695.3095 2535.6733 3278.6994 5715.1004 896.2296 3166.1970 4720.9035 1780.9764 2317.3996 2655.9374 2813.5934 6319.2115 2545.7315 3122.6855 2751.2895 3427.4312 N-Acetylmethionine 644.4129 1015.9844 1562.5550 1974.5517 1542.5800 832.3804 581.0616 1670.7307 1055.6598 931.7026 1604.9044 1011.1412 977.0298 893.0900 936.4865 225.3205 887.8351 1048.9555 750.4500 708.0253 2160.7420 1165.1839 1222.6074 838.4363 967.0435 630.1339 838.1031 654.0686 337.2950 1018.2066 1109.5024 2238.9780 909.3675 986.2482 1196.0503 657.8796 1567.6145 1098.8015 1487.5973 1360.0856 943.2176 1727.6724 1162.8312 839.9359 775.2379 789.4056 918.7748 2503.6765 228.8643 1065.2695 1657.2077 1556.5202 1164.6435 1256.9406 1400.5001 796.8632 1278.2159 1335.3048 876.9059 2018.1322 N-Acetylsulfapyridine 18.1390 25.7070 1.4322 31.3421 51.0327 32.5714 8.4779 43.4150 32.4403 0.9373 154.6253 16.2339 4.6043 17.2670 37.7339 1.0150 60.6595 35.3439 9.4442 16.4112 248.3611 39.6600 0.9043 11.7381 25.0773 11.2880 386558.8169 15.9988 50.1384 64.7062 23.9117 23.4671 264.2904 53.9645 15.7246 20.8250 23.1271 26.1931 22.5394 15.5491 820557.4505 61.9793 17.5920 34.2320 13.3025 13.3798 0.9621 16.1164 0.9823 25.1391 21.1277 1.2314 1.1908 21.7841 17.4727 24.6648 0.9189 16.7174 1.0527 68.2412 N-Acetyltryptophan 1232.4994 1245.1118 1965.0095 2085.0738 1737.4322 1700.9513 773.4445 1678.2160 2051.8459 1272.8895 1763.5287 1451.7761 2310.4314 1249.9423 1390.4365 1598.5577 1174.5893 1582.9004 1091.1673 1051.8786 2028.2827 2421.9961 1720.8742 1449.6564 1088.5117 1017.9087 1527.4675 1329.7826 2070.8695 1596.8996 2050.4274 1936.0386 1221.4736 1094.1772 1151.8250 1215.4207 1454.9957 2522.3976 1773.4373 1544.8451 920.2781 2009.1616 1479.4872 1864.3905 1209.7849 1244.3174 1259.3468 1219.2026 1691.4345 1262.1925 2110.1338 1760.9366 1665.9880 813.9979 1576.5707 1209.2083 1038.3781 1663.3844 1707.4926 1714.0576 N-.alpha.-(tert-Butoxycarbonyl)-L-histidine 57699.3025 62309.2379 52194.4919 58215.4585 62621.7892 52563.0146 23879.6094 53226.8441 35015.1957 48039.8629 52864.5390 48351.5655 32361.6943 53841.5268 33360.1859 43216.8795 47794.2033 37537.7122 22955.9230 48894.3815 32164.8384 43937.8267 51965.3364 28766.7504 20844.7248 37858.5001 65639.2400 62173.2170 50527.3914 66312.8432 49388.3990 63354.8645 53673.5499 32537.8164 55634.5216 42911.7355 30608.2019 56033.6356 39230.7682 27155.0655 35871.9538 32212.4391 48740.3948 24664.5583 27748.9334 39452.4428 36856.8193 29065.8550 32504.6172 55759.5779 50945.6024 36803.5744 29999.6923 55370.0103 34613.3201 39053.2551 14426.1046 42190.6164 52222.7468 46378.9068 naproxen 347.7155 907.5475 314.8969 622.7305 412.9319 729.6251 645.6039 268454.7888 639.0010 480.7717 408.4176 659.9562 216.9086 954.0965 1019.3334 317.6534 282.8979 592.5339 260399.6800 634.6079 1848448.5670 309.6947 420182.7134 322.3558 392.1908 280.4749 255.7106 352238.4939 447072.2340 860.8040 1581.2694 151037.1712 336.9691 109052.6140 276.5682 567.6084 692.0233 976.7323 276.2519 132505.2746 268.2483 455.2585 2552.6928 525.4109 1162.1272 256.0291 780.5465 51124.6606 594.3195 730.8206 1010.7030 454323.3413 442.7712 275.5864 766.6168 357.8218 353.3845 907.4722 802.8674 549.6824 N-Cinnamoylglycine 348.4603 549.9057 1526.7494 263.9334 658.7860 746.7297 500.1955 297.9170 2205.9371 139.6617 625.1663 176.2540 269.8112 336.7074 273.2848 653.6325 104.7756 223.4237 380.6736 729.9069 182.1315 160.0076 111.2283 2368.5826 572.8596 258.9592 833.6499 649.3630 171.6862 1590.7952 194.8803 269.8721 958.9220 539.6452 529.7215 787.5623 3337.3397 188.5905 483.5716 744.5257 236.8164 692.1019 189.9936 1282.4468 162.5856 791.1896 119.2964 98.3098 251.4560 477.6430 225.8028 334.9474 2054.2025 84.2317 3919.2499 1175.0571 244.4324 701.0873 431.6103 336.1881 N-epsilon-Acetyllysine 948.9577 828.2117 982.5048 818.1935 1063.5683 764.8249 463.0233 1023.9962 777.2143 694.5590 785.1235 715.4520 988.0801 737.6866 886.1746 790.6517 839.5832 903.7932 589.1722 1158.9420 1055.5349 746.7024 646.5712 808.2526 450.6078 515.2623 795.3519 908.1671 1069.6200 940.0709 902.6663 910.9515 659.8566 433.5770 695.8123 1112.2425 806.4316 1756.2488 1311.3805 1286.9136 641.6308 968.4262 547.9908 658.7569 642.9523 739.4546 708.0819 1020.1656 469.5155 903.9602 1040.5416 991.2965 578.7492 690.5549 782.2371 837.3388 966.7025 1451.2820 775.8459 1678.9335 N-Formylmethionine 1215.3151 1167.9908 1417.9005 1939.9104 1410.3589 1681.6497 633.8854 1314.4279 2339.7531 1140.7265 2066.1145 1310.3091 1333.4016 1130.9915 1319.5426 1151.9765 1385.5190 1380.9354 866.6862 1123.7752 2123.4878 1590.5034 898.8696 1026.2461 1071.2711 1004.6287 1828.5077 1403.1888 1305.1188 1677.4771 1135.8052 1595.7652 1029.3415 484.7503 837.3335 698.5829 1926.5872 1386.9258 1339.0425 1258.5594 968.8558 1335.1370 879.6000 1274.0976 826.2306 811.7052 1797.1427 1209.5328 1486.1443 1447.5933 2148.4279 1098.4304 1393.2852 1080.4896 1215.0212 860.1063 1492.3240 1144.0992 959.0171 2269.0189 Nicotinamide 16523.7024 12989.8465 13654.8112 16764.7192 123770.5885 11882.5322 6604.2768 22472.5251 9692.8766 12853.5596 11512.9232 15523.1044 13566.9932 13010.7190 11889.6046 18636.6449 8711.5372 14246.1033 8360.2887 8287.6469 14787.8367 17975.5601 24877.1671 5581.4706 11672.7011 5719.6773 8536.8954 9981.3687 12647.0413 9321.3520 4532.4607 31354.2258 8583.3516 38823.7530 5935.0435 8832.6253 3902.4452 14136.4278 9254.4534 5058.0185 3596.1013 41424.1094 10053.8279 7910.9269 8721.9802 5698.8844 6152.4239 78834.7859 10013.0566 8702.3195 7735.3967 4477.4583 10702.0973 5999.3315 6334.5077 4473.8179 1811.1888 15293.3148 8926.9653 9219.5827 N-Isovalerylglycine 905.0422 1258.5241 2131.1474 2733.3602 5394.3907 1478.9832 735.6201 1136.2765 3098.0440 739.5507 1211.6762 742.1220 823.2466 961.1989 965.0727 1809.6688 3380.3908 9371.1741 401.7414 2386.6548 1041.0471 779.5244 452.1477 1700.3489 531.3254 1101.5724 1318.1643 768.8835 996.6914 1507.7760 560.7291 2061.9078 850.2500 422.4120 1967.5372 589.7252 2251.3720 1085.7049 1646.3973 1273.1938 727.3165 1142.7430 511.9272 2125.7224 398.3348 896.4437 1324.7674 732.4886 867.3268 835.8752 1181.8334 1737.5395 2080.4010 583.0868 1085.9924 1089.0464 800.3782 937.2210 720.0524 946.3445 N-Methylalanine 2293.1554 2895.9467 2901.6832 1801.3454 1477.6293 2942.2839 1143.8631 2224.6467 1988.3170 1687.1879 2808.5828 2110.4094 2073.7710 1325.7254 3178.7941 4261.8055 2214.0732 3334.9464 1274.9658 1138.6234 4265.6027 4284.6493 4239.3369 2344.2680 2694.2428 2699.1512 3180.5168 4367.6723 3591.7354 1191.5703 2375.6263 6512.1300 3119.3219 5424.3650 2925.7533 2293.5860 768.2216 6068.9463 4961.7312 1158.8625 1632.7514 4210.7173 4330.2708 2501.4392 1301.4241 3881.9134 2036.6976 5174.1573 2400.6190 1505.2038 3641.8955 3850.6634 3537.9917 4680.6694 3714.9542 2424.7410 665.2971 2237.0012 3786.5913 1717.0683 N-Methylanthranilic acid 354.1884 390.0754 771.9680 719.2185 450.0158 1641.8402 380.2008 1215.6212 732.6090 927.9533 1280.9910 505.5706 430.9613 450.8618 527.1310 634.3483 460.4611 588.2229 422.8092 332.9125 1026.5594 537.4616 374.3783 1794.2537 309.5480 393.0867 432.8567 451.7308 496.8263 1430.8611 504.5366 726.4145 413.8231 388.9167 294.8357 2570.9367 839.6139 513.3852 627.0038 950.3221 317.7793 581.0557 355.3584 855.7995 342.1689 454.0197 413.6892 478.6559 681.6815 748.9358 538.7576 575.0751 712.1235 339.1053 586.0058 324.4372 597.2972 496.2987 448.4537 644.2769 N-Methylglutamic acid 1537.9989 3541.9742 2007.9762 2170.8522 5440.7841 1768.5068 940.3937 2167.7581 1592.2756 1562.5234 2110.1028 1612.9557 1409.8328 1591.4461 1829.5218 1520.4060 1512.3526 1875.7496 1161.6355 1349.6243 3234.9040 2296.1781 1836.6240 1128.5353 1310.2891 2406.9921 1970.1213 1739.1636 1987.3054 1664.0475 10114.6446 1609.6321 2170.8325 1023.4651 3754.2418 1505.0771 1670.1782 1436.6927 1853.3495 1294.2308 1749.4729 1969.1333 2066.1804 1281.6119 10395.1341 1646.6021 1652.8326 1297.3670 1355.5050 1793.2560 4550.3887 1994.9072 1506.4152 3553.7071 2120.9109 3067.2910 1621.8915 1566.2143 1724.3360 1519.3696 N-Methylhistidine 4343.8205 4552.3701 9772.0555 8610.8269 6128.5660 5506.9807 4416.3289 8316.2265 8481.7739 4566.6552 11431.6116 8571.5087 13702.3592 3365.1554 34305.8200 7757.3182 20289.2376 39835.0637 7585.1385 6964.5930 12815.4353 10947.5318 3106.2548 8605.7105 7625.8512 3112.1578 3116.3899 7776.3577 6083.4639 3719.9947 4656.8015 5290.7723 5391.8714 3516.9983 3296.2636 6499.2825 13502.1989 3985.2835 5953.4627 28670.6417 1569.3305 38689.2737 2824.3956 26143.2128 1323.5949 5788.9748 5937.8828 13982.5538 9803.8373 4048.4430 6131.0083 16656.2434 15006.9912 3350.3892 9624.7422 2455.7301 23448.0484 7923.0174 6733.1214 10477.0267 N-Methylisoleucine 1780.4891 355.4269 780.5614 927.0660 439.5773 300.3808 224.9902 700.6290 560.9460 389.9279 577.1791 567.0276 428.1987 311.7661 428.7942 699.3055 872.6702 1031.2836 371.2294 382.1461 1072.0923 284.4580 333.6850 714.3478 607.3409 227.0873 840.7751 1301.5494 349.4497 672.7001 475.8426 188.8038 307.7592 226.0927 1541.0081 415.5527 631.4701 260.6216 381.1200 306.4080 649.0524 333.1386 372.9504 496.7812 197.3198 525.3784 374.2444 506.8595 323.1603 572.9621 606.1023 304.1618 462.0467 464.7267 538.9641 648.8743 838.9728 291.5102 400.0291 523.8513 N-Methyllysine 27610.4690 11696.6739 18693.3707 8864.8628 7419.4619 30468.7428 6424.9368 6721.8465 5504.0292 22254.0081 7729.9342 14158.2957 4071.1109 7067.9774 22955.9244 3494.4978 3330.7602 6000.8839 5188.4934 24168.9822 3735.7656 6212.9466 6672.7959 4062.2240 6825.7285 3831.9315 12252.6938 24517.6897 29227.6710 37274.4203 6374.8564 19031.8465 48074.7670 5242.9326 4542.4360 19728.8154 28856.5761 58067.5315 29769.3626 26249.5613 3976.6268 10403.4802 5973.3636 3734.6254 3025.5708 3567.0431 4916.1667 13159.0078 17000.7831 34956.9702 7760.4859 16813.8657 27765.6727 10592.8647 4501.2235 28508.0983 24753.8319 43174.8552 23934.3729 41033.0140 N-Methylproline 9931.5967 23605.7097 11079.6748 11182.5279 9753.0491 5632.4409 3647.4494 14445.2331 21736.3197 7570.7869 7098.1031 8490.3392 3418.2230 12031.2938 6510.8106 6197.3289 15014.6149 15701.5133 3144.1892 4832.7024 9323.8915 23451.3774 6541.6731 20578.5812 5212.9444 4936.1598 8824.5758 10199.7052 12894.6948 10114.9184 8792.3282 3407.0013 5770.9194 2570.7582 7872.1143 6570.2767 9885.3230 6495.8942 8617.2044 6647.6815 2808.7373 9373.0747 4246.7088 16869.6862 3408.3861 9007.2522 6123.5619 4676.9676 7101.6676 8731.6484 8093.2479 5059.9220 6440.0737 6796.6283 9807.5330 4844.4225 7696.8630 7235.5131 6904.7129 9865.8668 N-Methylvaline 1404.3429 1544.6539 2065.2651 2862.0277 2116.6981 2281.2049 1115.1687 1613.8420 1949.1184 1715.3077 3183.1493 2159.1111 1360.1065 1539.6449 2429.8336 2882.4786 2237.5099 2583.8892 1204.4976 1739.5853 1417.7282 1801.1117 1226.2246 949.9484 923.9419 1365.8435 1411.6828 1328.8415 2139.2400 1653.0597 1842.3957 1492.2965 1525.7553 1434.7120 1323.8125 1590.2701 1391.6475 2445.1279 2673.9869 1607.9560 901.3867 2439.1429 1497.9588 1709.9291 1307.3363 1502.1007 1267.0434 1051.5925 1697.3280 1520.9157 1894.8949 1577.4544 1599.3008 1902.4750 1651.8375 1313.5595 636.8107 1995.6433 2457.0209 1974.9797 N_N-Dimethylformamide 1162.8073 1556.9486 1800.3039 2052.0821 1324.5311 1472.9515 748.6630 1988.1096 1478.7348 1221.3366 1316.9814 1457.5739 1037.8064 1115.6430 1422.4532 1080.9295 1458.5862 1465.5082 957.4957 870.5741 2270.4348 1780.5979 1015.5238 952.4637 923.9419 816.7173 1210.3955 1191.4400 1850.5642 1469.9290 1409.5941 1102.9553 1140.6216 1146.2809 1046.6669 1213.5276 1175.4595 652.2087 757.1174 1190.8752 768.4727 1682.4792 966.6804 910.0697 858.7478 1048.0809 1168.9124 1009.6899 1172.8065 1282.0943 1411.5977 1577.4544 1490.9342 745.0150 1678.7185 704.5283 1124.7565 1140.9647 1270.6188 1260.4545 N-omega-Acetylhistamine 268.2667 192.2435 454.0146 448.6868 244.7251 325.7141 120.6469 254.5020 210.8616 237.1436 317.2486 195.9666 318.6167 100.7244 246.9854 382.6389 213.6870 234.7843 148.9276 168.8007 1620.5565 455.4064 151.9216 181.1022 198.2674 183.9274 175.4584 351.9736 457.3233 250.2786 236.7257 298.6726 204.3034 696.8867 240.7825 54.9022 225.2378 269.7892 291.9871 283.5417 683.4617 482.9219 125.7828 226.2650 140.4149 246.1875 192.4136 334.4145 213.1483 194.8280 352.5693 325.0960 292.9471 795.1184 338.7006 74.6269 230.6486 287.3308 290.5475 186.6597 nornicotine 1942.7593 1458.9416 1539.0185 893.2195 863.9355 1229.3683 2211.1449 1155.4470 1597.9917 1200.5067 797.5797 1300.7100 1787.2470 1238.1111 1036.9249 1427.4172 914.7031 935.7950 913.6762 1630.8068 1202.0574 1126.9722 904.2008 3458.9478 1673.6161 1328.6165 1369.2577 321.4830 1187.8634 3242.2310 949.9757 750.3521 1310.2209 781.8427 1521.6241 1998.1012 1334.1171 2492.4206 1163.1122 479.8487 750.6872 1051.6265 1028.9023 3831.8247 1281.1936 1736.0745 2205.3216 1999.1379 931.0654 3109.1016 1039.4105 909.1698 1062.0593 897.2335 1509.2455 2396.0220 1243.1737 3153.0981 1314.9401 1230.7226 Nudifloramide 108522.9576 57348.9093 55047.4795 78577.9198 629748.4287 130963.6004 117111.6253 47425.6959 39006.6983 147416.1662 45543.8287 38350.3124 165038.8394 123005.6383 63015.5903 150379.1102 100758.2538 50808.0724 50665.1801 40272.2591 54438.6941 98198.1982 22443.7081 94407.9304 64003.5476 62974.2178 23851.6493 147275.5370 77115.9573 80029.3317 89494.2801 36258.8570 96844.1656 28097.8387 29650.6477 61983.6179 147817.3033 29801.2242 30025.4916 20043.6561 14105.7580 79571.0644 30494.8522 106617.5859 34604.8739 53366.4978 20716.2070 260524.1804 17467.3519 81352.2322 47620.6231 45946.8990 100934.5793 87054.9328 28449.5067 37634.7121 54072.8519 34707.4764 38957.5712 42271.3905 Oleic Acid 3537.0643 7204.6788 1805.1442 8798.6280 3209.5072 2855.6761 2949.3275 4928.8638 11351.4597 7608.2143 5499.3197 4678.4372 4848.3672 2556.7366 8388.2597 7788.7327 4524.6095 2642.6699 11167.8523 7025.3439 4275.8700 14569.5761 25909.2699 17751.5913 69306.4671 51603.7213 21065.9484 10098.3155 10751.2143 5573.9977 9769.2484 4090.4533 11428.4559 7923.5385 4858.8604 11273.3485 16619.6926 11035.9751 3265.9504 4125.8816 3631.8100 8539.1264 7279.2196 3004.2591 19896.8850 6616.3794 33954.7822 10065.2811 14526.1143 3245.3520 4571.2414 1633.1461 11015.4647 3873.6313 3461.7417 11131.0829 12119.9032 3400.4619 5701.6174 3666.2315 Ornithine 18427.3586 10959.6987 14489.8448 21616.7354 7982.9732 14957.1310 12357.5984 14258.5878 9776.0049 8350.1892 6440.6169 16821.5880 7111.4435 9670.2725 9792.1629 17187.9096 12849.4016 18893.6003 6142.0242 7775.4155 12866.0049 6934.6628 5183.5123 11510.3665 5783.6079 2933.2457 4356.3750 2572.3116 10670.3276 22142.7916 10970.0419 12478.0715 2744.3538 2869.9198 9571.1344 12898.0157 12449.5901 8446.4998 6968.9332 7790.8679 6448.7667 5672.0919 2882.4073 8519.8790 5052.1720 13093.3521 14201.2766 11899.4132 6482.2772 14233.8697 12348.4079 16203.2674 5354.2105 6779.0786 5176.9369 5162.0086 12161.9350 14276.5897 8000.9823 8049.8861 Orotic acid 731.2893 736.5607 590.0758 1309.7695 1213.1870 1045.9041 463.0233 663.2022 1048.9014 633.6328 1310.3165 648.1972 555.2771 620.6544 899.8960 1304.2201 911.2717 964.3827 579.7280 795.5516 1134.1826 775.4217 462.0950 421.7335 518.0030 548.4622 914.6992 1422.0109 616.8547 816.7629 622.8995 829.8832 435.5575 620.5920 647.6558 555.6480 989.4373 1105.3497 1604.3921 458.2400 501.9699 985.2123 445.0776 470.0635 441.9373 418.3404 528.1752 2855.8190 648.2850 743.6985 1158.0647 832.4427 1038.4142 1128.4146 692.1858 908.8035 2355.1886 739.7463 932.6994 634.2415 Orthanilic acid 666.3707 480.6087 585.7791 750.5606 396.6634 723.8091 373.0272 477.5655 624.4748 508.9683 443.8814 762.9941 371.1056 569.8125 506.5488 734.8290 625.8962 964.3827 406.8267 243.8233 1864.7783 2542.3437 1539.1108 2510.2784 1000.7411 616.8540 1072.3445 1638.4653 1653.0491 738.6271 786.6946 2756.3217 2529.8848 1535.1977 1684.4949 2688.3138 651.5806 1703.8626 2039.8114 990.5667 344.7669 2343.5915 1688.8320 325.6213 1991.6740 2807.0730 1373.8329 2626.9667 1317.1973 1234.9584 653.6397 3202.9343 663.2990 350.7234 1130.3461 611.5609 481.5134 1210.9689 2358.0663 1623.7384 Oxaloacetic acid 100.2420 98.3571 110.2811 225.9930 117.1433 121.8412 112.8212 182.6426 39.1986 99.3566 57.3180 125.2331 110.5029 128.5436 197.8170 78.1517 1927.3190 236.0465 116.9627 107.0634 283.5456 181.8890 43.4062 25.9915 79.9339 320.7110 140.7229 144.9303 109.3930 109.8784 3176.6679 339.2068 72.1582 115.3724 211.2989 142.9350 214.1770 100.8435 181.3393 137.1976 72.1919 202.7239 32.5452 171.9948 3460.8569 80.2785 1828.8910 24.1745 280.9235 70.1800 50.1784 55.4141 229.8325 60.9954 165.3182 857.5766 147.0270 133.7394 151.5900 148.5249 palmitic acid 108408.3933 191887.2926 113125.3813 111373.8795 193666.0307 100134.5500 193109.2436 180578.5970 169791.2712 192555.2119 192397.1010 239483.2485 127912.1077 160300.7344 226274.4186 121496.3690 223817.2666 100880.9464 330845.1958 192085.0748 204817.1148 178613.7190 323387.6196 271134.8916 305563.9944 196592.5363 135092.3695 200624.5120 140621.9824 173518.6752 238065.5211 99768.5077 189895.1335 189378.1823 137546.2357 205730.6013 232178.3110 157533.4024 129945.4238 109816.3945 113017.1854 151204.5307 158140.0620 100445.8519 322927.6949 139811.6075 228935.4094 187367.3074 208488.9743 124623.5900 214779.8256 107923.9121 206344.2214 182451.8575 125739.1409 106056.5931 135300.5187 141127.1371 178252.2267 121858.7176 P-Anisic acid 1154.2152 536.4934 1871.9151 1265.2307 1871.9730 911.9994 470.1969 568.8868 1703.1132 242.7676 2110.1028 1180.4378 2071.9293 1790.0171 1176.6112 835.3098 2369.8580 1377.1486 880.4892 1021.4007 1715.7616 1631.5310 761.4167 1039.6610 771.1271 788.8294 799.8051 651.2452 913.1273 1709.2198 1316.3385 1228.8245 483.3732 424.2728 939.5432 1069.6460 829.5587 1770.6550 1228.3947 387.8119 1196.9013 1345.4668 1090.7040 1052.0072 847.6624 1112.3038 788.8956 568.1017 467.5510 956.3334 1341.6120 1136.6045 1059.8494 525.7221 1498.6158 1029.5979 1119.2430 1370.8293 1294.8310 793.8054 Pantothenic acid 13865.8571 10236.9647 9749.1399 12361.9803 41140.4928 65849.7365 14220.0312 11630.7406 14487.2753 14663.5373 16414.2801 8273.5004 53212.6701 12573.2872 7406.1328 27620.0315 19524.1002 10100.7725 5450.0248 10185.0921 4787.1611 18370.7927 6134.7401 19678.9390 23971.5511 4876.4000 5400.0205 31958.0725 11417.8899 16084.9788 46566.8196 7415.6147 10377.7441 5370.4005 5554.7054 7232.8893 8160.8465 12744.2633 10060.7475 4700.3901 3287.7677 14478.6178 13778.9339 20420.6279 20503.5264 9491.5994 5209.5974 31174.6807 11026.7386 24189.0544 58658.5509 5995.8043 10719.9599 7255.5459 3763.3400 5848.0907 8552.3763 6482.1839 11069.2264 7330.9080 Paraxanthine 55600.9030 7622.6771 17871.2749 8930.8462 24443.5140 8676.0580 37801.6102 17074.0889 64807.5111 19606.0605 46550.2264 87911.3047 9898.2970 6268.8969 70348.5422 24344.7645 15226.9233 50443.2732 16491.0109 35129.3073 26510.4830 7952.5169 56540.1670 60303.6944 6365.7167 23755.1862 12650.8150 16266.0735 40528.5712 45058.6955 36947.1469 13330.3994 25818.7354 1823.6287 17513.2430 49181.9434 92175.5340 47722.5580 22506.5684 18738.4495 24325.9723 34900.7903 38876.5605 53365.1505 7447.9000 46987.0298 87725.1947 16968.9153 9926.6186 144819.0400 245104.3230 9829.2278 32842.2322 9876.1689 14285.9076 46082.0947 63371.3902 69991.7041 23521.7113 13667.3013 PC 28:0 5194.9682 1218.5159 5220.3302 893.1028 6559.3176 1192.6935 3114.6275 1225.3923 1591.9287 1803.0430 2662.1730 688.5575 1100.6552 2435.7894 3068.4442 1792.2852 2686.6265 943.4027 1334.7229 5368.2516 623.8860 1244.5404 3608.0386 628.5697 886.9398 1691.2057 4462.1491 836.6482 2088.7746 1669.6495 1352.5559 9413.4608 1566.3127 726.3558 2341.4103 1006.6918 3165.8226 1010.0028 1517.7141 634.7157 3963.2132 2494.8086 1146.6855 244.3632 2332.2407 2418.4950 3331.9711 1657.3784 1314.4354 1877.3967 2343.2732 2987.1356 2067.4291 913.3028 1503.9043 1877.3645 5399.1582 2321.9508 1696.0822 578.0733 PC 30:0 332514.4490 117719.9702 260776.8396 107163.7602 562740.9159 125644.5117 260945.0730 118815.7042 147225.9913 140148.5536 205533.5542 93480.9749 95703.8441 205383.4354 101410.2836 154546.1914 310668.2012 112512.0193 89940.1679 372994.2634 113166.1074 109430.8481 207526.8217 103247.0160 106216.2772 83970.3307 210255.7979 109054.0074 176231.9846 147581.2351 128355.4016 346453.6991 106138.8655 57810.1905 234719.1966 123106.1134 375078.9528 112126.3001 193154.1528 80975.0177 169643.5365 109605.3241 103474.7148 49223.9143 197854.1909 84260.3105 161879.5832 196122.3995 163452.4612 171497.9578 195290.2318 159185.4840 201622.5061 99561.9156 196892.4301 181513.7512 282848.2283 180787.3835 167877.8223 77933.3416 PC 31:0 12348.0397 8108.9766 9995.2827 8992.2833 19320.0120 9614.0689 12467.4625 9243.9896 8924.0270 7270.3116 10096.7079 6933.5513 7343.1346 11337.7968 5905.5297 7091.9679 12351.9398 9239.8745 6534.3132 13553.3533 7045.8662 8972.5178 7718.5230 7234.7665 10756.5698 5785.4009 10209.7426 6693.1855 8204.3778 10702.8576 5617.7338 11550.5657 7862.1017 4448.3540 7652.4402 6835.2916 17815.2752 8913.2002 10847.1081 5191.7643 6815.7972 7155.8751 5486.7341 6584.4431 12298.4877 4553.2713 8759.0914 12166.2268 6138.7484 10887.3756 8427.1021 9712.5220 10432.6059 5844.4760 9990.2215 10056.5892 12926.2885 11231.8695 9066.3188 5606.8210 PC 31:1 2091.8868 903.9436 1592.2977 917.6049 2203.6408 1474.9680 2030.5711 1032.6213 1319.4992 638.8170 712.9794 610.1741 584.7009 1083.4486 554.2153 962.8574 1789.6497 1029.8886 602.6506 2543.6699 941.1523 701.5659 1099.0003 701.3702 564.9100 343.4212 1342.5442 830.8300 1269.7070 930.1931 776.7615 1950.1200 624.5549 422.5568 745.3330 518.9778 1722.1433 583.4240 990.2613 460.6565 999.2759 546.2651 820.0361 440.9992 1482.9347 246.5322 831.4666 1544.0351 1298.7962 1528.7218 1191.4695 1404.3920 1390.3659 703.5079 1551.3247 828.8654 1147.1024 780.3971 651.9971 516.8367 PC 32:0 10099.4457 8311.6861 9838.9495 12192.2676 18684.8384 8659.8919 10637.4340 12311.1146 8793.5571 7565.9379 7673.6824 7883.7683 8309.8511 11271.6599 5986.3228 7473.2057 10308.4180 7818.0802 7991.7266 15101.3331 13292.1182 11742.9135 10377.6217 10222.3433 11080.7057 8327.0693 10407.9582 7058.5504 14416.4661 9015.0936 9539.5435 10177.7919 8914.7689 7023.5877 13086.6388 8789.1541 19291.1437 10770.5189 8850.2756 10591.8506 10071.2821 10513.9288 7189.4409 8932.3689 8624.2312 6813.2258 8931.0171 10616.4829 9291.4477 8572.3489 10995.5941 8188.7728 8372.2950 6176.7553 11382.1350 8703.0668 18183.9528 9964.9717 7855.1249 10732.2725 PC 32:1 15703.0907 7217.7041 14556.9760 8668.3917 22436.9059 9965.0561 16532.0050 8993.2810 11429.8251 5491.6287 4052.1220 5734.8721 6371.0137 10335.9284 5091.7311 11603.3294 17899.5024 7787.0726 5445.1024 36625.9836 13471.1783 3745.0228 11241.5329 7042.5482 5195.3193 4077.5639 9747.3599 7287.8624 21101.5766 5992.5899 10172.1441 16148.5503 4609.0592 4658.4747 11663.2504 6846.8936 14041.1615 4327.0475 8412.2481 5442.7679 11237.8257 3757.0291 7136.0417 4892.6249 9928.3604 3789.9680 6786.0555 14369.4501 32131.1404 9912.4168 13263.9905 9324.5347 9405.3659 8094.4188 15697.2747 6045.9482 10662.9703 5543.0817 5424.2796 5431.5494 PC 32:2 16681.8698 13578.8977 17098.8507 6660.8071 16107.2177 15449.2509 14307.4006 6206.2315 12217.2109 9578.7480 9064.4805 5397.3072 3907.7175 11967.4056 5290.2217 13978.0569 18964.1033 7920.7313 5519.3915 19420.3287 7078.5473 6597.8963 9210.2143 8234.5676 5773.4492 5882.8280 18029.6039 8000.0026 7575.3212 10110.7386 7142.3717 23936.0658 8146.4451 4679.6388 7119.3626 4673.2688 13079.2456 4863.4647 7952.6181 7961.5727 13914.3095 5450.4913 7683.5569 6668.0680 16386.1015 9262.5314 11957.5522 10186.5607 10199.4705 11390.7468 8180.1070 13419.3803 16747.2139 7380.6585 6498.2189 8641.4815 12645.5747 7030.9638 6475.0544 4518.5063 PC 33:0 11060.5911 7001.3444 9332.5531 6058.1527 13502.9272 9114.2311 12373.8691 6004.0840 5701.8727 5369.6516 6993.9539 6001.0592 6158.1408 7035.5210 7057.0949 6043.2827 8247.5389 6473.2072 5802.2409 8638.6842 5235.9580 8674.1506 8154.7734 6511.2011 8891.1252 4466.3947 8253.0261 5280.5417 7462.9542 8607.5743 4641.8745 11191.7059 7671.9770 3939.2605 7193.5280 7458.4818 12388.0362 9151.9645 11066.7848 4370.9854 4132.6641 5528.9551 6373.0752 3229.2217 11411.4077 5042.2040 4976.5900 9710.6336 5429.7725 9594.0094 7745.3001 10712.3105 11282.9124 4973.5293 13527.3967 11437.2553 9698.8479 9684.1588 12009.2025 4647.8562 PC 33:1 15496.2398 9092.7814 11644.7943 9095.6285 12658.1571 12701.4057 17222.6526 9406.3737 11126.9322 6340.0010 5928.3608 7642.2209 7271.4137 11943.9514 7222.4087 9285.6950 13203.3167 11075.2005 7999.9714 12670.2365 8569.0389 9395.4663 11072.2691 9269.9787 9355.2498 6480.2147 13092.5024 7577.1325 10561.0633 9612.1773 8833.5279 14511.3075 7914.6176 5010.5032 10307.0398 8482.2010 16082.9005 8409.0721 11341.3753 6484.3274 8568.9503 6453.8198 7784.1516 7027.7389 14301.8849 6150.1560 7991.0361 12828.6169 12595.2503 12873.9626 11718.6807 12249.8787 11197.0201 6506.2990 14064.9149 10349.9784 11407.5963 9636.0274 8782.5409 6121.7894 PC 33:2 14812.2053 14000.1724 10359.9939 9787.9836 11909.1733 16331.4754 12696.0084 7080.8236 11890.9774 9618.3348 9741.0233 7554.4577 5048.1291 12141.0188 7521.4650 10069.6241 11864.5521 11543.6855 7164.1147 9585.3749 7590.4273 10947.7762 8458.6423 8118.8721 11794.1653 7116.2261 15638.9304 8654.4795 5363.1121 15666.7946 6882.2045 14075.0506 12551.6597 4487.2874 5326.4891 5132.8031 12998.7784 9453.5731 8904.0516 7862.1830 9611.2402 7092.7322 6924.0458 7661.4842 21864.9229 7612.8236 11673.4140 10837.0868 5091.0566 16488.2413 7918.7037 13315.5988 16168.3893 6751.5132 6552.3926 9884.1935 11317.4262 12486.4089 6170.1457 6834.0810 PC 34:0 11162.3337 9001.0873 10493.2812 10453.7464 13432.5456 8874.5694 10384.8450 9281.8965 7316.9897 8029.4583 9782.9234 10518.2506 8420.1556 9649.5120 6935.9843 8155.2514 5859.1613 7642.2256 7868.3233 8081.9659 8923.4318 13325.8506 10991.6872 10047.2714 12949.1311 11616.7124 11662.6872 8230.9784 11431.7462 10331.1410 8574.3058 12695.3427 9776.0037 10665.0672 14488.0168 9339.7200 10755.2233 14300.4600 9759.5850 10933.0758 9855.6986 11786.4287 8636.3388 7940.5123 7838.8799 9355.2602 9005.5361 13258.3538 6731.5769 9581.1990 9464.1432 10997.1180 9137.9636 6973.4500 10767.2247 12507.4431 12506.3253 11651.8647 10012.0101 9850.7288 PC 34:1 11235.4081 9129.8931 10707.3071 12080.7315 13468.5528 10155.4025 11406.8367 10932.1846 9879.0258 6187.3695 5824.0660 8583.9790 8744.5398 12365.0828 7056.3118 9753.2987 11507.7625 8834.4825 8107.6054 14628.2721 11061.2490 9359.7035 9841.4832 11091.8964 9176.0687 8605.8155 11936.3629 7148.1790 17186.9744 9342.3911 10638.3981 10567.0872 7673.0576 6323.7004 13603.8306 10388.8477 12406.3147 9956.3071 9359.6011 9895.1546 10520.2921 7725.7867 7979.2207 9670.6282 11309.8105 7664.4809 10315.8687 8838.0218 14276.3436 10627.5267 11127.5885 9044.6795 8504.0599 6615.1765 12334.7893 8926.0028 11424.2132 9173.1558 7674.2209 10097.5985 PC 34:2 10857.7459 12174.0788 10794.6886 12646.5996 13307.5886 12016.6208 9858.1763 10166.5558 9929.6244 8135.1923 8143.6720 7805.2579 7917.3007 11179.4348 7345.1242 9645.0487 10762.7771 8738.9800 8275.2932 11683.5470 11509.4583 11521.3577 8433.0276 9402.9537 9876.7852 10078.6026 13721.4065 6874.8159 14090.5805 11860.3255 9401.1911 10776.8851 10441.7786 6781.0614 11193.8153 7764.8742 9746.8970 10889.2136 7179.1690 12771.3333 10856.5574 8827.8989 8366.5068 9239.1492 14145.6717 10174.7196 12968.7161 6918.4601 9108.5498 12308.4209 8517.5138 9535.3338 9654.5957 7620.0997 8791.4351 8285.3492 10902.9463 9665.7990 6111.8243 12301.6137 PC 34:3 22852.6185 12195.2773 12707.3216 8714.8560 13445.7341 16621.4731 13843.7576 7214.8903 14538.8540 9051.2013 8876.9909 8077.0924 7543.1991 10590.7062 7171.9094 13403.0578 17721.5607 13632.3862 6108.4481 16860.7136 8620.6931 7089.7472 9624.5924 8989.5125 6963.1216 5166.5282 12893.2973 7229.2549 10046.4856 11433.2527 7580.6383 14710.5591 6776.2894 3887.1483 8893.7380 5398.2208 15611.5394 5218.5691 8195.6924 9113.6089 13099.7701 6695.1545 6788.9794 9152.3991 11548.7974 4351.9150 11411.3047 10050.2476 15068.9977 10744.1314 8049.6663 11012.6179 11831.7636 7879.4021 7446.5707 8396.5843 13186.7427 6387.3061 4591.1215 7691.9905 PC 34:4 19187.3862 14523.3531 18207.6376 4936.5309 16179.1204 10932.4649 16362.6520 9331.2526 12579.5036 11426.1511 7870.9738 6545.2130 3524.3533 14395.5937 5937.6040 8304.6498 12162.4614 10186.3537 7982.1314 23353.1404 4427.2283 5840.0304 8308.0049 10573.6441 2772.9456 6198.6179 10258.6259 7547.4112 5657.3416 7020.1531 7379.2648 21367.4887 11384.2626 6084.8271 9609.4815 7822.6830 18002.4668 4453.7060 13241.4798 6985.5543 8419.6493 4913.4989 7584.7152 8621.2168 6495.5193 14326.9088 6748.2192 9395.3300 6199.2492 8948.7457 9629.5324 11296.2550 23795.4551 7143.3929 8980.3676 11529.0030 14987.3406 6954.7693 11931.2506 3235.8365 PC 35:1 12105.4945 9149.8670 11159.9635 11221.1917 10568.5773 11491.9228 13792.7242 9176.3493 9719.7296 6330.4728 6516.7037 8778.9108 8196.8074 11690.0381 8461.6361 9012.3893 9306.3959 9699.6954 8987.1520 8388.1897 6894.7145 12187.6231 9073.6792 14858.7141 10427.3352 8450.9439 12156.9057 6897.1445 9938.2852 11197.4155 8090.7516 12303.0853 9982.5001 4803.0350 11384.6190 10690.9907 14090.5235 11824.7975 12317.5042 6208.0913 8021.6341 8046.8953 8087.6838 10692.4428 13708.1000 7590.0865 8643.7617 9842.9873 9467.9984 12711.2521 11088.7692 12663.5465 10800.6081 5339.9091 13101.8973 11616.0058 10145.0975 10673.8454 12474.5680 7750.0408 PC 35:2 11658.0620 12736.1803 11006.6474 10602.2711 10260.7639 14230.8217 12759.8317 7206.9016 10176.0550 8701.9688 9021.1266 8178.4433 7734.7988 10645.3241 8875.0917 9854.9259 8762.4582 9372.0901 8465.7221 7192.3516 7321.0632 12799.6671 7616.4919 12001.3204 12773.7541 10335.1023 12258.6249 7893.0196 7592.4597 17265.3259 6981.9883 12088.3262 13109.1423 4778.3402 8416.7452 6840.8123 11470.5500 13004.3135 10266.8101 8784.6398 7843.5430 8049.4171 7449.4940 8902.4512 18639.6269 8283.4346 10232.5504 9137.3027 5974.0849 15103.3293 7993.8896 12815.6965 13129.6639 6335.7137 7871.8961 10461.3984 10135.9446 12693.2558 8985.7550 8921.2194 PC 35:3 40904.7276 36638.6413 39632.7855 27948.3596 27603.1542 49087.8717 45282.1429 17448.5941 40154.2047 26169.2459 24363.4827 21932.4829 28607.1119 27511.7140 27117.3348 40866.2660 35810.2095 36050.5133 20757.8553 22701.4588 23740.6724 24119.3535 28478.3032 35084.4891 27824.1469 22788.5894 37808.4970 23984.1086 19902.7336 44271.5517 23141.1372 44059.4918 26748.4836 11798.4490 34705.8977 14215.6141 35056.7702 24140.1669 26253.0794 28649.2359 36754.3728 18772.9152 23691.3413 32002.0352 40638.7461 15162.4211 33963.1509 34122.2137 31948.5996 37455.3179 27976.3323 38170.3134 39974.1255 20528.7963 21724.3527 27477.5073 29955.8982 25629.1960 18319.4671 25276.0094 PC 35:4 13723.0409 14718.4309 11717.9634 9837.6472 11149.8770 10967.7149 12986.8737 13971.9790 11909.0087 10275.6447 8474.5126 8536.1877 5452.6010 14984.6936 7673.8559 6548.8829 8307.6271 15099.2868 10791.4277 10640.6470 5693.8836 11106.2000 7061.1474 10402.0208 5629.0551 7915.8175 10858.8879 7516.5299 5350.2148 10621.1188 7803.8058 11866.8778 17666.0858 5921.3743 7223.8589 9171.6844 15830.8573 8933.6269 12660.1977 8851.1706 7310.9839 7595.8163 6938.0610 10525.0555 9970.0347 12077.5164 7882.7330 8481.9383 3705.0267 11986.7708 9069.8378 10671.0556 19125.6495 6432.5421 8628.3670 11826.6409 13787.2360 10823.4931 10807.7065 6501.2169 PC 36:1 932229.2188 357877.2909 577796.4298 491349.8773 629322.2713 585375.9658 839134.5329 343510.0363 500071.9046 363946.9630 449559.3698 771287.8106 801381.8465 661938.8126 472007.7594 690520.9631 496035.9629 462516.1715 445641.3457 652732.6589 466553.8783 486796.7211 777659.9311 705035.0518 516546.5923 485778.9390 747472.6478 503474.2818 759266.5270 600604.0433 396820.4482 608428.9534 337060.6434 302076.5656 899103.6890 426142.2381 762244.2057 738412.9809 631980.6308 487241.0790 770091.1593 531892.0077 427137.4211 563996.9732 401643.7761 320796.2826 559182.6398 937124.5265 964054.5781 632617.3222 611740.2523 503585.6033 427048.2892 453675.2137 714555.8436 868053.2989 554660.9428 680562.4777 506118.1732 567007.8337 PC 36:2 12218.7648 10920.2835 11184.6544 11338.0333 12597.1670 12504.3971 10910.3029 6831.2152 10239.7025 8769.1691 10201.1285 9472.5493 9518.3892 9850.9015 8149.1124 10638.8859 8746.2228 9074.9597 9038.0144 9431.0886 10330.1359 9900.0691 9676.5899 9587.2331 9471.0220 11273.3991 13689.4623 8257.7421 12435.5999 13221.0165 8259.7557 10728.3009 9154.1328 6699.5497 10857.4811 6773.3538 9294.9243 12179.8305 7514.1559 12739.8878 11621.3381 9127.4835 8990.2237 8975.0793 11493.1348 9290.8762 13668.6568 8325.0325 7740.8060 13571.1166 7793.6743 9578.5336 9470.7756 9119.8833 8038.4793 9858.7729 9763.5286 10653.8296 5970.4488 13269.7421 PC 36:3 12451.0479 11282.5082 11225.7010 11493.9775 12915.2623 12468.7545 13045.6333 7238.4141 10914.8797 8407.0855 8671.6919 8241.6430 9487.9687 12645.7729 7589.1957 11195.6625 12019.4648 9616.6605 7184.4114 13261.2304 7831.2466 7522.6460 8746.3786 13045.4696 7970.4448 9088.0898 13510.7643 7819.9058 11611.9693 12682.7067 8918.2897 13090.4256 8729.4555 7252.4003 12206.4805 6955.6303 10565.2707 8368.8692 7950.1765 12720.3368 12254.8866 7635.3351 7778.6596 13273.1430 10595.6623 7902.8623 14119.0711 8730.4508 10393.6486 10113.2716 9665.5436 10879.7743 9479.2759 7878.6572 8193.2585 8150.2107 8448.9731 8795.9015 5967.7838 11799.7079 PC 36:4 11743.8381 12600.8880 13273.6686 12294.4816 14537.2854 11175.5670 11293.0121 11227.1757 9978.2693 8233.3663 9573.6844 7715.9504 7876.0795 13160.8669 7217.6305 9098.5817 8571.9874 9201.5184 8555.9858 11119.5702 7308.3521 10280.2023 7353.3460 11159.4843 7535.0234 10778.8483 15957.6464 5928.8773 12425.6406 12863.1639 8021.3930 11654.1139 11180.5031 6075.0483 12521.1053 8120.7744 10187.5478 10697.8365 7587.7618 13868.8280 10428.4346 8144.6616 7598.7504 10771.3492 11280.5541 13009.3332 13833.6334 6038.8257 7438.0346 11616.3190 7392.5379 8862.1598 10410.9163 6501.9339 8315.2069 10096.2506 11270.0852 9753.8790 6593.5874 10688.6429 PC 36:5 22595.1428 11665.0968 14899.8155 7059.7540 10308.1461 14480.1972 11402.4536 7914.9769 14572.1245 7339.1530 8100.4565 6784.9549 7477.7653 10857.2245 5851.8485 8990.8271 11065.3029 12144.0960 5649.8215 13045.8482 5014.4646 13632.1907 7457.3194 13747.5355 5585.6058 5525.1105 15206.5443 7428.8229 14486.7120 15264.2697 6443.8274 13290.5780 8213.8637 4380.4302 13063.3702 7546.0232 15836.7956 4535.5391 7916.2535 12042.9420 9718.0303 21898.5036 5896.1527 14257.8134 6173.3683 6994.6111 12498.2129 6990.2859 8510.7767 12051.3235 6114.6541 8259.6739 13724.5095 7264.1046 8466.6081 11790.7933 12751.0826 5008.3164 7456.7664 5351.2081 PC 36:6 5578.0754 3632.6479 4835.1125 2357.1053 5081.4398 5314.1244 3777.1064 2745.0140 4074.2583 4090.5821 2400.5556 3233.9905 1432.3400 6530.2400 2208.3648 3551.3933 5421.4591 2989.9422 3429.1807 8840.5628 1584.2020 3513.2057 2492.2902 4290.7874 1245.4404 1267.2052 3342.4338 3968.5516 2761.6889 5070.0219 2270.4618 5850.3601 2455.8601 1714.1629 1872.9153 2064.4477 4919.2629 1300.7158 3646.9761 2141.2277 1978.2176 5561.6122 2421.1055 4529.3103 1943.5339 2783.4729 2695.8564 3076.3082 1934.7893 5427.3437 2745.9181 4501.5960 5060.2956 2243.5481 2990.3889 4083.0156 4547.5805 1798.6076 4590.6698 878.1325 PC 37:2 13114.1420 9929.9716 13520.0573 16245.9126 14480.2526 11933.5608 10212.4291 5770.2243 12219.5064 6651.3519 8852.3633 8828.0409 8838.6682 12353.5340 6721.6125 12383.0873 8010.7057 9584.7077 7837.0884 10100.3805 6967.6407 10097.7287 8364.0400 14749.4144 9243.0137 10599.4075 14377.0803 7499.7032 13777.5854 15511.7771 4729.2035 11589.6502 9598.5653 6100.5801 11580.8976 6188.2769 10211.6496 11278.6370 7966.6354 12441.6876 8908.6111 9204.5671 7369.1528 14887.1128 11071.7687 9281.6448 13198.7169 8063.5940 5082.8799 13577.0907 5847.6173 10071.6710 9819.0727 7626.7099 7543.3286 9345.3625 9309.8903 11186.0489 7693.7545 10450.6339 PC 37:3 9972.0802 10484.5403 10000.1344 7773.3021 10100.2950 13627.2761 15507.2153 5520.4655 7923.0877 8617.5695 5406.2811 8247.1487 9805.2570 10895.5528 8273.3621 8801.3103 9653.2618 8348.5399 6890.9638 9227.9978 5670.3359 7348.9705 8576.6683 12114.1721 8162.4843 7698.1996 8570.5573 10305.0853 5827.8639 11712.9158 6896.4459 17047.7322 11036.1014 5937.8898 10060.9304 7642.9377 10891.3926 8651.4586 10534.1833 8125.2612 6549.5173 5116.2874 7944.8923 8508.8034 8834.2451 5896.1145 6517.4282 13491.0603 6193.8579 10199.8322 11939.3925 17007.6146 14406.5953 6752.4842 9437.6286 9400.7921 8911.4301 9934.2861 11057.2613 7502.7054 PC 37:4 9099.7052 14920.6587 11338.9920 11192.7665 9599.8574 10417.5082 11546.0860 15814.8861 9651.8228 10127.5519 7205.0688 9137.5343 6442.1936 12375.3070 9052.7529 5477.5252 5952.1829 11402.0980 12928.7872 7584.2238 6660.1378 13490.6266 6383.6933 13110.2267 5872.3820 9757.1551 7108.1608 6947.1180 4994.1452 10356.9542 8217.2898 9688.1248 20877.0637 6297.3673 9111.9501 13421.6114 13595.1459 11552.7294 14444.5231 9542.8924 4742.3420 7902.8386 7388.0574 10507.0647 8782.4564 12737.8340 5457.1954 7407.1167 4002.6754 10948.3175 10095.8712 10803.1634 17739.3443 5825.6021 10681.0755 12629.0529 14089.1622 11943.3823 15900.2701 7720.3717 PC 37:5 40532.9138 21648.8462 21039.4831 9043.9461 9131.8788 23935.3163 20320.3606 11773.6863 22131.2040 15017.9416 8996.3335 15457.0690 10433.1903 15604.6143 11899.9429 10561.1396 10865.2996 27857.2950 12090.5541 11221.8708 6987.3103 44787.3251 12612.9821 26761.2672 10294.0885 10187.5240 9740.4092 19062.5460 15534.8806 24436.8292 11087.7800 17918.4395 19932.5606 7548.9452 16485.7007 16862.6092 44737.2056 9686.4368 24267.9803 10461.5552 13387.5852 73771.5202 9572.2887 18627.9221 7551.1472 11015.4459 6621.2089 15762.7380 6826.1274 23663.0440 11424.4860 14741.0198 33659.5837 14025.8158 17080.0561 22671.9509 20664.3689 11754.4431 31989.8007 8532.9128 PC 37:6 3442.7523 3061.3556 2806.1701 3539.3333 3416.9060 5376.6042 2704.4440 3902.7673 3738.2908 3195.5205 1994.4736 3823.2173 1701.6568 6303.7008 2500.5043 2370.7209 3469.1140 3320.8833 4085.1807 3843.4242 1644.8872 5803.3750 1902.1159 4067.0592 2450.5300 1465.7756 3119.6049 3386.7379 1552.8791 6314.9773 2461.1469 2924.7079 3660.6403 1703.1157 1268.1308 2222.8506 4193.0096 2510.5214 3329.4747 1883.1399 1063.1830 5965.3734 2136.3843 5143.0820 2878.1361 2268.3720 2231.8956 2741.0900 1203.4717 7316.7261 2751.9054 4508.7300 4010.2290 1991.3971 2982.6468 3745.4159 4131.5128 2657.5062 4014.9297 1120.6294 PC 38:1 4192.4609 3259.0179 3199.1503 5865.8110 4296.3859 3488.8237 4085.5579 2145.2820 3292.6552 2460.5221 2517.7084 5139.5177 4374.2715 5423.1526 2673.6965 4033.9038 3714.4484 2507.2095 3322.4819 4495.4490 3076.8439 4132.7879 3227.6155 5404.1016 3495.7688 3996.3489 4680.8000 3938.8791 3997.9024 4134.1913 3038.8107 3770.8617 2127.8210 2997.4836 4526.3007 3052.3813 4774.8148 5543.5270 3690.4538 4106.8956 4391.1977 4233.5546 2278.7449 5462.8541 2759.9400 3134.6780 3732.4425 5305.2148 2211.0814 3569.5599 4379.6982 3238.8662 3196.1622 2737.2611 3872.9891 5076.4122 3674.6161 4212.9131 6318.5258 3484.3612 PC 38:2 41593.6255 19784.3119 29810.2200 25782.3709 35067.2053 35692.6632 43584.4390 16356.2250 28753.0705 21200.1110 19941.1419 30328.2898 43177.8584 40978.9797 16361.1144 30461.6358 41270.4056 22265.7148 22846.3854 42800.8319 20981.0947 19373.7034 44953.7369 32303.8671 25936.1990 23289.3321 44051.8847 31167.1813 30561.2694 31105.0919 18204.8224 33821.5977 18621.3894 22131.2979 34046.8104 22238.9271 29768.3619 30274.1110 26969.8890 34372.1807 34409.1731 21741.7474 30878.6022 33666.7596 24438.5683 18929.2683 32266.0312 36641.9636 22436.2578 32060.6625 21376.1003 27603.7417 26344.4734 26587.6999 27718.6791 27880.2986 24754.0806 26631.2444 20265.2909 35452.3037 PC 38:3 12402.9807 9067.7503 8435.0163 9418.8852 9653.7700 12689.1118 12923.7987 4802.6450 9284.7972 9682.3632 6078.7409 9556.5600 11652.8605 9559.5101 8037.2217 11664.9714 11611.8981 11483.8172 8349.4887 11557.1661 7153.6158 6233.2358 14067.1441 10379.8497 5003.1073 9348.9674 12973.2258 12141.3083 12796.7396 8153.7312 11660.2763 17529.5039 7626.9876 12778.9588 11461.8715 9942.0430 8568.7375 7253.0466 6709.2306 12402.7390 14995.0719 5772.3161 12113.8364 9236.7381 5513.8246 6255.5810 8791.2035 12702.1290 10343.1505 9134.7514 13349.3091 14159.6948 10269.6248 14028.4224 9577.7445 8691.0324 6893.6411 7742.9756 6616.9691 11714.3104 PC 38:4 11829.6058 10363.7393 10735.1891 12389.9011 11879.8555 11033.6643 14298.8120 11121.9729 11148.4107 9949.2205 7187.2182 10581.3529 9912.4752 11935.0317 7842.8157 9099.4302 12921.4530 12756.8569 10518.9497 12787.6464 8525.7757 7222.4667 10712.4217 12355.0773 5324.2900 8986.9181 8442.0261 8825.0378 7710.9993 8617.7288 10111.3441 11567.1357 10657.1125 7961.3398 12184.7378 10708.9794 11455.3674 9562.5906 8989.2708 12234.4635 10270.2211 6153.0884 8563.8915 12674.5639 5312.4227 8137.1145 7298.7354 9988.5990 9345.7938 8317.5045 11614.1656 10560.6148 11683.0140 9567.4800 9703.7304 9380.2911 10201.8375 9063.3324 7791.3081 11923.6067 PC 38:5 15041.6777 10921.1847 12459.4707 12449.8796 12185.9938 11452.6438 11620.5175 10955.2922 12983.1986 8629.4715 6769.4412 10381.6244 8328.6043 11168.4439 6945.7213 7558.9870 13135.0804 13447.7595 9119.8632 11203.5112 8104.4874 12158.9719 9196.2928 12570.2657 5393.4067 7192.7637 7123.3094 8602.8886 11271.3938 9776.9665 9097.1963 9717.1256 10536.8810 6814.9802 12492.5465 10808.0581 14080.0476 7866.5472 8910.8395 10485.6084 9259.9622 18034.8805 7851.0269 13134.1818 5540.5050 7899.4954 6688.7639 7870.6634 7706.4548 10934.5435 9492.3639 8486.6302 12625.2618 8716.4169 10865.7226 9481.3908 10015.9340 7601.2956 8826.8713 10008.6922 PC 38:6 15755.8420 12244.8172 12498.3892 11437.8018 12235.9969 15986.3348 9079.1614 11474.9361 12777.3518 9203.1787 7408.5796 12007.8414 7887.9538 14556.8530 7415.7264 7792.2445 7422.0969 13596.7638 11638.4895 12876.8792 5911.5545 16495.8638 5225.4550 11782.3181 6521.2498 5925.5317 7174.9993 8452.9620 10425.2840 16256.7735 7778.7266 8747.1951 11128.3888 6268.6624 7752.8046 9308.7139 10789.5996 7675.0855 9497.5591 8784.5233 5722.0289 30818.5205 6362.8659 12861.0665 6240.4716 7255.2989 7363.5450 5897.9201 5809.4197 15188.8495 7192.4000 10357.3121 11859.5699 6943.6205 9722.9325 8090.3262 9272.8738 6881.6031 10599.3272 8359.5599 PC 38:7 5548.5387 4326.8766 5413.4242 4922.4788 5439.3805 6418.6769 4672.3482 3822.7279 6474.7719 3930.5190 2151.8752 3987.4170 2984.4552 8143.5934 2912.8979 4068.5234 4855.8988 4435.4928 4261.0361 9474.5474 3002.3183 3544.1176 3021.8520 7487.7924 1727.3211 1654.7532 3139.1024 4502.6567 3906.5566 7191.6138 3665.0805 4331.8163 3173.9997 2156.0524 3125.0747 2577.1728 5176.8622 2003.0225 2819.1841 2855.4704 2784.8036 6521.5346 2899.8662 12374.7057 1891.1377 1943.3351 3251.3884 3712.5276 4393.1186 7267.6937 3959.0915 5180.3515 5056.7600 2347.4529 4328.8057 3173.4367 4538.8314 2049.5045 2993.7217 1872.6145 PC 39:4 2495.8434 3267.4547 3034.1956 4829.3707 2534.1321 2277.1631 2369.1353 2649.1921 3020.2257 2202.8420 1715.6066 3061.0065 2234.6205 3543.8618 1800.5461 1832.6747 1583.0523 3378.2464 2750.4578 2313.4424 1923.8260 2178.6176 1922.8517 4407.0905 1301.3106 2899.8950 1999.8896 2176.5653 1593.9847 2563.1986 1976.0215 2427.9703 3538.4876 1768.4785 2656.5797 2780.3870 3120.8831 3110.9286 2537.1512 3130.0637 1626.7281 2389.9099 1628.3714 5019.9458 1365.9571 2802.7547 1739.8530 2202.7094 856.4310 2709.8582 2196.5848 2258.4416 3695.5626 2313.7004 2166.8222 2842.8219 3561.8501 3021.5376 2944.1547 2614.8018 PC 39:6 6301.7223 7541.3000 8078.8976 9989.5202 10098.0990 10589.1990 6358.6582 8284.6439 7060.5391 7830.8915 4407.2475 10283.7654 6033.4046 12114.9249 6268.9067 6067.8049 5634.0822 5446.8487 10154.1686 7981.5051 3868.9449 13958.7432 3757.9748 12432.0082 5908.2761 4216.9826 5371.5696 8068.5932 4157.7576 19299.1569 5270.0138 6575.6348 10426.3231 3200.9369 4958.5938 8815.3273 9266.3506 9279.8382 9961.5365 4420.5022 1852.3398 13339.9524 4423.9048 9862.3465 7064.9591 5376.8818 4207.3918 6370.7488 3751.9125 18638.8558 6902.5899 11512.3451 10612.9204 3734.6142 8668.2567 11285.1415 10562.0910 8669.0269 14439.8935 3328.8203 PC 40:4 11162.7835 7833.1273 10627.8266 14466.0374 11118.3934 9250.2980 13852.7907 9628.1169 9069.5129 7190.0724 6125.5491 8882.3144 9277.0626 8249.5402 6925.5204 9984.1342 17339.1426 12414.0350 9856.7582 10391.0992 11737.6215 5740.3513 15822.6663 6960.6811 6166.6312 9999.8539 10711.5673 7653.3541 12606.3629 6167.7751 10861.7772 10382.7733 7858.3459 11066.2800 15170.2530 10316.3622 7720.3921 11998.0712 6416.7699 15854.2353 16464.2707 3846.7176 13189.7956 7253.9523 5437.4344 7845.4305 7623.4482 10096.2644 11320.5631 6485.7594 12019.0728 10619.9692 9985.0800 13369.2245 10909.0298 8222.6761 7841.3623 9426.4818 6409.7149 16777.5126 PC 40:5 11210.7061 8179.9748 9924.2079 14274.5108 13746.6498 10095.7795 12589.7393 10259.1608 10729.1750 8620.1365 6536.8837 10375.5559 10910.0707 9117.5005 7166.1099 9442.9683 17255.3299 10595.3557 10764.2327 9357.5526 12015.1835 8050.0951 12803.0965 8358.8792 6057.5878 8527.1929 9660.8504 9464.6004 12362.3438 8341.1242 10445.6365 11096.2306 8917.7204 9507.9085 12049.0778 9638.9114 8170.4992 10666.3601 5736.9961 14112.6022 12176.1491 7427.0166 12016.4227 10069.8583 5407.6174 7963.7974 7830.2169 10270.9176 8757.3283 9022.4086 12312.9413 10575.0667 9550.1049 11792.1364 11035.0755 9553.6451 8131.2948 9100.2230 6143.7678 13729.5143 PC 40:6 11697.1716 10094.9192 9983.3970 13075.2302 12912.1180 14155.2941 8587.0754 11810.6555 12429.7768 9903.5966 7964.2232 11623.1575 8987.1351 13078.4723 7046.7115 8325.5933 13334.9228 12129.2944 13836.6787 12137.0347 9739.9527 12258.9621 7912.7618 10725.8536 5878.4966 7051.6776 8732.0649 8779.0884 11053.2031 12369.5706 8368.4425 9274.9605 10763.6534 8587.2982 8105.6980 11145.1879 8015.7031 8754.8060 6987.4635 13405.4115 6535.9966 15268.6982 9237.7549 14187.4289 5580.0810 9338.8888 8570.4390 6593.0622 6161.2819 13751.7365 7698.3199 11901.9862 9521.2501 8787.5693 9813.2885 8700.5064 9309.4984 7285.4956 8195.0653 12538.9386 PC 40:7 12750.8860 9395.9913 13321.6687 12724.9183 11573.3787 10874.2111 16136.8708 7410.8117 12003.6441 7752.1604 6237.6156 9558.1101 11709.8521 14216.7474 7124.5345 9281.9161 11941.4038 10990.5907 8507.7700 14765.3414 5892.8986 7944.3981 8940.8345 17193.1827 5865.7156 6744.2471 10243.7676 9318.3016 7393.9800 12244.6391 9547.2347 13611.5592 8577.5130 6125.6618 12378.8066 7926.3178 13291.1423 8358.6565 8990.2061 8903.4242 9188.2197 10329.4166 6881.7282 21873.7318 4372.3353 5407.4727 9101.5169 10764.3744 8801.7956 11343.8326 11549.6290 10056.4312 11285.2633 6131.5240 9588.7874 11579.0245 10460.7862 7967.1739 8371.7848 7174.2621 PC 40:8 8200.7524 7859.4881 10020.5111 8398.1066 9411.8631 6440.9910 8680.5898 9833.5758 6724.5716 5165.0866 5556.4955 6428.7893 7164.5351 9783.5406 4792.5242 5149.6645 5084.8776 7580.7566 6641.9999 7777.0494 3417.5325 7761.5773 4233.3044 9442.7508 4021.8801 5592.5861 7896.4998 5091.4522 6522.0922 9967.1595 5819.6357 7633.3270 8513.2543 4783.4536 8433.9750 6752.9638 8439.7860 8874.2387 7975.8653 6260.1274 4231.4297 7829.8000 4213.2891 11931.7974 2976.8360 8472.9961 6350.1581 6754.6190 4004.3734 8566.5079 6024.7044 6129.1823 9218.1350 3876.2423 7414.0354 10323.5645 8065.6851 6626.4490 8576.3677 4015.8947 PC 42:10 1750.4784 1263.1105 2022.1502 1871.9631 2463.8615 1748.3168 1486.9152 1716.9020 1363.0183 1067.3268 1175.8410 1664.9713 1583.2992 2166.8971 1061.3745 1219.6194 1482.3361 1243.4559 1406.8434 2409.6569 798.4889 2280.7613 852.5626 2191.1159 910.2190 871.0237 1850.8727 1195.6273 1642.7025 2325.4826 1279.6468 1506.2671 1402.7857 845.1136 1232.9937 1412.0781 1632.2644 1843.1803 1406.7317 1119.3804 738.8057 2176.1540 884.3909 2578.2228 682.3693 1225.7748 1380.8938 1180.4811 1120.0628 2416.7533 1325.4350 1428.8516 1655.5343 771.6747 1666.4886 2444.6871 1766.3432 1295.2745 1980.7749 754.4346 PC 42:5 1546.3283 732.7969 1165.3562 1433.3749 2579.1491 1669.1014 1324.1440 778.9752 1424.8154 1184.3236 852.4128 1226.4297 851.8915 2127.4990 871.8434 1437.4344 3734.2473 692.7700 1190.4819 1639.0821 1700.2491 1049.6609 2298.4897 1112.4264 1139.9077 815.3856 1530.5561 939.6292 1129.6434 1415.9605 946.8826 1145.5185 699.4227 740.1649 1039.2071 649.2433 705.3886 823.1873 701.3636 1426.9849 1182.2828 1022.2679 2081.7802 1762.0878 965.0651 892.4742 1532.2916 1181.5504 1161.0225 1284.6493 1151.0553 993.6736 790.2016 1064.8581 1020.9904 909.5788 852.5498 865.0556 744.1410 1866.4909 PC 42:6 3136.9615 779.8020 1368.1534 1476.2536 1902.7950 1399.0997 1866.9860 660.6071 1429.1673 1233.8499 518.2038 1042.6342 963.8706 1852.6971 1139.8012 1407.8635 3790.2008 993.7057 1177.6385 1936.3161 656.8902 623.6142 1601.4460 1371.6670 395.7474 821.1413 1112.7519 830.8300 1370.1874 1085.2252 913.2323 1728.1935 723.0651 887.4614 1438.4926 1068.1771 812.9222 642.3658 761.4314 1107.3763 1353.6702 814.4496 1295.8716 1791.6787 531.2732 1159.6656 642.2194 901.4000 1282.4123 1140.8209 1135.3387 1083.3590 1033.2726 1221.0461 1165.1871 1007.3663 795.1947 687.2728 848.3588 1054.4938 PC 42:8 7612.6264 7972.7824 13702.8816 9952.7670 7800.0321 5724.7055 13901.4771 7164.0920 6683.6636 4560.7227 4098.1939 5488.8643 6098.6076 5994.4254 5140.2159 5893.2645 5980.1328 9370.4859 4489.2530 6326.9600 7106.5513 5022.5133 8583.0486 5964.3099 4323.7345 6287.1028 7271.1862 4317.6399 5019.4533 3857.0126 7843.3284 7972.3552 7210.9491 5657.1059 12768.6187 6403.8523 8055.3934 10742.3943 6218.4518 9157.6120 8759.1563 2984.6659 6601.2422 6300.9436 2817.2103 3939.0067 5152.4067 9445.4530 7445.7366 3834.3349 9459.9085 5856.0495 9972.0969 6005.9585 7717.9131 7809.0292 8191.0887 7672.3658 5121.2913 7560.2677 PC O-32:0 17964.3389 15119.9630 17159.1671 28896.5922 29666.2539 18172.6766 19676.6004 20266.8836 15007.9974 12165.5160 11449.3563 18286.3039 16773.4743 15425.3528 17383.2756 16486.1388 16271.2639 16578.8236 14443.8553 17549.6898 25266.3185 22686.6537 18951.7732 14920.5406 18904.3106 17427.1891 21179.8888 13885.5672 25354.5572 23297.1078 17556.1190 19272.6633 14996.2128 10018.0026 22840.1967 12182.4301 34469.3476 24465.8454 10801.9142 24363.7795 29231.7235 17631.8941 13353.6206 13758.7942 19012.5140 14132.2193 18298.3694 23755.5791 18609.1284 19207.6318 22696.2964 15411.6220 17617.7837 17138.9870 20039.4766 19422.4572 33448.7278 18662.5739 9262.0450 24651.3963 PC O-34:0 2431.5578 2336.9955 2226.8881 4073.4798 2885.4849 2499.1893 2560.3915 3101.2458 1732.9306 1721.2170 1793.2294 3298.1838 1925.6150 1888.1554 2321.4300 2490.4470 2220.9216 2374.8331 1816.8434 1507.6463 2635.0134 4193.2677 2674.9252 2013.5539 3945.0585 2736.8179 2856.3882 1554.0246 3005.2778 3012.3221 2293.8301 3309.0657 1952.4728 1628.5468 2932.3529 2171.7865 3208.3545 4993.0705 2151.5729 3032.5305 3663.0432 3223.1621 2198.7889 1585.4972 3224.1948 2362.0267 2570.0986 3811.4357 1713.6067 2651.0193 2946.4921 2403.1613 2097.4815 1786.2349 2712.6408 3282.0895 4569.9392 3536.4150 2272.4578 2859.7481 PC O-37:5 5339.1763 8594.6956 8287.5167 6036.1008 7406.9562 9241.4219 9295.8651 6955.5385 4619.9878 4064.7423 3940.7922 8682.9874 5150.3291 5439.8968 5138.2552 6286.3411 5391.3303 6212.8669 6065.0361 4338.2414 7768.7648 15939.7934 5234.2081 7054.5410 7060.5994 8174.0011 6230.8537 4139.6049 5862.8798 7845.5677 7467.5666 9599.5013 11325.7215 3215.6665 9472.1174 6125.6051 11223.6234 14667.5191 5251.6456 5227.7766 5007.0304 12252.3702 4034.8508 4516.9012 6009.7237 5987.0147 4576.1185 8852.5393 4070.6537 7041.0550 7247.6071 8485.4626 9134.1650 5963.6024 11354.7679 9562.9952 14527.3712 9249.3222 6171.0956 6423.7169 PC O-38:7 9745.4746 10430.0986 10115.6375 10615.1390 12772.1776 12839.4609 9747.0635 12129.2855 6880.4345 8115.8769 5454.1589 11352.6441 10320.0317 12632.2141 9008.6778 8320.8199 7518.9673 7884.4341 9244.3431 12927.7537 7292.8645 19069.5378 7428.8838 10506.5427 7475.0457 10400.7137 8306.6028 7992.3862 10348.2384 13910.5518 11900.5600 8474.7687 9203.2384 4692.2889 9987.0876 7508.7757 17370.7017 16785.7155 7547.1965 10122.9195 6669.6185 16840.3224 5311.2601 9104.2159 7111.3014 8719.7712 6915.4445 9346.8131 6227.3984 12121.9278 10808.7196 8395.6509 10014.5368 8400.1463 10581.7786 10469.6855 17858.6151 13189.8167 7420.2339 10113.4306 PC O-38:8 10618.4107 20129.0157 18479.7748 16086.8764 20602.4497 18826.4824 21425.5773 16627.9082 12274.9978 10440.7102 8874.1495 16499.7032 15391.4540 19721.7188 11903.8643 12674.3773 2.1951 16677.6646 13110.1204 4879.4477 13690.3586 19909.9578 14568.5327 19926.0153 12278.2574 16358.5543 13802.8589 9104.2217 13341.0583 15886.5698 18635.7334 18861.8632 19616.3427 6580.4708 20109.0837 11581.1245 30501.0352 23395.9017 13836.7704 15552.7853 14993.0109 16657.1275 9243.6892 13506.7947 12955.2682 9598.2298 11955.5370 16583.4076 14287.5031 12247.2079 18937.7789 15256.7109 19398.8310 15739.2512 18891.7092 14827.9976 32846.0130 19211.3147 12595.1102 16511.8305 PC O-39:2|PC O-19:0_20:2 6661.3739 7434.0320 7050.3567 8307.4487 9031.9629 6925.2090 6252.0430 9176.3507 5974.3023 7311.2246 3797.7651 5121.2733 5485.5576 8925.6463 4510.1882 5205.2001 5905.2413 6181.9791 7130.0481 6734.1533 10763.6306 7616.4257 8161.9512 8822.1714 6452.2347 6817.5831 11887.9229 4888.3992 8222.6470 7795.7694 7627.4056 7450.1196 10169.2114 4171.2525 9462.5345 6867.5975 7602.7891 8940.1736 3272.8393 11288.3361 8187.8649 7054.9348 7063.4266 9750.6649 6900.4593 5441.6137 8452.6331 4544.9593 5366.4711 7286.2170 6452.7952 8094.1081 7334.5560 3899.4058 9502.4688 6761.3061 10733.1843 7390.6840 4098.8124 10475.1288 PC O-40:6|PC O-18:0_22:6 5915.1402 7006.1654 5446.4151 7715.7221 7501.3822 5451.3567 3115.4414 8020.8520 5344.1457 3498.4203 3819.3270 3312.3739 2283.5228 4635.1900 4553.3228 4036.0676 4016.5971 5629.5281 5250.9638 2955.1585 6200.5326 7081.5153 5047.5854 6015.8029 3315.7425 4789.6711 7612.3930 950.1019 2513.5327 4215.9356 5160.6503 4442.3073 6203.1894 4498.0666 4717.9577 3449.4306 5813.2367 4219.8338 2229.3751 9595.7609 8670.0736 5591.3005 6100.0548 6570.1249 4412.2485 6780.3251 5599.2742 1441.9192 2240.8703 3593.5313 3596.1124 3789.2085 4366.4385 4215.7527 3723.9535 5825.3402 6639.5841 4102.8571 2342.3601 8143.2400 PC O-44:5 8860.8947 7860.5753 9537.3375 19763.3661 19320.5177 6794.5960 8346.4602 11866.8562 6476.7767 6157.5465 3632.1042 7761.4231 4576.5803 12920.4800 6924.6313 5686.8531 8275.8199 7573.6374 10206.4341 9058.4381 11103.8320 10268.2316 8748.7743 17411.7534 7810.0874 7731.8795 16110.1372 5451.5707 11157.8304 10546.6129 8358.6481 10707.0904 7880.9797 4858.8290 14192.0912 9421.1675 19387.3156 12470.9525 3908.9191 17162.0466 12319.2862 6331.6206 7924.6519 17701.4886 8117.8098 9793.9434 11794.6707 4967.4008 6768.2853 7757.9003 8698.2629 10973.1540 7893.4373 5404.2439 15122.5472 12864.4973 21163.1092 8945.1890 4662.3420 14506.0818 PC P-32:0 8565.9424 9585.8160 10954.7883 15561.9901 13346.6583 7436.8620 11332.5497 10759.0501 7323.0007 5144.4317 6003.7241 9834.4869 6984.4865 9795.9482 5390.0013 7823.0567 6807.8778 7720.9548 8760.3467 8841.1521 13134.7394 19667.9568 7201.1298 10902.3295 9748.1501 8960.9562 12489.3002 7119.1238 13605.6067 11842.4893 8402.1858 9345.1077 8844.1298 4875.9632 13305.7713 6724.9498 19443.2324 14729.2473 5616.1620 13385.4403 13251.3195 14176.2845 6691.9066 8877.4886 12448.1150 6657.7008 10480.8795 8120.9965 8807.1238 10969.9628 8813.9467 8393.0825 8379.6764 6554.1124 12736.6055 9140.4001 20468.4720 11049.9548 4893.7217 11771.1542 PC P-32:1 or PC O-32:2 5651.9169 6144.4059 5629.8059 5484.8028 4401.7918 6304.8745 4888.8340 6979.2122 4446.7818 4191.7879 3880.4190 4990.1838 5516.0329 4978.9386 3832.4509 5497.3029 3625.7837 4736.4285 4205.7108 3646.6999 5903.4947 6832.8760 4205.3907 4278.3580 7954.5230 5594.5047 6111.0831 3476.3372 5798.9377 6493.4992 4444.6463 5276.1843 5044.7090 3072.9731 7162.6499 3351.4709 4652.8363 7043.0466 4411.8400 8101.2530 6733.4925 7035.1426 4419.0295 3950.8568 7507.2806 5035.3176 5237.8732 4185.6825 2584.9321 6212.9519 4360.9879 4151.0076 5181.3891 3555.9245 4819.4617 5371.3269 6490.8497 5796.0264 3779.8040 6514.3470 PC P-34:0 or PC O-34:1 18932.9659 23667.6535 21205.4081 41409.8323 33953.8561 24736.3957 20884.3629 34114.8310 20425.2552 14874.3872 14699.4498 17313.2687 19492.1563 26354.3940 16398.3671 20383.0067 19739.5171 19813.2209 17993.5661 21024.5782 27558.5140 33906.3329 19561.8859 33483.7671 23606.7211 24128.6997 31048.4246 14163.0923 38989.4445 28908.3330 24455.3691 19182.9484 22638.6367 13880.8531 29259.6432 19682.5968 36182.6635 31112.2835 12111.9652 32541.5586 30271.6675 23734.8233 17230.5096 34200.3496 27805.3296 23230.4983 26306.5769 16188.3100 19181.8200 25434.7487 23337.6841 19052.0343 20611.5341 13287.8936 23320.1945 22558.6416 40778.5176 23271.0729 12574.7750 31812.4015 PC P-34:1 9706.2413 10697.1840 11111.1381 12606.2845 15475.2314 11469.2393 15245.8956 10727.8330 7470.7424 6419.8489 7418.4410 7769.9391 7437.4432 11676.4829 6465.3088 8194.9638 8784.2539 8443.2596 6441.7675 12284.2743 7992.1719 13513.4559 7405.7934 10577.9124 10725.1801 14669.8422 11718.9972 4577.5604 11097.4410 13391.2352 8424.8603 10974.1106 8568.2687 3629.9220 12464.4141 6178.1107 16675.0316 14347.6419 4700.6319 16106.7068 10446.1920 8988.7254 5930.3981 9242.0810 17461.2103 10659.2304 12657.2332 6650.0799 6592.6831 12684.4833 5968.0511 8905.1279 9537.4912 6082.6970 8550.1959 9929.3880 14236.0054 12039.7113 3531.7921 16322.1622 PC P-34:2 13321.3604 12334.0372 12215.0979 14731.5889 15909.5343 12172.5952 16170.9459 7767.4715 8281.5307 5548.8246 6335.9700 8810.3947 7307.7596 13513.6705 5391.3913 9912.1513 10781.5829 8572.4294 6069.0307 11042.1836 7349.2325 14688.9395 6912.3357 13707.6959 10645.0355 10625.8030 14475.3347 5010.0272 13813.1913 14241.2639 7124.6630 11171.1699 9775.8160 2720.1085 10846.8845 5903.1844 13818.8532 15412.1547 4292.2571 10612.9596 8265.5801 10560.2649 5334.9772 8986.6108 16788.2995 9656.6829 11977.4986 8711.8587 9120.2937 14192.4007 5586.1074 8730.3573 9610.9670 6320.7831 8010.8277 8050.2210 14573.7210 11169.2272 3692.9647 11323.8959 PC P-36:1 11620.5458 10042.1648 10118.8563 16345.7434 14240.1759 10960.1189 14912.9013 10891.5631 8154.9177 6055.3211 6815.8870 9914.4075 6716.1131 11692.7264 7854.3882 9893.0963 9713.4944 10431.7756 6553.4290 7524.6452 8236.2935 14334.1067 7856.6236 11774.6908 13410.8506 10997.3312 10686.2794 4480.5115 11014.1036 13195.5161 7265.8869 10632.7366 8060.2880 3595.3252 13288.1365 6318.6019 14020.6269 17923.6319 5736.0919 11918.0786 11091.5067 10421.4828 6025.8450 9573.2308 17213.0416 9482.7100 10265.4871 7133.9130 6576.4909 11953.6001 6518.3313 8102.7398 8870.8709 5429.5504 9038.2279 10453.0419 15197.7730 13311.3806 5084.0266 13058.7672 PC P-36:2 11750.8510 11927.5343 10564.0574 15956.1972 13863.9976 13164.2659 13349.5091 9898.3963 9006.7499 6462.2685 7571.9652 8572.6759 7262.2336 13014.3038 7031.3827 9535.7762 10277.1712 10478.1411 6897.1127 7767.9656 8557.5008 14688.7431 7406.9660 13496.1523 10707.2886 13659.1805 13242.0284 4893.8330 11222.8629 12684.4058 8184.9154 11223.8386 9232.4879 4060.2591 9601.5859 5639.8732 11991.7398 15221.9470 4302.1909 14611.7133 9468.4484 9727.5567 6433.0325 10968.6912 15741.0772 11716.7914 11875.2613 7517.1782 6916.7491 12347.4492 5509.0884 9375.6404 9224.8334 6596.4785 7592.5800 8271.4869 11550.1843 11521.0184 3521.3633 15143.0235 PC P-36:3 8615.8850 10576.4909 10753.0388 11574.9936 13002.4375 10336.7772 9924.1118 15115.2744 7413.5972 9503.8668 6411.8722 8580.5283 8377.7630 9015.8670 9911.2545 6455.7644 6515.5833 8825.9647 10195.9150 11473.5260 9925.2071 13500.7642 8853.6928 6453.4787 7206.3177 13008.1422 10173.1709 5316.9216 10313.7784 9481.9900 14684.6466 9266.5968 10846.9240 6547.5692 13127.6979 10030.3134 15132.3481 16432.4417 7253.9627 13838.0226 10418.8416 8297.5308 7594.5380 5932.4737 7950.9684 12370.5240 8310.0290 7190.1097 6519.9612 8527.2752 11977.2422 8755.1271 11874.3775 8945.0388 10819.8063 11013.4566 14653.2299 14397.2210 6867.9008 13609.8498 PC P-36:4 8299.5083 12503.4117 11516.6979 11587.8148 11906.4457 10323.5881 11420.5623 13721.8975 6920.3747 5553.3808 5532.0673 9278.9087 7846.9364 10614.7635 7040.8482 7394.2716 6626.4979 8662.8454 9375.6391 8548.7653 11222.4991 17657.6539 7660.4543 11219.3890 7561.2746 10335.1285 9838.3873 5708.7385 10457.6885 8588.6366 12408.2902 9683.4412 13747.8727 5271.6049 12924.1676 8440.0960 16849.4939 16351.9877 6800.5805 12680.3700 8990.9006 11569.1338 6310.9673 9153.1948 9345.9120 10170.3593 7910.5269 8306.0292 7216.6433 8549.3740 10305.7821 8830.9091 11651.5500 8559.4504 13091.9693 10030.2380 19987.4707 11679.6715 6941.6857 11315.2518 PC P-36:5 or PC O-36:6 21288.9448 20143.4788 16816.6436 6853.2470 10352.8298 30351.7617 13649.9955 8601.4196 10694.3840 5162.9333 5468.0918 12984.6137 11437.4584 9771.7211 9285.7200 11238.3854 6630.0537 10525.6909 7944.1204 9581.9296 7442.9813 91962.9312 10761.1108 17971.0570 8292.0722 8838.7802 9502.2607 11581.0029 27049.0223 16746.2937 12125.3315 17042.0660 14504.6467 5652.5029 16377.0950 8421.4044 27273.4209 10800.3371 8091.4244 8576.9147 12949.9178 146282.2764 6734.8271 9119.7114 8049.5205 10073.3897 6199.9813 16946.9616 6491.0022 21811.7979 6538.8624 9485.2510 19497.8272 12791.5334 23973.4348 12063.5609 17421.3744 9127.7218 13317.0096 10724.9740 PC P-38:2 or PC O-38:3 6443.3242 5307.9567 4475.1232 7655.6919 6875.5351 5671.1515 7345.0518 4292.8186 3792.2545 3160.3497 2640.6111 4513.8020 3256.6069 4818.3913 5848.0168 5159.7619 6429.4821 4865.2749 3096.2409 4032.4169 3954.1171 5252.3366 5381.7517 3125.9802 5439.5870 4560.4039 8545.4891 2904.9961 5716.7264 5687.3319 4608.2242 9574.9477 3095.1915 3328.9007 5618.7459 2938.7898 4586.2296 7254.8375 2693.8997 5961.5259 9285.9064 3475.5128 4233.7657 2554.3592 6431.3305 3171.8644 6140.1548 4390.9835 4799.7372 5340.1749 4866.1650 6159.7569 3768.9258 4069.4919 4443.0017 4578.9378 5267.9219 5449.6963 2567.9536 6405.3459 PC P-38:3 8987.9738 10545.7423 10229.3288 15728.2837 14244.8152 10759.6966 10615.2071 15565.5591 7639.6891 7737.1018 7176.3999 10479.7068 7318.9906 9164.3692 10900.6569 7934.0686 8556.8612 10747.3255 9095.3760 7093.2851 10618.4391 13197.8927 9098.3784 6308.1740 8942.1710 11087.1043 11398.9910 4996.3752 10090.7143 9755.7800 12210.9886 9174.3046 9502.7145 6678.3514 12786.9337 8876.9581 11770.3417 16869.6714 7586.7693 14109.4071 11954.1213 7690.4958 8257.3012 6012.8665 9659.6856 11210.4611 9432.5740 6412.6865 6924.7642 8493.0036 11662.7591 9124.6214 9339.6545 9107.0160 10417.3983 10972.4827 14567.1312 13135.4925 7745.3414 12299.2452 PC P-38:4 8346.3693 11657.4476 10074.0909 13541.2390 12611.5328 11065.2680 9791.4654 15741.7257 7815.3992 7454.0702 6374.9521 9406.0635 8477.9940 11193.6476 8521.4953 7619.1161 6522.3726 10396.1890 9606.6128 7563.9705 10344.9556 17326.2139 8318.1181 11092.7398 7309.2452 11669.4782 9662.0659 5616.6584 9706.2346 8986.5889 12799.2573 8403.0155 12057.1384 5915.0514 10172.1983 8671.8915 14566.0865 17236.0307 7101.3102 13548.1241 8371.8751 10650.6110 6697.6908 11076.2969 8292.7551 12254.9517 7890.8076 7621.6809 6198.1459 8189.1651 10994.5761 8233.5179 10718.0053 8007.7462 10455.0104 10007.5411 16661.0056 13325.0841 7799.4239 12270.6849 PC P-38:5 11096.8042 11238.6150 10494.7040 12067.1425 13124.5227 13839.2819 10478.2997 11952.0879 8669.5566 9303.7528 5996.6434 12805.5320 10743.3796 13208.9463 9017.7201 10018.2126 8114.5403 8462.6236 9342.0868 12985.1859 7639.4621 16045.9633 7575.3162 11236.2792 7877.0608 8384.0780 7493.5993 10566.5912 8939.7982 16129.6366 10612.2841 8510.9724 8503.5421 4393.0162 9734.6037 6450.0023 15536.7344 13807.5255 7002.0551 9570.8533 6857.4521 16583.8798 5664.7867 11252.3323 6380.5592 6823.5061 6936.1496 11438.0557 5795.1460 13083.8025 9983.7786 8755.1122 9443.6596 8083.7877 10402.8653 10034.0380 15419.9600 11622.7442 6708.4774 9760.8951 PC P-40:3 or PC O-40:4 6729.1343 6358.9418 5846.1876 14515.0644 10809.5884 5347.5957 6502.7107 8513.4890 5194.4400 4247.7741 3736.6732 6617.3148 3720.1152 6324.3848 6746.6559 4567.6226 5944.8391 6613.5262 5824.9638 5500.5465 8608.7751 8694.3106 6555.7201 4981.5038 6085.9744 5796.9122 8524.5989 3230.8118 5313.2824 7516.7115 6659.9589 6835.3360 5154.0554 4528.4465 9459.3402 5237.7154 11551.0393 11291.8518 4561.7235 11818.0161 9446.6426 5692.2408 6596.3668 5301.5362 7213.6181 6984.1618 7077.8440 4352.4896 3745.2100 6210.7727 6561.3147 6776.3441 5395.2916 5674.3899 8569.5448 8006.9324 13463.8712 7632.3455 4129.9506 9908.0781 PC P-40:4 10474.8928 10889.4860 9508.7884 20056.6807 17833.3779 11223.9879 9204.8100 14142.6445 9914.9749 6319.6404 6213.7868 9330.6759 5628.4458 10241.5670 10684.7697 7467.0425 8124.8570 9745.2272 10779.1249 7824.6163 12020.9495 15060.1817 9287.4600 9622.3241 8353.7096 8307.4413 12795.0563 4912.1925 8659.4489 11027.8441 8886.4684 8676.6382 7928.9617 6233.0688 12442.1242 7900.1280 13704.2204 11801.1375 5547.6285 16056.2235 12935.6128 11780.8056 9173.0137 11314.3389 9534.0846 10301.8569 9816.0855 4894.2359 5730.7395 9570.7510 9046.8070 9691.9299 7501.5626 7322.4617 12840.5242 9514.7144 16115.6455 9385.6043 5893.1695 12803.4530 PC P-40:5 or PC O-40:6 7078.3613 6895.2817 5966.5075 10557.9697 11016.0082 9917.5419 6026.6049 8346.6462 5529.5371 5952.4824 4645.8656 11589.2542 6698.1918 8338.6142 8748.4971 7560.0537 6862.4757 5358.5977 6804.0240 6217.0006 4886.7522 12487.0675 4825.8713 5811.6065 7369.4376 5190.6490 6237.8171 7048.6737 6590.6015 16750.0521 7447.0025 4739.7833 4192.5955 3525.9098 5410.0527 4829.2028 8506.3927 11421.7236 5229.3347 6975.8706 4256.6053 11942.6221 4348.8242 5990.7168 5762.3649 4741.9580 5823.9289 6833.7454 4042.3543 12532.6856 6708.0032 5804.0727 4248.8805 5993.3840 6213.0410 7548.2626 10303.5069 8599.7609 5823.4909 6015.8813 PC P-40:6 9202.0585 10413.1058 8029.3337 13446.6572 14328.1837 15184.9080 7381.4859 11065.6360 8213.4491 9274.5725 5261.8120 12316.7211 12329.1143 16292.3922 8977.6520 10220.4454 8386.0994 7018.7808 9714.4833 11481.9707 6083.0877 18995.2716 6858.1317 14416.1341 8425.5167 8482.4059 7771.5006 12252.8563 10548.3131 19085.1391 10833.6154 6978.9756 7100.6752 4518.7137 5880.1691 6164.7498 13699.0946 15202.7355 6155.0266 9713.4235 5049.5730 18864.1760 5555.1336 15674.6505 6243.7555 7485.3178 6587.3668 10891.2838 5621.7181 15820.0545 10180.2273 8973.6865 7147.7906 7292.7512 7949.5742 10395.3781 14704.6474 11385.1977 7763.1422 8710.1777 PC P-42:2 or PC O-42:3 1925.0919 1454.7465 1556.3958 3995.0730 3090.8066 1423.6453 1600.0412 1920.9461 1404.7966 1040.7693 861.0376 1409.5496 754.7957 2218.1147 1203.1961 1531.1958 2086.6334 1565.5719 1227.0361 1666.5719 2036.6791 2025.4021 1690.7697 3024.7698 2208.4257 1633.6491 3328.5070 1072.8646 2359.7672 2642.1241 1165.6096 2128.6056 1463.8621 830.3840 1937.8657 1307.8657 2578.4000 2421.6092 715.0934 3310.1249 2817.7255 1420.0914 1519.1633 2813.0406 2675.8624 1581.1118 2827.7189 1148.9375 1178.8959 2066.9887 979.6693 2338.9547 1339.1001 937.1281 2034.2387 2212.6359 2894.9753 1677.0072 686.9482 3303.1009 PC P-42:3 or PC O-42:4 3148.2550 3378.3385 3147.7233 8917.5518 5517.3369 2492.4951 3029.9865 4376.2400 2378.7541 2153.3157 1903.1949 3467.7892 2083.6614 3906.3246 3054.0660 2440.6813 3181.5994 3276.7578 2920.3855 2968.0444 4210.6982 4483.5709 3279.4551 3181.9123 2822.9982 3127.2437 4570.7782 1744.2776 3882.1977 3631.5113 3265.0156 3447.8878 2659.7763 2203.0032 4823.3691 2781.4291 6330.0401 5627.4441 1917.5943 6083.0672 4620.6825 3161.8062 3023.7004 3417.2668 3292.4318 3879.7838 3660.4065 1973.3496 2235.6572 2916.8840 3409.7582 3453.9074 2953.0913 2273.9916 4358.8063 4168.3856 7357.0092 4013.5809 1778.0584 5367.9983 PC P-42:4 or PC O-42:5 7993.1274 7597.9471 7257.0352 18666.9511 17817.9788 6980.9945 7928.5867 11305.8502 6652.3299 4834.1938 3691.3932 7116.6711 4045.4215 9657.4666 8163.5648 5350.1696 7026.8928 7267.4658 8972.5782 8285.6115 10807.2813 9058.5335 7633.1870 10241.7801 6472.4101 6016.5867 10731.9978 3915.6066 6613.4380 9348.9100 7289.9676 7288.6327 6077.0963 4407.8475 11753.9011 6130.8158 15326.7541 11075.0658 3748.2333 14458.9136 10668.6253 6346.3735 7508.0598 12178.0697 6233.9308 8682.3419 8225.5365 4153.6042 4694.7313 7121.6860 8120.2538 8516.0371 6035.2311 6192.5899 13999.6653 9368.9724 17562.3319 7418.3904 4055.6001 11628.8259 PC P-42:5 10608.2631 9775.9761 6834.7763 19876.9184 19722.1136 8566.4933 7643.2553 13063.1996 9648.8262 7103.1675 6048.7491 7677.6653 3816.1091 11833.0212 7080.4190 6797.3780 8840.2648 9471.5223 10018.3132 8543.7562 14329.6893 13027.9525 9959.9513 13592.4450 7202.2412 7819.4858 15090.3676 5080.5441 7524.9858 10625.4915 7567.8600 10275.8408 8563.5148 6061.2593 13219.0125 7672.8848 14809.6711 10759.8579 4172.9215 20308.7576 16300.3477 8496.6085 9849.7293 13694.7715 6765.8076 9356.3302 11066.5165 4147.3727 5997.3400 9469.3489 7337.0424 10655.9382 7822.9740 7219.3327 13035.8675 11055.7006 19019.0474 8510.6688 4135.6511 15428.6823 PC P-44:5 or PC O-44:6 1191.0203 1547.5514 1607.8229 3143.6238 2789.9608 1143.6023 1364.8368 2062.9879 1219.4052 1145.5640 800.6643 1367.6550 973.7928 2011.2745 1004.5152 1120.0881 1391.9497 1196.6829 1540.2169 1169.1775 2756.3837 2274.0414 1603.8386 3078.0385 1427.7946 1235.5490 2754.7225 1182.8274 1893.9035 1924.2782 1371.2505 1770.6901 1112.1805 961.1096 2776.8977 1441.2576 2667.4763 2349.6802 891.2924 3062.5407 2266.7682 1711.0369 1431.4067 3064.0856 1322.0905 1527.3980 1915.6697 1037.1981 962.9263 1558.1412 1349.3841 2037.2856 1235.6844 1075.4471 2715.5441 1844.7687 3711.5567 1670.0806 915.0837 2400.4738 PE 34:1 7424.1134 6773.5506 8502.9281 7489.0774 18391.1230 6018.1371 15117.3782 8466.1417 8776.0620 5145.7068 10316.6390 7950.5082 16300.7525 10411.9407 10546.4290 13229.7333 24482.6483 6681.4795 6448.3614 24852.5393 9690.4615 5030.5773 5131.3264 12711.6685 14984.8593 10617.2802 12944.9676 10886.8991 11894.7493 8468.5151 4049.2550 11653.5018 4529.5005 8652.7483 7979.3219 9534.3929 9145.9771 5947.1285 18395.0615 4339.4747 12929.5837 9580.4213 5512.0860 7097.0331 13209.9381 7788.4904 11697.9167 18802.1561 13253.0834 7852.8138 5318.9533 9386.3933 5001.9586 9334.8809 8481.4784 7378.2986 8812.2738 9054.6077 13817.1282 5345.9531 PE 34:2 9107.1479 7061.5022 9742.8966 8931.6200 19366.4556 8095.1941 13663.9384 7521.3428 11384.5842 8238.9588 9472.3323 8927.8821 13371.6988 11580.3385 7093.8467 18796.6134 39785.7123 9744.4700 5098.3732 23095.4382 10706.6244 2377.5875 3900.2595 6328.3764 21000.2156 8809.9193 13061.2190 8802.4681 19108.7812 10480.5666 2915.8838 13090.9614 4808.7633 7000.4751 5123.7404 5421.3262 6759.1035 3685.6015 11614.8424 5375.3702 12088.0927 5893.9177 5667.5702 5992.7080 18037.0259 6621.5883 13814.7350 13291.2452 14458.6747 8493.5458 4688.5916 10665.0513 5799.7193 12121.0831 4033.3194 5349.7700 9362.6089 8018.7758 8789.6454 6359.8999 PE 36:1 9305.1415 8337.1069 9944.3376 7415.0779 13923.6682 6785.9619 14869.1720 7876.0869 9807.9227 6900.1354 12807.9457 9486.4502 14911.1408 10443.8484 21581.4279 11802.2748 13028.4466 7679.3016 8206.0276 14045.8097 8560.6427 6827.0061 7791.1877 10287.9049 10401.3745 8522.7500 12128.3782 7819.6062 13564.2790 10145.6397 5361.7378 10579.9557 5127.1201 8388.1611 9226.2133 7657.0399 7567.3238 7906.1162 13171.7115 7860.4381 11950.2058 9010.1505 10219.2017 10666.7612 10041.5571 11497.7777 15122.6927 13761.0310 10156.0654 12885.8575 7445.7876 8686.4787 6386.3811 7985.9366 9024.0738 8636.6339 8029.1656 12906.9744 10992.1444 6543.2521 PE 36:2 54442.0502 47378.6963 63813.1997 46284.5319 81447.9706 47763.5245 68249.9776 33908.5322 67153.4554 52299.7322 78429.8874 54875.1290 68976.9885 58066.9336 61530.3123 88903.8365 109597.3183 60495.1441 40940.7226 72117.0350 48177.6271 22573.7580 25982.0253 40569.3814 86224.0492 47240.5655 71431.9883 54856.3103 98788.9912 64498.0829 21038.9270 66749.8231 29383.6323 49282.6443 36597.9787 28046.6844 35028.6831 27860.4939 63603.8357 36529.9140 72402.9578 36513.6665 42690.6329 44594.3769 82664.1641 53149.0443 92278.1387 65776.5375 69525.8126 61484.4706 26337.3134 60425.5435 38911.6844 68614.1876 35288.5244 36130.9237 43031.8933 52073.4221 51082.6406 39718.0436 PE 36:3 14481.2978 8821.5294 12316.9408 8546.8123 14043.1144 8443.0067 17135.7822 6742.0067 12916.2556 10617.0496 17676.6738 10844.3321 13815.1860 16050.1944 8509.4390 14817.2523 29220.0197 11496.0651 5807.6153 16242.7199 5356.3061 4347.8346 3686.1182 9131.4988 13412.2367 7725.7717 13023.3090 6650.1167 13182.4357 16806.6109 2634.5271 15306.9868 4147.2979 5804.0286 5976.9330 3627.6990 6605.6450 4272.4516 12146.5315 6761.5442 11325.9910 10308.8571 5294.0673 9184.7304 12356.4746 11385.6494 25256.5139 8942.0441 10104.6558 9382.1420 3721.3489 10479.2270 5272.3104 7532.4826 4270.1114 4724.7885 7651.2481 8915.9260 8658.7793 6083.4766 PE 36:4 7924.5375 7291.2623 11269.2732 11537.3451 23539.7717 7466.2491 14066.0981 10806.9006 10397.6424 8500.0427 7472.4929 9704.9222 11932.4840 13501.3805 5851.4170 11594.5671 25027.5870 10211.4474 5445.7261 35773.4498 8287.6655 3892.8385 4757.3198 10009.7976 17651.8179 9068.7533 8235.8723 9607.6860 10563.7854 9213.1022 4303.2817 13104.6753 7194.7033 6814.9897 9176.7598 6056.4354 12668.8395 7738.8081 17593.7332 2998.2674 8223.6824 4003.4044 4154.8743 7865.9031 11619.5285 3992.6088 7993.7252 15723.6166 15164.5713 7733.3829 6435.2170 8111.1228 8446.5970 10457.6444 6470.5798 6372.0967 13515.2161 8744.7431 11866.1015 4851.6553 PE 38:2 8317.1614 8055.9452 7521.9330 8052.6265 8801.3876 8715.9228 7706.4040 5881.2066 7151.9292 6046.5105 7262.7586 6337.5672 6542.9803 6931.1160 5509.4749 7424.4603 5822.6023 6246.4023 6393.0361 7016.7833 7642.0712 8653.9907 6966.4495 6900.0620 6580.2707 8312.1370 10088.5793 5908.3187 9917.1121 9133.7441 6156.1389 8284.9410 7079.9305 5026.4928 7430.9698 5560.7739 6773.0145 7931.1697 5647.5213 10006.9006 7669.8295 6569.0359 6909.3651 6446.0342 8140.9092 7360.1579 9159.5628 6461.6373 5995.0169 9781.4222 5575.6581 7139.1623 6882.8859 6448.7118 5593.6724 6786.9171 7257.8529 7560.7706 4328.8542 8954.0122 PE 38:3|PE 18:0_20:3 6147.0894 7324.3535 7020.2767 6273.7715 10267.1876 8006.3315 9588.0394 3835.1284 8420.0758 7083.6909 5977.6708 5934.1631 9711.7048 8015.5495 5673.5174 12175.2782 19512.2601 9065.1376 5125.4939 11364.4743 5085.8421 2778.0399 4821.0861 7850.0190 7492.0417 5799.7900 10882.4074 9960.0697 11881.0474 5749.3447 4899.8603 14192.9075 4159.1020 12199.8319 5170.4813 6568.5079 5802.0018 2780.2551 8731.0039 4204.4288 10788.6933 3592.2869 6319.4462 7924.6226 7481.6917 3505.1650 8485.5987 11873.7797 11391.2769 5854.4705 5524.7662 14086.7239 5837.2388 10872.2740 5704.9652 5167.2149 5085.1632 3758.0662 8383.8188 5474.5499 PE 38:4 9730.6871 10395.3497 10590.2381 10662.0778 13810.3498 8497.8548 10306.5493 11388.9986 9431.2953 9940.3792 10196.4103 11149.4535 10906.7334 11143.3250 8166.6807 9227.8596 10345.3485 11200.8258 8539.2385 14744.5020 10097.6405 7846.1632 7257.3795 11007.4232 12776.7396 10305.7887 8579.6654 11400.1573 7518.4892 9330.9557 6251.6495 12163.0983 9965.9796 10253.7924 9126.3767 8874.6732 11654.4892 11654.1517 15442.7335 6863.9246 9664.1711 6136.1807 6484.8678 10194.2983 6996.3793 6630.3231 7929.0392 16756.1915 10709.7631 8691.7925 7852.2342 9002.1756 10559.3737 11859.5132 8671.9922 9578.7855 12361.6221 9882.6830 13303.1552 7990.0314 PE 38:5 10414.3839 11313.0150 10688.3616 8871.3438 11901.6705 11458.7090 12580.8005 10361.0237 10462.8285 7036.3436 8258.1113 8260.7659 10869.3165 11383.2979 7507.5372 8144.9033 15139.4652 10683.7989 7711.8585 13535.4935 6919.2975 9908.0875 7011.9884 14210.9667 11907.1526 13452.5960 10210.2548 8944.1023 7865.2886 9252.5275 5533.5242 12740.7559 12207.0437 7670.3812 8416.9319 7339.4554 13420.6288 11703.9281 12185.7398 11479.8554 8516.3792 7982.0233 5412.2351 12737.2900 10016.0532 13634.0588 8921.4902 12192.0290 10397.2416 8496.9866 5868.0635 7992.4365 10634.5560 8953.6131 6992.3066 9237.6269 11773.2391 10688.4085 9939.9457 10650.4823 PE 38:6 4730.2979 7242.2377 8621.2783 12673.9929 24835.7480 10033.6979 6791.3859 17865.0945 10167.2327 9417.0911 5390.0126 13318.9952 11984.8664 20422.8184 3514.8417 12079.7181 31465.6434 8068.9748 9021.3280 39854.2404 6491.8398 1391.4789 891.7135 14588.0633 16726.6674 5697.0175 8081.4135 13056.8663 15969.0441 11825.6504 4484.4091 6839.8793 6716.8556 7976.0778 2784.1097 7990.7045 12735.7991 1903.8134 16812.0658 1135.9577 3144.0310 4773.2337 2055.9476 15530.8382 10178.7581 1512.3713 6626.2728 11713.1467 13532.7962 9908.7038 5217.1467 10834.6973 7669.4690 11696.3213 8683.3485 6553.9001 15465.5570 2567.1718 18977.3505 1760.0155 PE O-38:5 8956.2052 13770.0569 8442.9762 6081.5163 9558.3241 13453.3489 9501.0754 10551.5103 5309.3934 5466.6670 6716.0849 8473.2459 10217.9991 10107.3127 9439.7308 6143.6165 6039.2221 9247.1192 11622.8911 6538.0545 8280.6673 18016.8505 8497.6937 11250.2453 12509.2750 13956.5195 11349.1847 5590.7519 8052.0879 9844.7966 10053.5718 14858.0101 14194.2772 7291.9298 8796.4315 7340.2720 8489.5067 21440.6281 9964.3446 17735.6449 6053.1950 11182.8408 6340.0315 6432.1787 9490.0067 17434.6491 6515.7911 14767.8539 4278.6585 9959.1690 6999.1099 6915.0773 12314.6858 8961.4767 9748.2208 11847.2035 10412.9294 14308.7838 11022.9767 11866.1223 PE P-34:1 8565.3894 8774.6861 8127.2798 7421.6088 14842.2373 10623.0272 12590.9819 9650.0992 7248.7416 5375.3288 8563.0923 6806.4732 14691.5211 10595.2925 8813.5309 10171.4913 15853.8238 6384.3806 7262.8995 16267.8078 8656.3550 9781.2702 5934.3579 12909.1437 12822.1028 13364.6941 14096.4925 9009.8622 11988.7038 8982.7340 4797.7860 12279.7259 8341.6476 9769.9828 8829.3048 8193.3382 9888.0196 8684.0235 12592.1473 11626.3294 10877.7419 11864.0772 5402.0138 9413.2457 14880.7218 14441.1112 11470.1407 15847.7653 10098.1859 9012.6159 5704.5104 8568.5716 7499.9026 8410.7168 8295.7789 9296.7864 8640.4640 8965.4509 10663.8074 9468.6773 PE P-34:2 or PE O-34:3 19309.1233 20027.7740 13023.6565 8732.5607 15526.4998 34352.6961 19969.5886 11633.8991 8167.6650 8489.8061 15280.1830 10641.8964 22225.7217 16235.9693 14226.6014 12303.6592 13481.3387 11755.9091 8877.7349 10011.4585 7630.3601 24225.5292 10840.0666 16824.0060 16369.1993 28218.0984 26584.8828 10082.2506 16839.6035 20077.1365 7871.3704 20554.1708 19691.2105 9903.8479 13413.8641 6755.0481 15602.0082 21338.9325 9165.2085 41155.9860 13332.3926 16407.7456 8547.4873 9291.5293 33710.2609 34390.5581 21262.8347 14142.2496 7932.0404 21127.5233 5111.6436 12975.8479 16915.0877 15379.8864 8816.3245 17540.4362 11935.6975 15288.5493 7660.6485 25598.1138 PE P-36:1 10685.7031 12458.1710 8785.2144 6804.5296 10156.8445 15995.9955 11237.1381 9468.4686 5678.0077 5904.6931 6246.8962 6409.7441 13548.1405 11216.1886 8772.3899 7795.0352 6938.0405 6767.1048 8062.4881 6145.7413 7973.6681 16725.6461 6596.3022 14028.3013 11387.5813 16707.3681 13799.4700 5462.1438 10810.5061 9924.0029 6045.5597 11735.5724 10668.1025 8319.8233 9233.8998 6210.8529 10761.1868 16028.7003 9741.9989 16620.9509 9621.5676 12535.6552 5254.5509 9470.0356 15737.8793 18891.0027 9803.7165 12562.2063 5488.3606 9355.3171 5229.4824 7372.3943 10027.1250 7668.7680 8446.0781 12111.2969 8826.4094 10862.7384 8724.7899 14152.4537 PE P-36:2 13422.2010 12107.3043 10108.2640 5912.6530 11009.2577 20710.0208 12332.6926 6144.9678 5732.4248 5679.3982 8165.7754 8190.8632 12953.7780 11504.1566 8486.0202 9998.5588 10165.9509 8463.5729 6632.7548 4896.6314 6504.5303 13654.6864 6088.5522 12345.2108 12414.7156 15623.5056 14025.5163 5939.6080 10803.3006 13828.9630 5016.5004 13423.7688 10646.8478 4989.1734 7484.4463 4363.2836 8840.8086 17867.5502 8192.6798 19400.9013 10446.9255 8625.5663 4756.5165 6919.7589 19116.0590 17237.3341 11041.2608 9674.4145 5389.7099 12755.3915 2948.6833 8169.4358 11267.2702 9426.9534 5926.5889 10904.8356 7603.1303 11448.5601 6385.7831 15884.0266 PE P-36:4 8951.5020 14243.4969 6782.2618 5833.9187 10442.9714 14008.1828 10313.5588 14681.4216 4758.7403 4982.8986 7766.2795 7788.1599 13447.1953 8964.6707 10912.7920 5482.4874 5193.5273 7845.2985 10352.5392 8955.3553 7134.3791 15291.2979 9140.7770 9818.4423 11538.1320 13328.8897 11796.2346 6479.9989 8956.1012 9150.6977 8816.8504 14249.0536 14416.9373 8407.5842 8661.8283 6381.9440 10102.6073 16860.9133 7765.2871 21176.8325 5496.5664 12040.7323 6563.8274 6019.5860 8926.3379 17046.5192 6742.6868 17402.3775 4476.7011 10341.1235 8442.6427 7478.9900 12552.7913 10022.7961 9093.0634 12219.7823 11920.0919 12315.0284 8765.5089 10950.8000 PE P-36:5 or PE O-36:6 5265.3348 4175.0141 2877.9739 327.1035 1906.0889 10794.4896 3144.7402 2143.0273 1283.8135 1196.5258 1276.4631 2759.6358 4542.9488 2424.9549 2795.2579 1858.6394 410.6123 2646.6460 2035.1807 3547.9083 175.6676 13821.6556 1016.0569 4040.4249 3342.9017 1498.3910 590.4966 3526.9550 7560.3897 5706.1236 2111.5575 2855.7690 3681.3274 564.3297 2479.8293 996.2706 5675.2084 1714.3075 3548.0072 907.8085 346.6480 25301.3771 1153.5110 1303.9068 9.0536 1279.4885 291.8069 3120.6832 688.1237 7920.3696 825.4968 296.5733 4966.6028 2532.7607 3359.1067 3327.8789 2483.7683 1811.6912 4568.4282 1246.7767 PE P-38:3 or PE O-38:4 7573.5339 7900.4669 4992.3046 3462.1516 5471.2219 12243.7962 7745.4691 3843.0196 3213.4505 2736.1465 3273.0928 3348.8627 6376.4291 6647.4494 4792.5242 4483.9586 5962.0555 4896.1627 3642.5783 3399.2913 4331.0039 9491.3003 4089.7485 6650.5873 5788.7759 6646.8318 12216.5955 2831.1058 8581.9406 5262.6377 4059.5371 14086.1940 5371.7630 4557.9058 4283.5351 3211.8263 4212.2694 7076.0140 4366.6461 8968.5478 5755.5190 5297.3861 3128.0332 3382.9032 7250.1736 6247.3196 6257.3659 5443.1515 4635.1535 5756.4057 3525.0134 6510.3453 5379.3815 4716.0838 3700.7272 5298.3743 3963.3359 4887.1023 4453.4073 7976.6765 PE P-38:5 11185.4174 13466.6169 10003.7014 7821.5353 11336.9092 13966.7101 11593.7674 11214.7561 8985.4112 6899.4258 8067.0027 8930.9616 11124.2774 11200.7591 8896.3251 7493.1016 11078.1521 10922.2394 9103.8778 10674.9768 6953.8955 12803.1067 7606.4077 11786.6349 10785.7144 14038.7469 10427.3532 7231.3847 7471.6313 9745.9795 6917.1541 13669.1154 13006.3052 7213.5678 8217.1385 7075.4072 11438.2072 13943.3788 10460.7217 14682.4411 7348.9435 9564.5891 5631.4856 10055.9317 9043.9467 16449.0497 8023.5403 12886.7019 7310.8747 9879.4493 5812.3712 8117.7197 11666.4978 8554.4764 7134.3384 9669.4385 10784.0962 11580.8562 8743.6249 12301.8527 PE P-38:6 or PE O-38:7 19973.6970 20309.8044 16219.8958 18342.2978 26084.6514 38891.4024 13156.7987 26517.8497 13498.7550 18944.8717 14791.4471 20817.5468 24030.8528 30422.2509 17944.6800 15188.6253 13246.3342 14068.0840 21468.1926 32261.9120 16436.0958 45873.2739 11423.8606 24409.4576 18219.9004 23097.4767 21128.3596 16302.4215 27123.6214 32057.8351 17809.4312 18282.9656 25566.3608 13621.2431 14720.3263 18791.5808 25852.2113 27819.5344 18447.1203 25840.2813 11048.1952 42834.3101 10099.8030 20030.1470 22442.6382 30207.7737 16692.8209 14592.9496 16767.4294 31691.2849 14900.8528 17996.1924 21791.5332 15095.3066 17940.3978 23972.6796 25233.3361 18939.6380 20637.0436 18058.6664 PE P-40:4 8700.9621 10169.4380 7912.2643 9048.6333 9812.4062 7909.4248 7992.3568 11806.3290 4333.7746 4953.9583 5732.9031 6769.5285 10060.5776 6839.2600 5763.8419 4900.7008 4679.7035 7021.8498 5210.8004 4177.0552 12457.2998 16966.1831 13067.5215 8963.8877 17740.4709 11436.4086 12887.2228 8051.8149 7031.0056 7535.8641 5541.6923 21605.6253 10701.5163 12354.8811 8869.6327 7403.1704 6991.4201 27309.9960 12174.2182 13662.4604 10611.6805 12184.7226 8289.5526 7054.9095 7409.0399 12900.6249 6679.2385 29160.1143 5631.9956 6453.9860 9168.0012 8688.5245 11613.8347 7646.7167 8370.4974 13136.7408 8155.8814 15759.4357 14088.2367 10448.2067 PE P-40:5 12074.0826 12452.8517 8981.3330 7348.9857 8375.1064 13597.5157 8629.1171 9807.8004 6644.1185 5403.3140 7140.4355 9326.2265 8951.7394 8660.5960 7550.3739 7711.8359 5549.7877 9346.5287 6799.2114 4564.2184 10302.8449 21059.7055 10902.7896 9502.5829 14744.8318 11435.8374 11438.3519 6018.0328 9158.2764 8551.8930 5110.2499 17194.8047 12566.6538 8828.1210 9435.4566 7128.3957 7998.2505 16983.6288 10353.1974 14292.5842 10470.0580 20023.8557 8271.8445 6644.7308 11520.0143 14938.2209 7145.0997 15781.5265 6214.2863 8736.6200 5855.4670 9459.7754 13198.7691 7201.8758 8864.8990 11244.3356 8840.5871 11519.6964 9952.6938 12193.9771 PE P-40:6 or PE O-40:7 17746.2892 24921.1220 16993.2421 21722.3673 25551.0343 44242.3452 13030.6510 26228.1296 14341.2848 15429.9427 13285.7094 21333.1203 25775.7421 32094.7015 17436.2136 15869.4773 13930.6880 16639.7167 25954.4817 20010.8901 14369.6065 68584.1195 11646.3723 27021.3956 22181.2544 22529.5846 23015.4421 15764.8256 27385.4794 34344.7946 22299.8792 19983.7725 25892.4297 12509.1545 12058.4228 18809.2969 21997.0500 35814.6410 19663.3511 28394.1492 10133.1606 51667.5753 11243.5633 22338.2339 27935.7109 37884.7049 17534.0551 15112.0833 12247.7079 36528.0604 12411.6395 17494.7694 20702.5753 13457.9797 19944.6358 27381.2720 27663.6377 21560.2023 23349.8855 19262.5775 PE P-40:7 12101.5291 11674.4782 8097.1797 10963.7769 14474.0865 23857.2124 6697.3917 11717.2022 9312.1131 9812.7254 8230.9845 12759.9145 14065.3093 17963.7999 8949.0079 8834.7334 9526.0766 9546.4979 12520.9683 14346.7907 4630.4700 20677.5834 5004.3692 12377.6853 8257.8417 9873.0860 9196.5213 8515.4688 8911.8281 16711.5372 6637.7615 8511.7465 9721.1873 4503.7219 4492.2399 6720.4877 10051.5976 11700.3481 8747.3686 12594.2695 4438.6389 17672.6236 4854.5644 11947.3096 7877.1860 13468.4050 8020.0802 6121.1963 6545.7482 16615.2928 3587.5342 8707.8068 8818.1684 6274.1604 5312.4596 9263.1246 10107.6633 7732.0368 9230.4635 10116.6398 Phenylacetylglutamine 72745.1512 82279.0871 102624.4855 95661.0086 56570.9322 166871.7683 21111.9042 67872.6846 69405.9167 63312.6625 111452.8816 62906.4326 96110.8156 40970.8627 31455.1964 92327.6156 42545.7744 18915.2807 58813.3377 23182.7483 127845.9710 56463.5537 31619.5937 145103.1445 18471.0013 67980.0975 28908.7689 16874.0279 20616.0144 82425.9020 75712.7779 101972.1686 36443.3823 25793.1814 95802.9430 286722.8637 56028.8967 70489.6194 145178.0210 131706.9610 66089.3251 107299.0444 21091.9282 81649.9493 8822.4877 39656.7070 15342.0960 34925.7634 20199.9714 43165.9347 45016.6282 68816.9088 106608.9416 32159.8151 61318.2499 57467.1201 63298.7956 27237.9192 124814.3439 81457.8787 Phenylacetylglycine 466.8414 345.3676 552.8380 1515.9674 1483.4284 1700.9513 481.9355 700.6290 2036.9774 399.3011 1107.7040 435.9967 398.7313 532.4006 911.3305 584.6154 559.7221 363.5369 281.1463 420.4389 699.5506 458.1416 330.9721 1089.1288 238.2344 181.2714 348.2448 223.9832 563.6776 448.0598 634.8554 366.9407 338.1874 222.3711 387.2176 338.8790 871.7908 472.7858 468.2038 282.6271 335.3213 347.3422 314.8968 1086.2391 289.6980 316.6542 568.5821 541.5097 179.7518 381.2764 448.9646 790.5743 570.4133 1036.1954 389.7745 256.7670 324.3783 492.1194 317.9179 464.6421 Phenylalanine 14101.4500 9338.7540 10282.3060 11980.7339 10479.3098 9981.4693 7106.4330 10607.7586 10848.6354 10694.4081 16814.1952 10973.2617 10322.3189 11035.0335 9743.7202 14236.6422 9412.9189 10456.6224 7776.0575 13524.2807 8088.8496 10362.0373 7666.9993 11091.4029 7063.7679 7321.8578 10556.4131 8635.3967 9115.9968 11572.1800 8230.1613 10554.6023 9017.9351 7858.4124 9563.5403 9794.3251 10875.8848 8678.2584 7341.6355 8354.7187 7859.4729 11199.1445 9553.0851 11616.0471 7419.1237 13777.0783 10216.6012 8978.9084 7830.1756 9641.7573 9140.6272 8960.4659 8790.5599 9935.5729 8533.6267 9858.6830 10610.9625 17688.3855 8781.4362 8147.6018 Phenyl-beta-glucopyranoside 2969.0729 3145.1926 3158.0511 3698.3667 3476.0243 5622.7901 1572.3226 3366.9115 4536.2284 3067.8700 4145.5588 3259.5388 1810.4058 3451.4906 3058.7317 3434.6153 3441.0503 2628.0690 1565.5563 2267.8691 5029.3133 4831.6839 2571.8162 2267.9703 1924.6830 2343.9123 3258.0035 3321.1626 3342.5626 4240.0859 5539.1429 3883.8109 3702.6734 1452.3900 3241.2276 2577.5628 2844.6322 4960.9772 2514.1624 2595.7788 2435.6333 4497.3714 3305.5368 1886.0985 5038.6766 2589.4289 3496.1546 2531.8801 2649.1283 3896.5610 4978.2256 2871.6812 2379.3024 2507.3459 2916.5885 3725.6518 2384.5940 2722.8516 2945.4775 3744.2324 Phloroglucinol 341.7775 381.1339 485.5235 516.3197 704.0196 423.4283 269.9882 471.5772 627.1782 425.5463 502.5324 423.2414 273.4947 398.1013 325.8836 414.1026 301.9191 515.0106 295.6758 314.9384 645.7390 1146.0377 753.2781 378.9732 602.6389 306.7670 391.8867 335.0337 536.3294 539.6251 1339.0546 792.5492 452.9450 319.1350 376.4070 367.2767 467.5694 1257.2698 659.7883 315.5545 190.2628 856.0888 619.2384 639.5536 1336.8973 813.4892 400.2202 309.4341 415.4918 487.0701 699.8566 793.0372 403.6954 245.4338 650.5202 359.2209 424.5404 723.0289 609.5180 422.4931 phosphate 249625.3612 336307.4915 233139.8049 224700.7305 248472.7325 266952.8373 567185.3363 183899.7666 362237.2312 386907.3909 577666.6077 493630.0568 382971.6454 378740.7036 441792.5734 247447.9792 349627.1867 269264.7894 512120.9115 172212.1568 215426.1664 637020.3078 490739.1289 830713.3282 882168.1053 643274.5598 795056.2271 636060.5776 716568.1418 537569.1597 245053.2548 641661.2313 777966.1098 854090.9299 594135.3187 544804.2796 341975.3470 692222.7313 285278.4985 268796.8859 221269.1388 259546.7829 500573.1270 486939.7030 320978.3520 948290.5928 476922.0109 524655.9938 453736.0299 325795.4424 383666.2130 490968.9185 500829.5050 520442.7744 480431.8239 741793.1922 360041.3955 331040.9620 517331.5203 247527.8253 PI 34:1|PI 16:0_18:1 56506.1378 28640.5485 41991.6373 23014.8549 61035.4710 31662.7204 65110.9344 25804.2588 31421.6618 23621.1557 28156.9355 29638.3808 43268.5757 55774.9474 33083.6452 34610.9383 53030.9604 23563.8863 24796.6022 126865.6413 31788.3760 23123.4524 45550.2915 35801.8399 31177.1362 40223.4527 45306.6901 26874.5593 70269.3010 40079.1059 22173.6905 44814.0419 25312.2044 25912.2147 65674.4829 21903.3632 38434.4501 32270.1404 33901.1459 39457.4088 34911.7159 24871.8861 35717.8880 28235.4054 29178.5978 42090.9029 45868.6290 32136.5674 49095.8375 48999.7278 27683.7038 30033.4009 25214.8563 25899.4137 45017.4498 32665.6767 34495.7018 36324.6387 25205.4719 34696.6443 PI 34:2|PI 16:0_18:2 80031.1776 44252.2568 38933.1837 42103.2427 77914.6790 51397.3904 67860.1405 35038.1026 48015.4952 42931.3733 29595.1126 35863.1030 54620.2780 53277.1059 32869.9324 50739.3412 102424.9465 61578.8657 27945.2046 89366.0546 62268.2948 25963.3161 84225.8497 32732.6795 60645.5748 52220.1735 59101.1929 41871.3908 76910.1428 45097.4504 34151.3345 74679.6817 39426.7506 37874.5310 62359.8807 21681.3908 41129.2111 28597.7660 31226.6967 63827.1904 48396.1301 32420.6366 62045.8259 29561.2667 40692.3608 42724.4494 57129.4458 39871.7129 39917.1314 43705.3165 30172.9171 43325.1860 36676.3154 54353.4280 35354.3323 29779.3937 50713.5908 33991.1435 24757.4621 51618.7599 PI 36:2|PI 18:0_18:2 148728.1162 123254.5155 101708.1393 110564.6565 179408.4248 126274.8876 142542.0234 137984.5822 118346.7155 109636.0699 94370.5825 99907.0613 105305.6960 135618.2122 79241.0194 114924.0670 182922.1654 120518.1455 76371.6379 182760.2307 115910.7800 83366.7323 121923.6327 121287.3222 131437.8029 125814.9619 129027.6933 102818.7093 159014.8184 128127.0460 81347.7759 133249.3887 110987.5392 79411.2210 142929.3108 61802.1244 114382.8944 94577.6256 74123.1450 171841.3968 128228.7813 93554.8280 102892.5964 120829.0170 119453.6163 101713.1399 149932.5928 77194.8055 90616.3567 114161.6296 60922.8587 121111.9901 91480.4215 98360.7239 86560.6289 81163.6129 146525.8034 84249.0264 61207.0249 137624.3070 PI 36:4|PI 16:0_20:4 84234.9320 51296.9905 51456.1542 57065.4711 64564.3707 57173.4186 67670.5120 29462.3986 57401.6951 40239.7286 32238.5986 48936.9116 61319.1785 61343.8730 39160.4064 45981.3109 74823.5389 73474.2113 42307.0599 96180.1003 53921.4240 31317.7965 125912.8920 39973.6607 42753.9120 57409.8633 60195.8400 38013.9656 73974.8968 44758.2588 46424.3535 68157.8759 48761.5803 45239.3556 83403.8250 38027.1064 50760.6946 37847.6338 51533.0598 59643.7687 34770.3455 37343.9499 87888.1777 33529.3053 27484.8597 47659.2259 45954.0955 51139.2129 53254.3685 56129.0411 54567.3568 43883.6816 53883.9721 53822.6535 54937.0246 39763.8063 51693.4884 44608.0847 43513.5004 54990.4458 PI 38:3|PI 18:0_20:3 53263.1920 45280.3420 41678.2235 54099.4877 54827.5062 49009.7720 58801.1076 23286.9626 48875.4327 35486.6431 26530.4513 35524.5679 31072.7779 57406.0299 38432.9989 52695.3483 62203.0225 42231.6099 34206.8431 74245.7800 25015.0607 30769.4461 73994.3007 51295.0182 30242.8619 39972.1221 54917.5799 40184.7127 72505.7514 41617.2130 46614.1039 71636.9278 35952.2947 37567.9702 42235.8903 35369.6901 32572.2615 32361.0506 40341.5627 42432.9200 45924.0843 35596.2974 65354.2476 43895.6509 35289.4584 30885.3931 54970.8072 33340.5727 59374.4988 48168.3560 47554.0022 55306.3412 33762.1154 31502.9895 27776.7449 30621.4526 26700.2661 28198.9652 36601.4412 53154.5732 PI 38:4 9653.8586 8663.8636 12787.6354 7239.7495 12145.2232 13419.9906 12192.7748 17071.6846 14064.3684 7271.4628 10245.4552 13102.5802 9229.5080 10236.4764 8537.8819 7259.2720 7518.2803 9425.5339 11574.0701 16226.7332 4504.4199 15713.3288 15297.4057 12237.6339 11641.9160 6113.6617 9293.2840 6718.5094 5123.5563 12033.8231 5430.9394 12522.0404 13068.8774 9441.9108 12511.2789 9177.1069 9594.4672 15282.3752 12727.8801 11327.0596 8800.7866 9233.5706 12186.3083 4806.1801 6573.9275 13730.9471 14514.8252 9309.6685 4228.5853 10953.9643 5436.4212 4322.3395 10724.3883 7286.8626 4415.9286 5062.6474 10486.7997 12636.4701 9003.0904 8658.4115 PI 38:5|PI 18:1_20:4 47018.8055 29601.1392 29303.7122 28048.8184 24580.4222 43186.8840 30140.3491 11099.5514 33736.0076 23391.4687 26268.8338 40373.5264 25360.4272 35583.4059 18762.9318 23909.1565 31788.4475 63692.4760 23015.3251 16341.8546 13759.5610 14704.6610 22706.5579 9648.7228 15985.0915 12312.3230 14827.8719 10883.9900 8374.8900 31882.1320 7526.4546 28399.9806 20229.0764 10127.5544 17290.6603 9427.0541 8165.3345 13935.2420 26515.6617 26572.5301 11073.3708 37120.2979 19086.0730 10771.0722 9134.0002 11122.8733 26748.5606 17195.0337 9355.2053 19305.6966 9420.2428 29861.1642 22111.5030 14503.6452 9937.9623 12030.1890 7969.4452 13851.6642 21164.4877 31802.6037 pipecolinic acid 6632.8753 1246.5369 1761.4883 1580.5444 3099.4296 4221.8308 944.1715 4710.6687 1216.3526 2047.3097 271.6027 479.0494 2307.0280 4347.8304 2296.6764 4269.1003 15495.4687 3858.6219 476.0164 3566.9340 2935.6727 1079.4791 599.8262 1764.8403 1331.8355 3187.1267 4101.9833 809.2502 722.0729 994.1404 4295.6301 324.6132 417.1079 1123.2542 2674.8235 14683.9986 1802.4561 555.9861 2970.4724 2866.4648 968.9577 3259.9392 1218.1865 2064.8947 869.8734 503.1957 3385.7342 2055.9996 314.5776 497.2486 682.0513 2550.2739 1147.8524 676.3437 646.6767 3633.5713 6397.9149 1052.6678 697.1239 1122.6050 Piperine 547.0350 5212.9276 4878.1505 90.7271 9930.5038 9945.1366 641.7111 6202.3630 855.6116 8178.1746 32303.3671 23089.2698 25578.6581 6841.5873 37765.9030 6875.3204 4829.3266 11995.4563 9647.6046 11390.9233 709.8990 7620.1933 11917.7094 592.7745 3869.7414 2689.1912 2199.0187 187.2801 779.4248 2149.9543 199.6626 3815.5428 850.2500 357.2824 2761.6281 691.9568 8068.3381 2066.6373 6069.2330 3596.4067 392.6700 16117.1950 9710.7839 4658.8888 3214.0224 2543.0458 4065.6987 4043.5947 438.0835 2048.8369 5880.1163 1539.2802 3771.3967 986.8181 5052.2840 315.5831 4037.7288 6144.7007 6638.3777 4315.2504 Proline 15181.4770 10296.2874 17826.0844 15884.0571 10918.0899 11603.5197 5054.7401 22408.0880 13638.0364 9840.3113 13030.5235 8389.0288 12093.6791 8348.9351 9004.7571 14217.5918 12922.2854 16383.6038 6586.7508 8857.5396 11796.1634 8747.2763 7211.0893 8649.6445 6852.9447 7217.5917 13983.7017 9225.9838 8190.2074 8238.8433 7090.7680 9108.3957 5004.8766 9809.4412 5197.4530 5758.3065 7243.8129 6484.8023 12793.8193 9478.4564 9443.0945 10101.1014 13778.7958 13863.6804 4448.1629 7550.5212 8942.6425 11440.1561 5296.5997 7908.9744 6333.9577 19313.3975 7398.2785 10005.8743 7215.5431 4753.1843 11893.9152 11346.6922 9441.7667 8954.6973 Proline-hydroxyproline 943.2296 6370.8592 3940.0447 6364.0939 12591.1643 3754.1564 1053.2149 7004.7928 3110.2090 2281.4529 2436.6821 1455.2548 4029.6723 1343.9517 2051.3513 1618.8568 2212.6946 2437.4646 1739.1841 1502.0139 3845.4585 1333.3971 3396.5336 682.4872 1690.3670 6075.5801 3468.1972 2469.4618 6736.7829 2115.7699 6154.8689 3227.7978 1711.8018 579.6534 7456.3959 1334.6910 3934.6220 2086.2821 10093.5320 2871.0886 2836.3996 2853.6293 1947.4344 786.5006 2578.4603 1874.9499 1323.8054 1475.4527 1881.0088 1803.7306 6232.6856 2965.2694 984.8264 3920.4056 3661.1922 3126.7395 3588.3775 6844.7431 1134.8194 2551.0155 Propionic acid 258.7199 266.0113 767.6714 158.3600 289.9586 357.0791 141.5156 248.5137 302.7757 224.0211 407.8910 165.8179 175.8838 142.9328 279.0021 8960.0426 293.6473 277.7018 83.5448 168.0192 353.9146 12931.9002 179.0505 801.5451 142.6272 7455.3676 206.6312 147.7536 426.9364 4806.5701 264.2242 203.7374 1011.0846 140.4938 190.6604 118.3237 563.0944 348.3685 226.4180 147.2588 455.4162 2626.3720 233.9736 213.7411 156.6734 291.6787 63.4965 199.0370 156.1778 266.0555 302.3909 273.3762 3299.8233 178.6293 32106.6668 94.8647 431.8918 137.9188 157.9062 87.3086 Pseudouridine 8961.0635 10527.6713 11504.2600 14118.7135 9601.3003 12905.3695 8177.1622 11068.4013 13231.8959 11182.6100 13970.5340 12198.2348 20857.4781 7996.4205 11008.4603 8734.1540 6048.0183 12696.8430 10566.0618 7913.6722 16124.2037 7456.3659 9198.4594 13007.0527 12263.5202 4488.9473 7561.8098 8566.6832 11152.0761 13701.7951 10711.7574 6636.6764 5573.0034 4907.1183 6559.0605 6624.8031 13391.4640 9325.1446 9215.2112 14094.1967 10417.8634 5408.2364 7260.5825 9232.4708 6388.2941 8848.9283 5861.8182 4661.9435 6731.8727 10396.8831 14922.9054 5630.2872 9370.2891 6879.8400 13465.0152 9190.4605 17631.4613 9473.0072 11441.9589 12958.2090 P-Toluenesulfonic acid 1220.0885 862.8602 644.5002 824.7919 484.8109 706.9202 6089.7341 830.8741 896.1619 517.4043 750.4661 678.3459 201.6678 511.2964 546.5696 602.8846 4994.7617 691.7300 333.4526 518.1245 1020.3504 560.7106 348.1537 419.2182 278.9850 266.2631 724.0997 389.6178 764.2314 782.5785 608.5525 920.5517 487.7201 266.1009 695.8123 262.2053 508.7960 565.7714 428.2477 275.3099 501.2952 507.4553 923.5800 340.6499 329.6054 460.2636 485.8443 334.4145 473.4445 1202.4871 694.5747 416.2214 466.8101 406.6359 711.0025 338.9831 399.7296 449.2810 545.3028 488.7272 Pyroglutamic Acid 10816.1429 12006.7069 11033.8538 8733.9531 9317.9450 8622.9440 7002.7393 11563.9896 6662.4566 9102.8312 8180.4898 11124.8412 9273.3388 8033.5195 8351.9315 8653.4250 4765.2260 8557.6994 5621.8444 6975.1199 9774.1483 12857.1151 12211.8207 11355.1156 10403.9067 8522.5936 12560.4665 10076.7258 11457.3812 9768.9144 8985.0487 16905.9705 10277.4316 12463.5752 11251.2427 12116.0810 7115.0118 16729.6356 8558.9070 8203.0575 7331.2725 9666.8361 10771.5536 9300.3386 7311.5917 15230.5943 10042.9563 11484.0639 9937.0604 7893.2200 11723.8851 12481.5091 9660.0139 10665.7302 9591.7273 12508.9383 7166.4475 11585.2294 12240.3615 7411.5228 Pyruvic acid 3928.4952 8132.4027 7776.4252 6435.3695 4504.4983 7555.6929 7272.9769 5456.1146 6402.7068 3568.6752 17168.3495 7124.5903 10757.6382 5358.8566 6659.4224 5706.5700 4854.7588 5321.2331 4283.7418 3733.4161 6326.8482 14931.5992 16136.0780 19547.8015 16874.1999 13224.0793 15879.6605 10141.3959 18427.7175 7320.1931 2877.0382 11808.7580 17466.3873 2275.2932 15455.4016 16262.6962 3021.7389 22862.6613 10921.7134 7147.9303 5848.1192 10261.6356 11078.2685 13163.1738 8589.2625 10558.8992 17189.1625 12700.2064 12026.5180 10013.0924 6305.6466 9563.5912 14485.2399 11489.4331 14813.7910 16987.2460 3245.2412 12333.4931 12135.5592 6301.2952 quinic acid 13062.5796 6629.6022 5999.1628 5449.1439 5561.4018 5339.2566 24239.2281 5557.9966 14297.7694 7596.5715 7734.5976 9880.1406 5229.7966 8945.9788 8235.7837 5756.2040 5234.6583 6144.9856 8908.5887 16219.4939 11394.2835 24923.9950 24377.7299 33252.5127 25673.8764 14310.0438 5601.5086 12214.3367 7274.3237 21619.1220 27708.1295 18502.9535 8247.5364 5211.9407 8981.9756 8851.2989 9525.5559 17181.4732 19753.5393 10370.1723 6971.3956 802.3674 16931.9461 25238.5946 61393.9697 7629.6685 13825.6703 11939.9610 12686.5576 23429.8578 17226.4967 3252.5093 2085.6597 5697.9062 9644.1787 20503.5827 13482.1551 23183.2174 18373.9140 10651.1061 Quinolone 70.6468 146.4180 306.4957 123.7188 182.0940 165.2697 107.6040 161.6836 231.1368 174.3427 206.6115 171.6157 175.8838 145.8106 124.6362 225.3205 467.3542 296.6360 82.0918 192.2453 264.9186 213.3435 124.7928 203.7400 235.0997 802.7734 138.0510 564.6635 1042.2718 92.7862 239.1169 1089.0884 306.8898 740.6166 1112.5135 252.7394 164.9062 187.2808 611.6361 53.0497 73.5413 154.9482 88.8396 143.6073 67.9904 1395.0626 167.3998 348.1134 979.3033 130.9328 141.2918 1257.2841 452.5200 1237.3349 1544.3135 150.5186 124.9729 158.8156 783.2149 190.6739 (R)-Butyrylcarnitine 37665.2202 23245.8121 33456.7223 29078.8615 31477.9108 22978.5253 10906.4803 16538.1377 31187.2461 24311.4400 34156.2053 6137.5806 43632.9898 18877.6775 26325.6747 22061.1107 19766.7384 28137.5057 25051.8070 32481.6366 16894.7671 24602.8854 15050.1887 34987.1095 19138.6845 16552.8018 21893.1064 60323.0029 18005.7769 19565.6828 14861.1150 39418.3867 36124.3213 8576.6375 43595.3955 54484.7370 24782.1860 11170.0567 48295.6861 7645.5654 11567.5716 20632.6437 11511.3251 30807.9462 15974.7775 22382.5491 12042.2033 80240.1325 11476.6091 16042.9376 16919.3646 40411.6473 36232.5595 15394.7987 72108.2834 22545.5376 19189.7792 14381.1700 49612.0305 13133.4145 Ribitol 7219.8525 10042.3534 8866.7754 4258.2057 6835.8136 5522.7593 7138.9699 7755.4619 8087.7773 6907.5162 4870.5403 13673.2590 8573.9938 7993.1838 7748.0092 21925.0717 8974.2317 7725.8801 10801.0860 7666.5857 9715.2431 9806.3405 13505.3291 10959.5128 17830.0096 9714.5049 6477.6662 6922.7583 11875.1760 10605.8072 12147.6387 8039.0517 8150.3968 15339.0890 8920.2143 6484.3043 8253.0017 8037.7953 8226.3955 9453.4032 7378.1127 4292.2526 8165.7065 37406.7403 44706.3056 8003.0876 8815.8925 8027.6807 7620.7709 9161.7430 11122.2900 10360.4488 7024.6095 6318.5944 3343.6342 5513.4776 12688.5649 9930.4893 9784.3951 7284.2392 Riboflavin 2368.5756 2674.6432 4081.8347 2113.1167 3365.8400 3693.8390 697.7956 1796.4846 3533.2840 1866.2173 3801.6507 1883.1345 874.8146 1584.7311 4325.6755 1660.4701 1280.7435 6007.1953 2156.9080 604.0878 3003.1002 1375.7923 2110.6255 1535.1769 583.0473 1859.1939 2439.4947 2217.2454 4061.2135 1842.2947 1248.1902 3533.9372 2319.4958 1690.5783 2139.5247 3059.3768 2662.6320 1895.0724 610.6116 3007.3716 2015.3010 1146.6167 2263.2108 2011.3375 468.5422 2355.7292 2523.5040 2609.2387 3876.9408 1950.3754 1423.4820 2832.2756 3066.4182 3206.6144 3098.0353 2294.4602 1797.4050 1224.5518 646.3628 3178.2321 ribonic acid 3932.0154 5910.8589 4444.0233 2402.1045 2768.4984 3073.4208 3838.7260 1749.9591 4899.6599 4099.3607 3994.9926 3776.8091 2909.7740 6097.1679 3810.5281 4694.9987 3538.3189 3410.1350 1636.5524 4462.0542 5391.3645 4156.6377 3460.1544 9175.5460 5090.4144 4724.4010 1399.1710 2832.8796 5872.0796 5024.6247 9118.3500 9050.7424 3410.2434 4603.3824 7320.5697 6639.7211 6108.3788 6477.4885 6603.5415 7674.6657 2809.9773 5243.7127 7204.4310 4345.3170 7899.7097 5311.6200 5602.1632 1901.3757 2423.7258 3145.4350 5393.0556 6528.0114 2097.4932 3560.5340 3641.1797 3357.7916 6841.8360 8646.9840 7945.4499 5378.6014 Ribose 7217.9011 15914.0819 11733.9572 6871.8002 8215.8078 6867.0132 7109.6222 11880.9472 9455.9205 8256.9616 5804.8222 11769.8902 5513.2632 10521.5800 11144.4072 5710.9332 8608.7738 12194.6885 15068.9143 5849.2598 16253.1483 12758.5419 13729.9600 10884.8088 8115.9235 10341.3770 4362.2809 4858.9934 13135.5338 16076.3484 27261.2430 7915.9391 2256.4886 5744.3977 10829.6986 4689.5354 9390.5122 3762.8571 8959.0116 11767.2767 9972.7357 6767.2430 4694.2580 7499.6867 18841.3913 9581.2831 12435.1482 6528.3716 4803.5370 15589.1945 22758.9246 8550.7053 7196.6193 9369.0192 6577.0536 4313.7565 22221.9374 14484.5510 8701.1001 10309.0626 S-Adenosyl-homocysteine 370.4181 359.8977 402.4546 382.7034 387.3848 335.3649 144.1241 321.8702 189.2348 213.7105 479.8718 321.1997 620.6579 268.5985 401.3513 319.7115 204.0366 393.8317 342.8968 302.4346 463.6075 661.9120 778.5984 461.1400 580.6963 417.6546 830.9779 945.8114 591.0258 228.3029 249.8772 1398.4279 647.6853 630.8267 733.1582 379.5823 335.8456 548.7459 620.8567 198.4792 267.1775 777.3235 467.9472 503.4606 376.1640 549.4620 304.0134 1340.0753 330.0360 326.8083 402.7477 653.8862 402.5046 506.1164 564.5010 491.3990 339.9999 453.4603 657.9426 349.2342 Salicylic acid 2202.1404 3157.0245 4887.6561 2446.5323 2329.1120 3043.3102 2076.3497 20997.9011 7653.4001 61207.2982 5373.8114 2626.1275 2209.2221 3032.9284 3157.7351 2667.4699 3119.3538 3816.2638 79722.0741 1822.4806 2861.4495 24142.6037 1469.6462 3076.1932 2824.1282 12317.4302 1783.2750 2280.1873 4843.8661 1964.9662 3615.6136 2056.2436 2306.2056 1806.5186 2639.6316 199822.2481 1713.6141 1570.4624 1800.6380 1786.6587 1633.6532 12346.9983 2160.4502 4730.6773 1466.2744 50568.4181 1961.8550 1955.5684 3571.9593 2437.6275 2574.5922 2577.6513 3319.3822 1578.3032 1637.9768 2945.2093 2544.5264 1700.3858 2263.6725 1795.0471 Salicylic alcohol 1043.4716 856.1541 769.1036 1176.1532 1027.6134 1460.8880 594.7566 615.2960 1443.5912 628.9461 1836.8424 499.7728 1081.0867 1273.9243 1333.2640 1641.1859 938.8442 1093.1353 606.6077 1361.3466 680.9235 1326.5591 968.5004 1079.9060 661.4139 549.7902 487.1864 1055.9208 773.3474 1036.5197 1604.4744 1196.8239 640.7303 361.9345 491.3929 483.7072 706.8846 1269.0567 1108.5264 649.4020 473.6329 1298.9824 856.7304 1224.8369 1125.5360 891.0918 732.1336 637.4020 620.7820 803.4038 1118.4502 908.7910 741.8946 445.1211 1427.3811 762.0795 410.7567 1123.2024 933.7521 845.9898 Secoisolariciresinol 49.6437 211.2443 3869.8657 133.6163 1053.1298 159.2380 104.3433 312.8877 141.9261 57.1769 306.5847 395.4119 82.8772 88.2538 312.1622 152.2436 398.4229 263.8167 35.5973 358.7015 101.4141 482.7581 0.9043 518.9921 112.8479 158.0315 91.7371 213.6310 2956.6485 463.9311 357.4798 134.4027 209.5197 70.7121 2508.0694 4448.9700 155.8565 407.3030 145.4813 173.7836 31.0358 98.1339 73.0068 288.8845 104.2026 291.6787 65.4206 116.8436 3657.8990 450.4089 138.6508 268.4505 115.5117 79.8749 3787.5329 5108.7787 13.7838 331.2141 214.7525 376.3300 Serine 9751.3732 12598.3786 11068.4362 15163.9392 6353.4235 16675.1745 6827.8220 13274.3100 11322.1983 7556.4947 12039.9711 9866.5702 9897.0104 8457.6229 8964.6608 10465.9035 11101.5422 15189.3783 5080.3078 8550.2504 8456.5439 12538.2017 7002.5298 9711.9702 9231.4022 10952.5181 11662.8670 9066.6030 9813.3045 14114.8678 7579.6976 12601.2629 11491.2674 9175.9711 9330.3311 7383.0163 5197.4185 14154.4547 6258.1344 8975.8121 5834.4735 12938.3500 10477.8668 12068.8770 5374.2882 9881.0306 10386.8044 10116.7546 10647.8581 13951.3089 7338.0097 10581.4085 10511.6903 5666.8644 10554.9272 8557.2004 5268.9722 11749.1367 10087.8807 13103.3559 Serotonin 344.6831 841.0369 622.2707 536.9410 769.2443 409.7894 840.4483 546.1216 507.8737 751.9762 550.2996 860.0654 424.8210 840.4907 533.6108 579.6669 721.9134 464.8327 436.6762 792.9993 3937.7381 2319.2475 1213.5327 2127.7805 1856.1008 756.9911 1478.2965 811.2658 514.5134 1593.1737 337.9040 6116.0771 413.2458 766.3709 1434.7598 698.2880 547.2277 3533.2666 2417.9686 660.5205 482.4389 2063.0832 449.4178 1001.1610 413.2883 609.5463 548.3011 7730.1995 475.0334 497.2486 1846.1910 1437.0439 556.1759 407.0684 1044.4778 1663.5747 367.0137 1895.3906 3517.9299 471.8781 SM 39:1;2O 78465.7374 90675.1835 61462.1105 71874.5611 47133.9779 85259.1742 63223.6020 69092.0585 55572.1521 57746.9032 47861.6154 78848.2829 33751.7711 65362.4822 45884.8414 50987.4483 40218.4807 65984.3532 40416.1202 45252.5825 45142.3046 109621.6956 40399.8243 49748.4526 46830.8863 79562.4519 62599.6070 61687.9674 29909.6691 78821.1767 48565.8224 94887.2694 84042.0352 31365.8673 65510.5097 59530.2939 54103.0649 80619.4062 58379.6496 51809.6064 67638.9683 83429.1312 41509.8198 46181.7833 84736.8608 88952.6866 50623.0062 53234.4600 22712.5499 86103.1019 51011.6586 68725.5204 85107.5427 29763.0816 44671.9582 61865.3302 49478.0254 62040.0324 53875.5523 58815.2824 SM 40:1;2O 276836.2049 342130.5937 244582.1722 374791.9987 228725.1820 301048.5522 216181.3565 297093.9353 216585.8652 233359.8489 193031.2596 296678.4217 199648.7816 320481.1317 197522.1909 222091.9027 232220.6002 270386.7922 178445.8299 249264.1826 288606.8976 438970.6209 231788.5687 227645.2256 202660.6972 358786.9439 306580.5619 236625.9831 228653.8332 300345.2427 244219.0572 294666.4435 299317.4326 232153.0798 244442.5976 235753.4699 266634.4835 374235.5254 228312.7188 326989.6208 369973.1689 343606.6942 215926.9239 201180.6045 298624.2927 347228.9454 262098.7771 213589.5641 132680.5234 296186.3023 239977.8219 237277.0146 282434.3220 184499.7358 205921.6626 236113.3161 278491.1834 274140.2734 205082.3290 325337.6842 SM 41:1;2O 179373.2160 200877.9589 138379.5033 130270.4981 102675.1695 181211.3085 136111.7459 181965.6811 129867.9624 140877.0921 104971.1196 161642.0881 110857.1653 159404.8330 107589.6532 120339.8696 136485.9650 180226.9736 102724.2642 128254.7376 121787.6584 259373.7699 115587.2342 128689.8848 112421.7518 167934.9057 164376.7160 134163.9256 87248.9682 182734.0761 112136.8828 168148.5103 185045.5623 93861.9275 146140.6312 135541.7797 145853.3374 203209.3758 113774.7856 155385.3046 159994.5211 188828.6098 102678.0804 112186.5775 157091.1561 139494.5492 131098.2265 122287.2604 59667.9195 172209.4726 121640.6529 130842.8568 177641.5664 93825.3152 106064.9324 141926.1176 148123.9697 161045.0293 103543.6260 178531.5649 SM 41:2;2O 102731.7986 110733.0890 74008.3687 87007.0793 59941.8854 110468.6308 76300.6428 91824.3818 72628.1584 75389.0189 59769.5209 84758.7958 62174.6136 85825.8708 49287.2526 67865.9425 66790.3448 114681.2277 58232.8429 58400.4607 67133.7539 131125.6327 67265.5160 77583.0824 56055.6808 87371.9277 101279.9221 58021.9589 42003.8568 99509.9856 53632.9996 112749.0469 103042.6889 35661.4012 90522.8197 79667.2569 68891.3483 114524.9320 52007.3097 85314.4924 94023.9175 94232.7113 59291.2456 75218.0509 80935.0891 77157.7030 85843.7351 54341.1611 32402.8804 99819.1031 56841.0279 91022.5357 97017.1362 35898.0937 63275.2740 84065.4177 60636.9985 93379.0571 49342.0751 108920.2741 SM 42:1;2O|SM 18:1;2O/24:0 223970.0197 274974.8170 212930.2818 278196.0091 198074.0422 225381.1326 169356.9562 264304.8277 180431.9363 207100.8815 136342.9308 245488.6634 176697.3221 308963.0885 159966.9173 170172.6103 212685.9588 209657.7831 140737.6856 259776.4717 219601.4857 380864.2947 191187.7661 208811.2170 142846.1920 297634.9403 269887.6022 194541.6484 207589.4851 231420.7563 210149.9790 229020.5866 252505.3699 172144.4891 205126.2831 198422.5024 258847.1218 353616.8817 175613.7708 284795.2819 280328.8296 292710.0256 159967.5017 166343.5742 204114.9291 229197.8507 218085.9912 176666.9155 133936.8704 217684.3146 206362.9650 171134.0263 242061.5601 138083.4384 172448.6623 190685.5965 287574.6789 257136.2358 157895.1489 303402.7424 SM d30:1 18855.8925 10610.4122 13020.8910 7492.7221 8437.7781 13661.1623 15358.0004 11691.0121 8107.2663 15263.9158 7440.2009 10453.1613 6365.0398 8418.6366 6185.5948 8478.9748 6372.0524 6508.6124 5728.0393 7519.0160 6911.9619 9644.0180 9202.5474 4322.1577 7853.8543 10083.8318 14837.0322 11287.3381 3444.7396 13345.9200 12057.1279 25068.5096 11793.2023 4401.5776 12906.8264 8927.1140 11096.0232 7086.9842 8685.5228 6312.3700 10153.8678 9262.8583 8265.2191 4815.8924 12630.4750 16470.2951 6810.1404 13676.2788 4546.1437 12179.6196 14818.6180 14901.1284 14261.0759 5077.1920 9088.8747 9775.4215 13137.6186 7731.8768 9734.8733 7425.4900 SM d32:0 13437.9670 10929.5582 13752.4691 7140.6780 12595.2686 15403.3192 12347.0030 15446.4167 8299.6454 14580.0213 8854.7699 11767.0058 8412.3050 10485.2862 7684.9371 7853.0651 6036.1431 6487.0690 6201.4653 10943.3494 10984.7176 11983.3955 9976.3601 6074.8233 7279.2302 7838.2005 10574.0888 11119.1924 4826.0159 13251.4468 9388.2013 9581.7112 11468.7653 6493.4322 12311.5629 8971.8854 14172.4868 12224.2497 6951.4530 7594.1944 10234.8784 8132.1753 8018.9724 5225.4439 12317.6537 11571.3942 5202.0153 14178.9548 5013.4236 13885.3938 12769.1131 6829.2732 13392.9894 7243.5300 10660.9882 10217.3716 15231.8733 11252.8487 6092.8894 10805.6619 SM d32:1 12621.0216 10336.5611 10401.9484 10284.1209 8970.2308 12760.9375 12149.4115 13112.8714 8745.5645 10172.0842 7921.9697 12216.1008 6886.5453 10109.5529 7609.8639 7925.7751 6463.8711 6473.1981 7093.2490 9075.7318 9880.5125 14244.5219 7993.8676 7261.4896 9019.7119 11882.0667 9761.2246 11396.3504 5563.6080 12387.4730 9754.4246 14895.4107 11923.9105 4836.2647 13475.5628 8578.1176 11948.2638 11807.5839 10864.0060 7678.5938 10706.3957 10954.9875 7988.5636 5942.8907 13903.4847 13511.1208 7016.6755 12803.5464 5383.4327 11545.4817 10922.2886 11811.2301 12554.0349 5226.4277 11979.7682 10129.5895 12222.1172 10200.3915 10012.9276 8701.0713 SM d32:2 16587.5016 11943.7906 9713.6621 7980.8747 9689.3291 17984.2923 12319.5688 10935.6849 8286.5065 12454.4265 7001.2448 10217.5820 8664.5414 9459.7383 4873.0995 9227.5460 7722.1901 9369.8615 7231.4565 8794.4316 11439.3102 8369.8695 13839.3054 7010.9855 7286.1878 7025.9599 14627.4267 12617.8574 4074.5568 13731.1670 9737.5097 18128.2410 12263.9397 5864.4805 11182.8558 9407.2610 9183.2646 9076.8330 5585.0088 7957.3652 12544.0930 6827.0305 12636.7649 7454.7993 9931.0350 9923.7336 9457.1305 15335.1969 4620.3854 14424.7947 11746.6167 13120.3208 12377.9070 5739.8149 11509.6126 10019.1908 8466.0115 8906.0941 5677.6109 10415.1428 SM d33:1 9100.2344 10564.9844 9131.2950 10640.4346 7691.2578 13620.1535 10184.2403 12116.7640 7802.5197 8936.4754 8215.9590 11253.7194 7372.0198 9002.0475 7299.8511 8468.8820 6161.3141 7952.0359 7768.1516 6845.7976 10519.2101 19141.0297 6851.3877 7821.7888 11228.7552 11662.3620 9969.9932 9769.0930 6827.7320 13613.9340 8792.2210 13105.3433 13250.2510 4939.1313 11383.2219 9181.9879 13220.4224 15893.9495 8771.7606 9560.5210 10616.6261 11924.4519 6882.3608 6831.8047 14806.5978 12229.0623 7588.0144 10998.5352 5018.4248 12293.8373 9150.1072 12239.2175 11915.5964 5192.2016 9829.0608 10947.7612 13493.9052 13186.6113 9153.6572 10069.9336 SM d34:0 8851.0689 11383.1221 10820.5727 9252.1709 10339.2661 13556.8480 8166.8910 15926.2750 6577.6163 9934.3634 8888.5319 11682.1279 13558.0744 10417.8920 6569.1474 7214.8200 6928.2444 7801.5821 7497.5791 10061.6646 13824.9823 14986.7627 10788.3055 10191.8458 9753.6216 9927.6092 10014.1783 8295.4905 9428.4925 12751.8159 8529.9114 7052.5323 10167.7769 6683.9064 10504.3699 6813.6808 14462.9630 15604.4568 4416.0603 13428.6324 10653.1393 11882.3002 8252.8662 10376.4843 10974.7666 9691.9641 8346.5409 10516.6011 5500.3586 10975.4396 9187.0960 6251.7367 9552.1587 7558.8698 9178.1184 8976.5185 17785.8658 12498.6261 4448.8699 14336.4265 SM d34:1 9515.0973 10252.0541 9771.7625 11927.0114 9755.4908 10650.1902 9162.9710 12279.1435 8176.9718 8754.1918 7133.7883 9025.0826 8847.4755 10750.4192 6922.1200 7896.9616 8114.5439 8643.1091 8466.6787 8403.1303 12883.7896 16085.7883 9876.6735 9514.1853 9482.0387 11344.6528 11592.8310 7284.5045 10911.2819 11376.7330 10226.3377 9919.7167 11685.6038 6536.4965 11505.6170 8874.1059 12247.9096 14411.6354 7315.5332 14165.3086 12991.1600 10840.2652 8786.8715 8768.4120 11778.0307 10644.0358 9639.4326 6753.9439 7502.9541 10574.2270 9434.5748 9336.0902 9726.8655 6316.8676 9460.3466 8873.0103 14834.5595 10927.2422 7083.3806 14038.7936 SM d34:2 9905.2043 10417.0905 8407.8811 10716.7723 9191.3592 12779.0668 9058.6160 13020.1291 7563.4181 10392.8349 7861.5587 10107.9565 10795.8780 10356.2976 6216.3856 8927.5356 7130.0684 8764.1925 8571.3202 9328.6984 15373.5354 13793.0714 11417.6359 9176.5033 9294.4207 10479.1096 10441.9404 8567.5633 6902.0842 11302.4174 9069.3782 10101.1781 12103.0590 5993.5502 11478.7696 8929.3910 12537.0479 15014.3851 6674.5041 12136.0901 12761.7885 9113.7746 9992.2253 8427.1107 10219.0407 9406.5127 9548.2925 9604.5287 5341.1030 10496.9123 9775.4829 10271.8668 10043.7570 6115.7846 12329.4240 9949.6337 13337.2854 12370.1628 6286.9399 14310.4754 SM d36:0 7035.6487 10066.3162 7751.6049 6076.4770 12344.9281 15206.6067 7253.5508 22702.8435 4275.3465 14167.0561 9378.7323 11420.6611 11774.1846 7495.7497 8054.3839 6501.5705 4260.9635 4499.4911 13716.3617 9537.6187 29991.8486 18610.6456 13649.3832 3976.7726 12197.6908 5705.9963 6065.4231 11298.5189 4527.4630 10571.2537 9216.0716 3726.4015 12775.3239 8543.1607 7573.6183 7873.4716 9901.2131 14503.4358 4290.3432 12531.3332 10388.7445 9722.4352 13527.9402 3383.3743 8928.3630 5443.9001 5609.7571 17964.4555 3407.5964 11167.7962 13922.3544 2890.6479 8568.7310 10618.0594 14507.2170 5839.2626 18417.4080 9921.7369 3621.8855 21098.8704 SM d36:1 8667.8755 9755.4629 8152.8236 11931.8399 10932.9515 10808.6663 10304.7871 12975.2782 6363.1013 10976.2343 7361.8257 10097.3698 7741.2533 9256.3206 6762.5709 7980.9490 6410.1065 8113.6230 9559.9703 7793.0233 18641.0177 18680.3872 10614.9430 8207.5374 14263.9126 9267.9536 9167.4413 8090.6737 8540.3610 11397.6130 12074.0513 8426.2927 12955.2944 5085.5670 8290.3652 9805.2131 10764.3126 13518.3874 7564.3182 11151.9281 12528.6089 11287.6565 10920.0444 7066.3745 11420.8483 8302.7972 7286.9360 9404.9651 6965.2728 10437.5106 14279.7766 8733.2686 9755.0133 5776.5463 9297.1643 11195.2775 15979.4501 10321.2712 6669.8505 13917.7638 SM d36:2 8890.7590 8956.7110 9220.3371 12025.4525 9663.6425 13193.3863 9129.0623 14091.9158 6355.7712 13724.4728 9657.1048 14690.5580 10050.2734 8134.8791 7037.9092 10530.6188 6865.8082 9490.7060 8532.9609 7174.7442 20511.6459 18397.0515 13316.7469 7713.2585 15410.7887 7839.0898 7110.5334 8747.7663 4881.7253 12625.9571 10814.9243 7698.0329 13706.3427 3839.5812 7002.4768 9774.9444 11129.9299 13499.9665 7210.4343 8724.2460 10633.1846 10641.3311 11114.2039 6587.1029 9225.5111 5256.8745 6353.4067 10658.0518 5488.1852 9266.8998 14489.6529 9122.9563 10686.4528 5247.1682 10004.6614 10507.2190 12972.8396 12537.6666 7231.2983 14602.8177 SM d36:3 11748.4474 16238.9588 9723.4911 11275.7486 10465.9779 21644.1447 9284.6176 15545.6768 10473.1141 14953.9999 13002.9298 13997.1434 11043.1038 11174.6360 7254.8248 10713.0718 8337.1817 17625.9989 12439.8118 6024.3226 14922.6536 14219.4718 7590.8026 6517.9820 9945.4191 7272.5616 7605.4878 6168.5837 3210.7993 13142.5238 4954.5094 9230.6008 14621.0322 4994.1076 5697.6185 7091.5218 6243.4738 11440.6847 6819.1093 14886.3028 8677.7939 10345.5134 9733.3316 8220.4951 10082.6225 7348.7815 8097.6273 8031.0984 3055.6623 10424.5248 6395.4143 13852.8035 9518.9143 6067.5333 7833.4509 6761.6040 8058.8370 10384.1328 5110.2337 22457.1777 SM d37:1 9556.8755 13050.8230 8776.5962 12140.5473 8870.6895 12615.9964 9806.1611 11310.3805 7960.1452 10809.2380 7735.9540 12717.9437 6387.4937 10410.9786 6707.7292 8797.7067 5768.3897 9745.2978 8731.1640 6318.5771 10735.2318 18426.6690 7536.7888 9944.3178 11624.2808 10726.1708 9783.0965 10626.5771 6165.0851 13157.8843 9594.1571 11890.0845 14760.0793 5223.0859 7530.5238 10336.9131 10004.9686 11895.6762 9232.7823 9405.0744 9569.1505 12765.8884 8747.1189 10029.6566 13014.5037 11415.5665 7926.9415 11794.2595 3846.2271 13009.0894 10427.2546 11705.0530 12824.1873 5176.7301 7253.2020 12053.1808 11988.2054 9892.2715 8807.5310 10935.8477 SM d38:0 2206.5584 3023.9926 2642.1857 2033.6772 2842.6637 4085.7283 2092.4242 3442.8225 1487.4829 3812.0866 1952.7873 4692.8675 2177.2135 2737.1851 2016.8730 2322.3977 1423.8002 1130.4947 2043.0843 2895.0245 4082.9400 3335.7982 2938.9086 1058.2699 1998.1364 1761.2330 1764.5265 4311.2400 992.6247 3093.1268 1971.3478 1430.7176 2722.8228 2546.3881 1973.0029 1907.0870 2486.9161 3501.5430 1665.3094 2676.9097 3071.4176 2323.6060 2318.7229 1057.6345 2625.9032 2399.2131 1438.2785 5859.6347 682.1659 3092.3110 2936.7627 968.1947 2906.2449 2621.4437 2537.4756 1767.1596 2977.6056 2562.0730 1579.7903 3537.0247 SM d38:1 10004.0753 12376.0301 9004.6630 14631.2431 9811.0126 11121.7941 9379.7498 10007.0831 7687.1475 10167.3068 7055.2506 13726.7069 6555.1083 11819.5897 6685.5257 8591.5729 6756.8559 7862.1045 7021.6831 8741.8703 10785.0729 16545.4162 8846.1895 9370.9221 8977.0044 13292.1540 9798.9736 10480.2046 6469.9633 12048.3751 10110.8652 12128.5496 11896.5123 5462.0957 8322.9507 9858.1301 10204.2581 12538.9636 10494.7647 9872.8617 12416.8383 13465.8382 8215.5627 9375.6736 12115.2920 14386.3184 8312.2499 9978.4488 4877.9807 11879.6568 10752.9792 10105.5135 11923.0151 5292.5759 7290.1646 11926.8242 11299.0369 9449.6134 9081.6800 11344.1374 SM d38:2 8964.7500 12557.0175 8136.8540 14018.9621 11155.6810 12542.4145 9562.5247 9771.1969 7503.7370 11812.8926 7632.0493 10650.3671 9005.0540 11154.1200 5679.6621 9596.3263 7159.7644 9978.2752 9279.9872 7169.7784 12703.2386 15774.3586 11492.7646 10904.5804 10229.2204 10429.0221 12165.0276 6961.2676 6165.2453 12000.4388 9569.0896 10537.2989 13028.3240 4612.5707 7076.5994 10930.4481 9350.0030 13708.2643 6261.7544 12677.4718 13344.0322 11118.5071 10708.9129 12309.9851 10289.7000 9445.8366 9719.9459 7323.0475 4612.5422 11469.9096 9836.2946 11148.3325 9922.4849 4800.9078 7243.5897 13785.0046 10851.2843 11308.9425 5503.5595 15348.7779 SM d39:1 43501.3430 50583.4777 31199.7206 39004.9478 21809.1270 44907.3081 35580.1636 38582.3835 30044.7174 33446.0175 26259.4903 55159.6066 19074.7153 35023.9524 25431.1610 32053.4158 21400.9043 36962.1456 19035.8553 22690.2911 26928.2401 59078.0353 21821.2964 24621.6442 29254.2694 43195.2935 29228.1909 42029.6441 14478.3138 45376.5083 24266.5534 49476.3870 44503.9680 14674.4130 35288.3222 31065.7178 30293.9928 46123.4633 36998.9303 25090.0263 36181.1448 46852.1296 20094.2982 25087.3200 45574.9567 45136.0580 23904.9693 44094.2854 10176.6344 45430.1679 29872.0561 38233.5008 51296.8131 16568.5037 24073.1144 40726.1594 26715.8201 37983.9446 33524.4723 29794.0440 SM d39:2 11838.1491 15422.2177 8426.6884 13269.7264 8213.1537 14883.3157 9125.6586 12209.9404 8905.6719 11419.3993 8105.1755 11994.6470 8454.9017 10108.8591 6259.3947 9864.2454 6335.5976 15358.4336 8332.3902 4965.7996 12284.1086 17700.1087 8963.3797 9831.7627 10221.8019 9668.9070 11871.6475 8528.4186 4450.7131 12885.4560 7043.2990 11298.9677 14264.3117 4482.8125 9795.8710 8617.2385 8483.5430 12860.6414 6640.0360 12297.7304 11600.6281 12494.3829 8234.8283 11273.6123 11844.5982 8983.4728 10333.8773 10449.1172 1859.3190 13389.9220 8251.3947 11835.6365 12331.7077 4905.9093 8302.2236 9969.0867 8616.2668 10097.6033 6735.6782 12806.6144 SM d40:0 9465.6454 12341.8240 9840.2154 9248.6887 10128.6118 15472.8282 6890.4598 16081.4348 5802.1451 12022.1704 8511.6430 19558.9990 11433.9859 12465.7191 7823.0209 8294.4602 8042.9222 4213.8401 10189.4852 12812.4290 15076.0472 15451.8293 12732.4805 6754.4062 7001.7387 8148.8008 8103.3001 16833.9942 2416.1790 11985.1141 6772.2087 6885.1532 10366.6756 12475.9086 8973.5967 6396.9915 13448.4657 17275.4733 5574.3851 11532.8370 14049.6228 11088.0019 9857.9818 3156.1540 8070.4837 7444.3989 6039.2383 18970.1420 1591.5270 10753.0879 9607.8723 2906.9697 10106.7077 11803.1247 8866.0200 6401.7484 12663.4716 11476.6312 5714.9958 14585.7063 SM d40:1 307729.7597 365933.2361 242888.9610 406339.7219 227806.1748 292601.5154 241171.6238 340820.2608 220040.4115 290822.5145 181939.8304 453058.6871 258111.7848 386739.9214 220481.6041 269874.8749 272709.3791 293271.1462 164927.6854 296124.0621 413772.6964 549469.9459 309875.8080 261042.8751 264576.5436 408045.8287 287212.5507 381433.0277 195167.9749 362921.8662 287026.9362 298701.7282 337549.2541 211388.8775 267782.1674 228653.4788 405575.9756 567598.6222 291341.0473 334811.7790 485789.4336 417967.0328 219185.6168 222014.4773 283523.2169 318672.5245 232001.1521 387544.2600 119449.0369 309360.7678 339666.8468 235196.9246 347605.6259 220729.3982 237025.5781 319737.1379 459190.9166 402657.2114 237305.3489 405513.5092 SM d40:2 10081.2083 11365.2642 9127.4569 13687.0316 10096.1239 12818.0075 10262.3811 12057.5463 7928.6155 9718.7896 6147.3735 11427.5393 6990.1730 12108.4256 6561.5099 8513.9099 7092.9065 8830.2233 8016.2569 9052.6553 12775.6078 15319.4532 9072.6928 9006.7206 8751.4965 11548.1431 11140.4919 9614.1737 6853.3866 11651.4504 9242.3560 11764.5006 12028.1401 4887.9578 13719.6184 10005.1362 9777.5492 13976.7582 7270.1292 11299.3262 12263.1861 11649.7688 8115.7007 9180.2909 10104.8586 11229.8935 9003.5930 10125.8335 5042.3757 10499.9453 9847.7627 11164.8077 10816.6539 4624.1092 11982.8168 10388.9000 11430.9127 10944.8588 7732.9464 12262.2993 SM d40:3 7509.2483 11199.2584 8009.0344 10124.2819 9566.6779 13262.4390 8052.2929 12893.1109 7546.2122 10723.5123 6313.3174 6178.0976 4513.8910 9232.9517 5046.7574 5903.3619 6503.5128 7776.6738 8740.4096 5619.9555 16437.1604 14589.0774 8362.9295 7934.3610 8083.3349 9238.7988 11465.9406 6871.8023 6450.5379 9207.9716 8701.4116 9050.8235 14616.9484 5032.0164 12454.5141 7467.8609 7036.2312 8080.0228 3487.3673 15332.2103 11215.7095 9040.0939 10209.9862 8422.8944 8429.6976 9291.0975 8397.6903 6700.0859 4227.7902 9235.5280 6909.3256 10427.9670 10213.4001 5176.7060 11445.7376 6531.5832 11128.8374 6611.0565 4229.7202 14519.1923 SM d41:1 10082.8818 15407.3643 9650.3601 9197.6044 6627.0666 13985.6500 9980.4712 11029.8393 8121.7137 10850.1414 7003.6700 13872.6735 6872.5266 9186.3532 8203.3195 9573.3345 7710.6636 10883.3387 6506.1886 7713.8114 10356.7552 18371.0647 7072.0220 7421.8531 8523.5188 12113.9442 10460.0951 12172.4402 5124.5689 14684.3898 7379.1949 10081.1884 14975.2352 6823.6944 9828.8356 9722.4672 9971.8821 18254.8700 8928.5222 9079.5875 10351.3509 11280.0794 7035.2085 5454.4930 12691.6189 9798.8433 8051.0135 11643.4527 3190.8573 14150.8604 10070.7384 8391.6910 14587.9239 6584.6643 8510.4714 10624.1516 10719.1572 13564.8438 8647.7876 10845.6909 SM d41:2 9878.7897 11249.6204 8777.6133 9226.2266 8400.6679 13443.5767 10428.7777 11749.7939 8188.8482 9683.7805 5809.2497 9924.2541 6660.9310 10567.6118 6438.9758 8103.3307 7370.2911 10894.9436 8709.2386 8004.3478 11543.5397 17425.9949 8219.5574 9835.7258 10280.6010 9609.4313 12009.9857 9013.0778 6818.6089 12971.4664 8478.4951 12951.3523 14054.6689 4242.4775 13540.2049 10691.3997 11364.5144 14702.9793 6413.5728 10962.9255 9204.9888 11951.5133 7351.0786 10455.9997 10813.4878 9287.6606 8783.6999 9911.9491 5181.8169 12206.6326 9536.1876 12480.4289 11865.3116 4792.4293 10854.0284 12137.8016 12641.6761 12299.4957 7683.9809 11918.3841 SM d42:0 9103.6865 13754.2971 11221.7950 10238.1022 10387.4025 12987.2386 5565.0478 16139.7653 5941.0000 11838.9013 8606.1890 18575.5068 11144.0725 12593.5291 7718.8431 8261.6626 7777.9997 5342.9260 9066.3872 14967.7212 10925.3102 14099.5121 11003.6448 5372.2043 5828.2230 9157.1051 10489.7498 14842.4634 4353.4843 10093.3249 7334.4199 10560.2739 8415.3382 11068.8191 8063.8318 7166.1510 12718.8887 19053.7050 7291.0644 12691.9144 12762.9252 13540.7729 8762.2164 5910.3976 9191.7055 6265.5484 6445.6185 15651.5927 4401.6107 10987.4532 8331.9558 4388.3340 10487.3705 8518.8681 8401.4138 6769.9114 13689.7636 12635.3206 6553.5633 14542.1564 SM d42:1 138006.3274 173965.7505 133541.4798 179027.2954 121838.1708 127679.5658 105526.2175 177533.0753 112355.0055 138642.6682 81894.8809 189414.8092 121905.5319 211867.3826 106470.7657 118414.8760 144276.4072 132069.3124 77729.0837 174895.5574 149146.0179 241544.3180 124354.5128 120680.0599 93428.9800 186881.5899 151133.7148 145938.0906 132352.4934 146453.7283 137260.5846 135771.7958 148490.3850 101537.9159 132251.8836 117236.8708 177685.7032 265463.9132 118557.9020 180644.8885 190194.5352 191072.0573 97476.0675 98755.1918 121854.0940 139506.9447 124376.8998 139541.6390 76781.6449 134409.8383 143134.2536 105611.7018 163828.0643 89276.6703 111165.0455 134724.7677 199357.6451 191959.9921 99609.4016 202931.8912 SM d42:2 7338.6544 7769.2898 8288.1621 8744.2597 10700.9797 9737.8009 8639.5760 12264.4361 6885.5553 9014.2767 4040.7529 6873.1431 7820.1529 11853.5738 5850.9684 6683.5516 8581.1939 7249.7080 9692.6672 11622.3954 17009.6411 15338.3018 10913.4040 13033.7056 10183.7235 8786.0875 12279.2335 9020.0169 11955.7439 10706.8932 10697.9995 7994.8090 11810.7423 6171.1707 12568.4377 9796.8460 15213.4032 13733.8634 5234.5085 14530.6100 9766.5450 11169.8648 8653.3183 12837.1539 8023.8995 7042.5979 8564.4293 9022.4863 7633.3548 8816.6493 11779.7964 8807.0270 8722.2182 6252.4021 12674.9235 10080.7714 21958.8175 10561.5234 6394.0583 14607.9239 SM d42:3 8359.9475 8746.6142 8342.7674 10569.2228 11168.3507 11383.4051 9277.2833 11811.3147 7468.9566 9877.7516 4778.0363 7663.4244 8011.8735 12388.4987 5347.5161 7404.8879 7861.7685 8615.6069 9262.5667 9780.3745 16491.0341 14278.1992 11953.1097 12430.1662 9289.7784 8809.8880 14009.7814 7450.5035 10022.4530 10949.5889 9553.1965 9833.3519 12543.0549 4495.3094 13878.6812 10129.1000 11685.9955 13510.1362 4358.7206 15241.5046 11716.0608 10024.6676 9520.6663 13016.4839 7626.3738 7537.8246 10191.7075 7898.0648 7712.8596 9565.0962 9683.2562 10631.8790 9173.7835 5038.7083 12974.2176 10839.4235 15496.2190 11349.6463 4971.0390 15998.3020 SM d43:1 1702.6986 4934.3267 3901.6631 3157.1000 2135.5662 4034.4056 2880.2370 2264.7775 2003.6194 3551.5354 1944.8812 4966.5337 1478.4074 2294.9411 2923.3548 2882.8024 1379.0374 2056.2471 2024.3132 2023.0809 3159.8868 4834.3539 1493.7790 1834.2162 2356.6370 3851.4980 3132.1390 3980.7697 1720.3464 4503.4498 2116.2312 2015.2814 4889.0629 1995.8675 2624.6368 3129.4985 2783.8374 6942.1462 2672.1609 2604.8852 2616.3211 2468.0891 1836.0619 1154.0434 3940.6826 3359.1739 2303.9316 4130.6147 940.5846 4806.2664 3293.7545 2077.0325 4948.9249 1558.5710 3029.0994 3192.8390 3316.8757 5265.7566 3068.7077 2595.2061 SM d43:2 5060.3298 10590.2942 11102.2946 6960.7930 10124.8856 15762.5627 11267.4727 7381.6275 6289.6664 11729.6713 4517.4592 8075.9788 4857.2312 7587.6409 8295.2095 7870.7429 3997.9269 4772.5514 9915.2959 7410.9883 16011.7831 16309.5215 6279.3830 9352.2364 11669.2224 9279.5041 11741.8667 12541.0557 6482.2711 16577.6654 8360.1510 5973.4699 20368.6896 5944.2824 12539.9645 13692.3966 11750.2477 17477.8618 6542.1841 9404.7818 6818.4342 8225.8341 7713.5027 6194.9113 11932.4139 7697.0030 7689.4528 13366.8138 4510.4593 14320.7417 13777.4433 7627.6271 13617.0887 5296.5469 16309.0855 12054.7694 16608.8434 13792.7401 10191.5408 10385.5865 SM d44:2 794.8823 985.9011 1039.2144 1250.8340 1196.7955 1149.1808 1048.2467 1351.6517 886.0489 1036.4626 378.7703 1084.5288 813.6202 1345.4461 760.7389 786.1533 780.7659 733.3654 1117.3735 1157.1507 1760.9342 1670.5871 980.9654 1310.4081 1071.6219 865.2680 1382.9320 968.1381 1428.0398 1231.8011 1322.6445 671.4457 1399.8304 756.7357 1524.7383 1192.1899 1493.4337 1910.1142 698.5032 1458.4956 1116.4390 1699.1616 958.4965 1238.9978 961.4096 836.0060 1114.7269 1159.6303 787.9165 1093.9677 1405.5149 903.9881 1047.4149 735.2749 1588.0997 1313.1462 2285.4557 1386.0900 1011.0404 1764.8381 Sophorose 293.1323 291.7883 356.8115 293.7027 269.4307 427.7802 425.5557 308.1192 485.3668 382.1518 426.6595 352.7178 379.8400 365.8493 405.5833 376.3283 389.7704 302.3966 585.1855 358.4649 329.4606 403.6915 668.2361 616.8824 558.5442 629.8554 342.5557 536.1409 484.3053 328.4389 275.1793 518.7744 575.4544 2913.8596 218.6586 643.4225 352.5025 516.9168 524.9805 385.6274 421.2416 211.1493 459.9923 220.4938 229.2766 265.8764 543.2523 596.5491 517.2585 374.7532 245.4989 784.6260 448.6880 771.0107 438.7806 365.7294 229.7486 296.2774 896.8616 360.7290 Sorbose 10141.6276 3195.4888 9242.1331 5319.9074 2345.1855 12197.3892 4573.4959 5566.1081 12255.6564 3456.8605 6542.2516 8896.1871 4290.2750 2097.9461 4140.4364 3236.6987 6454.7265 10271.1805 3300.3816 2352.2694 9408.7482 8498.1840 5881.5374 4400.1138 4866.5642 3711.0839 6706.6064 8212.0897 7955.2989 3984.9238 5968.3577 8681.7733 8012.1714 7920.6895 6590.5616 5428.6900 2307.6814 8157.8477 5249.6202 2907.6747 5259.8885 6287.0231 9164.5523 5198.2512 6652.7085 12548.4279 4904.6219 5055.7021 4363.1545 13658.9126 8907.9867 9940.0560 6725.8758 5046.6417 8151.6634 5009.4870 2493.0264 4047.7080 6806.8110 7802.5749 Squalene 1179.6046 3392.0392 1310.1002 896.2474 2128.1123 1935.0058 2617.3132 1472.4543 2625.4818 2259.7216 2384.6316 1531.1388 1447.3902 2718.8382 2509.7297 1418.3125 3417.8253 1662.1599 7601.5105 1103.5300 2796.7308 1357.5118 1759.8207 1932.9755 1957.9292 8413.2770 2590.8787 1615.4770 2701.1956 1105.9077 1944.4656 1482.5015 4832.4655 546.6710 916.5689 2377.1718 2024.1432 1475.6172 862.3952 2651.7956 706.8291 1458.4752 1547.0545 2011.2610 2247.5009 1948.7757 1096.6022 2481.9637 1456.7690 1439.8411 3236.0314 1860.4928 2437.7072 8184.4947 2507.7463 1630.9556 279.3977 1895.3906 1994.4401 5006.7575 Stachydrine 116611.0560 668018.1132 196382.0802 37701.2356 611664.2878 26045.0630 5073297.5990 54406.5356 51589.4606 2869801.6010 357277.8531 566210.0737 744258.1918 187506.6881 1665327.9040 969653.6127 978512.8320 1387408.3860 4910925.6870 1206772.8230 81031.9641 33884.6966 237831.5046 319029.2146 2303141.0790 93917.8445 1323900.1330 406387.3878 133523.2202 83077.8473 226938.6710 20701.2132 75380.1357 2185470.1580 1741813.8860 75909.8405 3151237.0550 33066.1968 79082.3932 3315853.1040 3989972.2250 149518.5545 477084.4812 431049.9144 2329062.8410 26449.9951 2084939.5660 1586230.1560 1809087.4360 889570.2030 31237.3752 455131.9136 163510.9461 503876.3154 1348715.2150 88627.6346 4944407.4610 854464.4661 64337.3124 8736.8768 Stearic Acid 554605.2104 878616.4628 564358.7210 549142.2913 950502.8197 487866.3300 1069059.9850 977384.7547 808988.9481 830931.7821 822764.7756 1280353.4330 534679.7274 681661.0595 1327724.2390 587084.2457 1024412.9900 496237.9796 1446170.4050 769335.4560 1000305.4670 809639.0096 1211896.7830 1100750.1230 1016166.2820 748859.2937 563595.7159 747131.4269 585654.6773 746141.5779 897470.0373 427588.4202 668560.2506 602440.7313 468886.8812 673823.9564 754956.4787 518937.3912 468125.6498 464478.0349 435027.3255 622052.0258 767486.0325 452610.2086 907319.2496 646246.1179 1100047.5570 612570.1793 705268.3047 570632.7847 936009.9415 481661.6642 713477.0533 717041.0488 547673.2088 485609.6095 560404.5811 670493.4557 756508.6536 544720.0577 Succinic Acid 5188.4409 4977.5654 958.6623 2926.9341 3127.7394 4448.7142 5268.5545 5515.5314 5922.2572 3897.3797 4187.5468 5950.7230 5113.8454 6334.0072 5236.4221 4440.0666 4108.3057 4245.8122 5671.8736 4573.5534 5851.3462 11591.2903 14385.9143 20358.2789 25058.8729 9798.1826 10062.4516 9016.6395 9768.9343 5888.3700 5713.0060 21780.4346 11868.2648 24119.5373 12271.8388 11228.4707 6048.4634 11731.8076 10834.9865 6967.5202 2705.9419 7343.8757 11725.0449 11329.6072 10083.2493 14687.2103 8135.6577 12058.6723 6415.0616 6440.3561 3649.8157 20943.4776 7214.5088 7653.3072 10482.7595 8946.5327 4426.5549 10163.6889 24091.8964 4578.3286 Sucrose 1779.0095 922.5660 525.5447 3106.5873 1172.4142 4329.7753 4152.8036 4159.6094 10143.7737 2153.5156 995.2011 1124.8564 10018.7789 1449.9187 4309.9331 1222.0553 1305.5213 1304.5963 1997.4987 1285.8886 19288.7063 5691.2592 1002.3542 1444.8035 532.3309 2782.4276 786.4306 2833.8874 2130.1636 496.0898 724.3691 2472.5212 617.9376 1438.8793 594.0724 849.9162 1188.3228 740.3130 2759.4608 2651.7956 11148.1132 942.4469 2058.8620 1738.1268 1282.1776 1377.6337 1180.4125 1266.9188 1550.7200 2232.9475 1952.1119 5113.9602 3803.4938 2580.2038 912.5438 1072.4768 2583.6984 1953.2726 2536.8651 2236.1159 Sulfapyridine 44.8702 59.2378 61.5856 36.2908 111.3441 67.5555 32.6073 1.4971 24.3302 57.1769 203.9455 98.5631 133.5243 33.5748 33.1601 48.7179 64.7954 66.9009 25.4267 38.2928 548.4642 42.3952 23.5117 33.5375 25.8610 27.2239 155225.4291 12.2344 1.5193 45.1722 41.8455 28.8006 608.5634 45.5907 14.7418 32.1840 48.2652 60.2442 1.0245 70.4281 778541.7633 30.9896 36.0636 58.4448 55.4269 33.8954 60.6103 33.8444 12.7693 51.3257 68.6652 16.0085 32.1527 31.2238 29.5691 38.5783 21.1351 39.7039 76.8477 75.2660 Tartaric Acid 1134.1186 8529.4445 5211.3831 572.2661 448.0750 730.6246 5050.4451 650.8031 838.6276 619.2187 614.1465 831.7672 622.7376 1478.8015 681.1844 720.2842 587.7989 770.2941 1251.0184 9154.4012 1261.0025 1158.6343 2115.7506 1535.2487 492.0028 938.4749 791.2553 663.1216 1266.7945 938.2568 1502.3577 1576.5483 1126.7707 859.2018 1328.9250 1250.9330 1175.3412 1423.5248 1650.3757 1502.6842 538.5365 1480.1051 1144.1647 499.5873 1944.4228 1259.4664 938.0695 893.8261 956.4005 879.2685 980.0156 921.6241 574.9123 481.7502 611.6942 685.9898 1070.8622 1816.9065 1620.4214 1874.3764 Taurocholic acid 6439.3560 401.2524 415.3446 1506.0699 1819.7805 2125.5860 1470.5880 4459.7730 1753.1252 1400.3659 4946.6780 8346.5530 53136.2389 3162.7472 5584.6152 4137.9807 8126.9998 475.8799 466.3978 742.4106 1378.4044 2349.5140 1122.2306 1630.7587 969.3945 526.5503 1836.5236 3588.4366 1847.5255 2744.5186 358.6753 3117.9289 205.1728 342.3956 626.0346 600.1377 210.1549 4598.2025 118.8439 798.4901 927.6997 3339.1337 3118.1820 3994.2875 341.4298 1788.4275 4003.1643 1676.9072 512.7345 4625.5949 3202.1743 1454.3120 377.4969 1281.6292 1142.4425 664.0527 159.8919 3137.6528 475.8241 1230.3482 Taxifolin 1.9094 404.6054 213.4012 328.2672 183.2539 336.5712 1391.6784 248.5137 358.1944 169.6561 298.5869 315.4018 255.0775 1.9186 58.3160 275.0534 319.8412 189.3421 100.2537 37.5113 521.5584 2.7352 314.6948 316.0905 159.8678 133.4636 42.7513 178.8101 328.1789 300.3343 312.0475 381.8743 84.3295 35.3561 196.5572 116.4305 336.8511 352.2975 558.3612 176.5276 60.0475 210.4713 167.1240 126.0739 441.1983 240.8356 295.3548 98.3098 206.2725 213.6824 68.6652 646.4977 23.8168 188.0691 72.5787 175.1834 341.8378 432.5635 373.7114 421.4896 TG 40:0 2613.1211 2018.8073 9927.3602 1145.4748 4265.6426 1450.4224 1216.7150 2078.7703 17067.3213 2524.4038 32704.3351 841.9457 5023.4667 1712.8337 75340.5987 3197.9849 2588.4928 2501.9144 7443.2289 3577.9753 1077.4277 2317.0492 7985.6965 1543.9022 979.2808 1276.7980 2655.8422 776.7214 2767.7786 1751.3938 1421.7260 5769.1445 1688.4654 1419.5699 1123.3233 1167.1789 1357.8129 2895.1417 11998.6945 1997.1787 26049.9207 28849.1315 3281.1196 1083.4072 1841.1785 2176.0946 19443.6200 986.9421 1890.1060 2802.4750 1794.6883 23024.6902 1434.5607 1874.2561 1559.0668 1308.4897 9473.3159 4840.9250 4853.7564 1304.3391 TG 40:1 1045.9434 721.9496 2883.7958 296.4758 2019.1806 451.8624 251.4816 449.7990 2867.9088 583.5486 11459.4185 308.1278 2774.6716 533.8447 13326.0016 1285.2524 1124.2340 742.1905 1159.8554 1486.1698 320.4602 817.1496 1547.2137 431.4758 348.4129 252.2899 885.7450 386.3243 1199.6752 761.0670 434.6499 1621.4800 526.0446 562.4885 425.9046 343.9009 423.7147 985.0275 3013.1174 474.1611 2368.4387 2872.8399 1388.5035 347.4539 625.0990 623.9056 5642.0074 599.8641 919.7324 937.0640 486.4668 3046.2464 570.9958 622.1048 696.7896 509.1158 877.8250 1940.2181 2203.1911 344.1496 TG 42:0 6372.9576 3156.5710 16657.5108 1412.5480 11693.4603 1492.8193 2264.1478 2013.3860 25309.8391 4636.8065 84401.8084 1586.5879 9837.1498 2868.1838 136585.9607 7663.1912 6828.0428 5121.2027 13158.5300 8740.0531 1154.0826 3233.6545 13762.2269 2318.9606 1197.3299 1439.8751 4703.0829 2002.0211 6258.7117 2811.2501 2169.5108 12447.7154 2070.6851 3078.4967 1949.5781 1318.2869 2253.3916 5479.5901 19387.0390 1781.1053 37756.5535 36295.9521 8226.6884 1186.4979 2876.9176 3477.6195 32363.7071 3195.5325 4874.2094 5653.9824 5401.2785 28594.3578 2598.6496 5308.4069 3209.1034 2926.6397 10590.2825 11666.7062 14335.6757 1218.6079 TG 42:1 3940.5310 1768.1136 14506.3078 528.0210 6459.4016 929.3860 1439.7115 1376.4526 17761.8862 2730.4043 40440.0176 874.3802 10225.5329 1651.7666 86699.3975 4787.6012 3951.1746 3083.4882 6398.9638 5299.5270 783.5838 1759.2909 8201.8279 1084.9042 599.0529 744.3991 3127.9610 1288.1357 4182.1165 2308.5700 1217.0199 9379.4636 1523.9533 1551.2162 1088.1861 903.5215 1133.1157 2700.3340 16484.3321 570.1938 17921.1215 20564.1106 4107.9813 630.9534 1504.8680 2287.6539 21472.8380 1954.1026 4486.2090 2971.3644 2544.5956 14849.0499 1407.1599 2606.2220 1703.2636 2064.4025 10108.1107 7019.7260 10589.5518 618.4894 TG 42:2 1549.8032 1226.9528 9107.4385 417.7614 2411.1586 594.6732 643.7602 1014.5842 5952.5427 1652.3109 10532.9765 450.0288 4250.9528 789.9325 21838.5651 3340.0695 2826.9406 1876.2152 2464.9397 2077.2015 286.3914 850.7495 2621.4905 533.5740 402.7312 355.8918 1325.8321 635.3406 2148.1494 1286.2973 409.4122 3717.0327 758.5288 749.3709 373.7313 425.1866 934.0982 864.1468 10637.7288 520.6769 8805.6343 21725.9136 2120.7831 541.2263 756.6988 1031.5790 11048.3716 806.7690 1650.3053 2422.2014 699.7638 6727.4247 918.3663 1509.5968 615.4975 950.7117 4473.6993 2788.3420 4496.6196 235.1485 TG 42:3 433.4932 379.6563 1384.6489 44.1773 436.9950 142.8108 83.8272 388.9240 602.3044 388.3146 1768.0739 212.1757 814.3289 266.9223 2282.8702 949.8751 685.2146 515.3856 355.6626 446.7100 95.8187 392.4469 438.6431 169.5718 98.5489 101.6834 360.7043 165.2351 441.5048 345.7687 88.7995 566.6208 157.6164 204.3739 138.4190 64.7055 278.4640 161.8402 1384.9928 130.5444 932.4638 2813.4633 502.1624 110.7271 152.3146 271.3232 1367.4634 264.1113 359.7010 1135.3728 107.0227 771.4983 229.8126 309.0670 201.2948 253.0057 798.1111 588.7611 866.1521 146.9678 TG 44:0 22564.2313 7690.7520 50312.1450 3228.1562 42676.1893 4424.9039 10721.7411 5120.2684 59635.0954 13883.8620 263130.3567 7009.9075 32591.5828 12034.1587 339644.4223 28701.8065 30516.1521 16514.4004 34852.9636 29973.3823 3499.5107 7846.2491 37375.5797 6634.6067 4556.5271 3109.9767 13265.2841 13757.5681 16388.9641 9065.1541 10646.5869 37566.9614 5447.6159 17762.1157 7770.6287 6222.5227 5820.4591 14461.7223 67821.7423 3533.7009 212760.5465 157580.6619 27994.3372 2778.6770 8890.2969 10938.3185 72243.5791 26067.8893 19906.4351 17475.1531 27023.6058 75507.9793 9214.5994 36115.8304 12608.0215 13191.2213 27298.1204 41268.6931 62512.9255 2901.3890 TG 44:1 15319.9438 5886.4806 38439.2900 1614.6907 26535.9201 3561.3448 7170.8866 3836.2557 33315.6131 11078.0916 146507.9179 4319.8707 30686.5209 6114.5897 188648.2110 18172.4015 17195.7871 11347.3072 19368.7950 19978.2459 2163.3726 4690.5463 19578.6341 3347.0450 2545.9750 1985.7038 11997.9446 9131.5669 12882.8067 8788.9150 6964.6812 35819.8805 3855.6905 10260.1212 4056.7409 3700.5825 3921.7680 7172.9183 46695.0242 1743.5925 44181.1613 37941.6747 17348.4935 1494.8156 6666.5042 6762.4205 53834.1033 15304.5531 17746.7396 11240.4090 16224.7909 32311.2065 6032.5795 15678.3644 6890.4754 10227.3292 15097.0339 25649.2062 48549.6381 1270.0466 TG 44:2 6584.9262 4055.6935 22636.6325 775.4926 10844.7237 2614.1074 2638.5217 2717.9584 12050.4392 6828.8819 39280.7074 1998.1007 15309.2415 3638.4173 48926.4899 12840.2629 10463.2956 7231.2829 7939.1807 8004.6997 792.1010 3116.7269 6103.5189 1978.9293 1548.0708 949.6844 6375.6925 3273.2842 6939.2381 5686.3923 2090.0587 16237.4644 1883.5157 3572.8605 1526.8678 1587.1549 2998.9047 2376.6536 23555.1752 1141.8880 19440.3694 34279.1255 8159.4083 1585.4972 2591.7847 3664.9289 28363.8767 3879.3348 6592.2845 8461.9054 3728.5810 14668.6599 3051.2036 5744.5421 2089.4012 4917.3135 6664.8593 9360.9174 21343.6916 633.1862 TG 45:0|TG 14:0_15:0_16:0 4547.7690 3492.8380 6609.8307 3297.9873 9874.1116 2901.9605 3851.9812 3294.0168 5037.7712 2736.1465 39323.8312 2356.9074 5213.4059 4875.5186 22358.7955 4418.3256 6166.0704 4360.4795 5107.7108 7100.9710 2970.3788 4112.6280 4592.9917 3078.9263 2386.9001 2227.4417 5074.9286 2985.8682 5045.3346 3161.7168 3363.1624 4835.1645 2590.8191 4350.7701 3136.7871 2766.8393 2612.9070 4979.0843 6271.6548 3214.0922 6880.6727 4487.8846 6686.0735 2295.6778 4044.2565 3620.8561 10835.9264 5577.3457 2532.8016 5331.4580 4122.2449 6590.8583 3341.1209 5044.3433 4946.2387 4226.5924 2998.0201 10622.3286 9295.7252 2728.7019 TG 45:1|TG 14:0_15:0_16:1 1885.9993 1046.1640 2726.6037 639.5057 2326.6143 852.4021 1299.7283 856.7600 2236.8818 1549.6695 13495.5783 926.4106 3450.7984 1630.0976 11408.4690 1990.6266 2115.0405 1460.5532 1989.7349 1995.5910 644.1144 1245.8844 1731.4438 771.5072 658.0271 471.9644 1647.5413 1568.5699 1164.6593 1119.0504 1067.4629 2849.1584 676.7653 1727.9720 728.2968 825.3622 744.7106 989.0236 3953.6082 759.2580 2482.6970 2333.5021 2147.1101 612.8171 1295.2831 899.3606 3742.2101 2948.5297 1123.0417 1693.2528 1607.5857 2715.0219 1131.3849 2343.4820 1384.8694 1838.5599 948.7898 2582.8528 5042.4924 521.7356 TG 46:0 100516.5529 29076.8519 154929.3084 11704.6696 333274.5991 21590.0949 93669.9609 18869.0120 150039.9364 46129.7649 657706.2233 45675.8924 91534.3951 83343.7887 598908.0240 132338.4436 202527.3943 77884.1113 99172.5775 184832.2779 23050.7780 24454.0085 118904.9709 33450.9181 43440.6501 12306.5673 66724.7273 89414.8839 165890.1144 33098.8996 54551.8402 116358.4216 18251.9760 144415.0040 86199.8884 48712.0042 27551.0824 53243.4339 191197.6574 15443.2481 333924.6799 203608.4458 151608.2034 10793.9812 55050.1416 32069.8496 220179.9195 159626.9268 119974.0663 75441.2754 114574.9095 152277.6693 41602.2590 209437.5344 81916.3324 75998.7262 44850.7311 201394.7932 257676.7641 12533.9025 TG 46:1 110760.5437 36210.7747 245849.4122 9429.6464 169349.8530 25618.9220 83338.8708 23037.8258 214762.4148 89015.9185 611213.0683 53829.1162 193252.5081 52536.4211 1014671.4300 146176.1835 153047.3260 64716.1870 143454.5530 143651.6288 20532.8763 22233.7270 149640.2920 23349.4120 27973.1342 18131.2986 68493.4319 143435.7096 67320.3532 51728.1296 91345.6595 236363.0483 23841.4466 140915.7917 34915.6557 40191.5980 27716.3953 26775.5651 311445.4680 8752.4744 412376.5488 325234.5713 113418.5061 9536.8470 44143.1998 52920.4166 226724.2086 235188.4127 144797.9048 54201.5224 190043.1259 213704.0204 52759.6584 208630.1218 74575.8471 100489.8348 105458.5659 128196.7751 318124.3966 7657.0215 TG 46:2 30832.7442 16434.8996 106132.8057 4398.1331 34948.6237 12990.2059 19303.8543 10848.1600 57110.1171 37634.2166 161085.9025 15465.8534 64018.7249 16750.1149 234521.2885 57938.0529 50468.2923 25704.8544 47502.6984 30863.3660 6799.9316 10024.8667 38875.7390 8076.4107 8850.7745 6803.1940 24863.5294 32307.5362 17810.9141 23158.0486 21364.2134 94398.0868 9633.3157 31436.7537 7223.3413 11705.1373 9990.1965 6598.4855 120657.9882 5901.5055 151979.9802 215328.4055 33923.7542 5904.8079 14917.0798 21383.5725 88850.9336 46407.1302 35253.6785 23772.0049 35280.8187 68860.0485 19786.8606 51447.4044 16897.1489 32515.8911 33526.4974 32665.8537 97166.0010 3805.2409 TG 46:3 Isomer A 5679.7160 4740.2802 16979.6576 1282.6867 5035.3248 3974.1573 3446.6808 3298.5261 8723.8391 7941.4284 23150.9865 3297.5081 13072.4948 3315.3526 24143.6562 10592.8743 8757.1457 7012.4205 7854.2168 5159.5006 1592.7192 2567.0325 4859.3677 1867.9530 1562.0383 1285.4315 6035.8784 5092.6158 4265.8502 6448.3989 3093.9599 15309.1506 1548.5809 4285.4073 1551.3574 2057.1529 2827.1718 1523.4959 14229.7857 1956.6649 10297.7700 14820.4100 7341.3223 1929.1330 2768.4696 3529.9560 14860.1758 5941.4343 6241.5201 9602.7263 4362.4847 11254.4995 4230.3187 5898.0829 2475.5388 5947.9626 4382.3200 7113.6200 15494.1462 760.5583 TG 46:4 Isomer A 1244.0124 1223.3370 3063.3053 329.5537 1150.6804 1019.7585 472.0366 907.4892 1477.0383 1569.7672 3762.5474 630.4457 2221.8634 1106.1025 3150.7922 3450.4195 2575.5805 2016.5342 965.2289 1077.2584 330.0421 876.2854 633.2411 557.5449 406.6111 297.3759 1458.1367 778.4668 1440.2192 1524.0133 415.0206 1884.9586 433.4450 677.5639 532.3807 302.2160 1178.8576 333.6706 2204.7758 628.7137 1268.4606 3487.3882 1471.3847 544.0900 733.5470 550.9100 3041.3851 723.9001 1146.8728 5025.2778 526.8810 1650.0077 793.7372 1007.9421 404.5251 1265.8047 826.3026 1426.8800 2201.2847 255.9689 TG 46:5 313.6093 397.7352 491.9530 236.4456 236.0652 448.5152 161.9574 401.3244 340.3194 317.9730 391.7074 226.3658 353.6555 317.1549 352.9201 667.8697 561.2562 369.7715 257.8554 321.2876 143.7280 135.7436 73.3730 135.8350 188.5620 105.5205 441.4798 119.2718 561.7768 302.5476 252.3774 270.0893 288.6350 256.8483 327.9465 182.3717 368.3429 265.7376 346.1052 313.6066 244.9775 660.0703 266.1948 323.5903 315.5958 385.6370 565.2996 202.6279 230.1193 1390.3414 105.5259 328.1671 221.8575 237.5911 266.1349 277.8406 296.4968 273.9856 266.2639 172.6871 TG 47:0|TG 14:0_16:0_17:0 9880.8642 6458.9782 11549.7379 5138.0976 24975.6941 5491.5222 11296.3235 5484.3914 9508.0533 6374.5323 75817.3067 7691.7078 11666.3777 10130.2441 32899.3424 12142.8223 16850.5974 11030.4863 9960.5300 16099.6004 5699.0815 7029.0995 8825.4986 5848.8945 9456.8112 3830.3939 10545.3786 11368.6408 11913.0185 6454.0364 6684.2619 8988.4952 4836.8524 17147.1528 6927.3376 7364.6906 5017.9692 8879.2337 18160.5109 5806.9734 14036.3399 6494.8151 17579.5857 4223.8563 9679.8956 6032.4647 20238.4581 19968.2021 6597.4975 11012.6807 10603.4798 12066.7640 7273.5672 21656.5267 13271.9072 10682.1186 4800.3318 26501.1782 31955.4850 4717.6659 TG 47:1|TG 14:0_15:0_18:1 13855.2755 7048.3494 18479.7748 4090.6313 28065.4028 6877.2335 16896.4677 5441.5534 12640.5583 10418.4592 101252.4146 10220.9235 22889.0914 13958.7574 60182.6804 16304.3859 22752.3953 11378.1951 15850.6987 21393.1139 6460.3076 5940.4626 13227.0824 6330.0877 9190.6516 3332.5290 13188.6867 23291.7502 10294.6749 9579.1093 11633.6629 20047.9895 5136.3236 25077.2277 6567.4483 10221.1526 5988.1795 7375.7181 31811.9291 3425.6641 16174.3254 8340.4391 20710.5441 3527.9939 11528.3853 6256.9606 24736.4359 43381.6127 11453.0889 12184.0106 18775.3738 22690.4082 11916.6647 27290.5459 19558.4982 20709.9924 5382.6321 28422.1557 48260.4971 3032.4353 TG 47:2|TG 14:0_15:0_18:2 3684.2575 2015.1916 5696.7581 986.2109 3357.6152 2437.8253 3273.3295 1251.3205 3648.6415 4036.7492 14912.1936 2847.4793 6365.0895 2814.9964 11005.8787 5265.0631 5422.3199 3058.7779 3948.8433 3181.9497 1158.3413 1804.9867 2724.3722 1490.6336 1673.7788 824.9784 2541.6424 6193.9893 2184.6877 2968.1615 2113.4270 5496.2221 1371.2624 4526.6053 1094.5747 2075.9111 1763.8727 1031.9811 8470.7099 859.7922 3369.6511 4576.9495 4147.9593 972.6801 1909.4155 1335.9568 5302.5835 8626.3873 2369.7073 3285.1719 3062.4957 6116.9525 3670.8136 6733.9535 3542.0140 5706.5983 1547.6161 3948.9326 11907.5265 640.5346 TG 48:0 167940.8112 59549.3927 209459.4414 38042.0139 779784.7154 54434.3517 228452.6797 57399.5390 173899.7191 74842.7945 544423.7192 121100.9834 122397.3894 162881.7180 326451.0925 222533.3025 344948.7293 177657.9884 157337.2517 437247.4841 102704.8380 53364.7080 158211.3776 74522.8002 157431.4240 29933.2861 131721.1379 131338.6380 563427.1603 62627.3613 108029.6744 151395.4209 43275.5454 313805.9693 304090.5311 133335.6031 60055.1323 102472.8308 213346.6730 68202.6773 613119.6412 279028.6575 310975.0604 40016.3849 122088.0492 79058.3426 303419.3694 181355.6925 222126.1761 150796.4717 200910.7946 198604.2591 80322.1383 379100.7327 186789.9481 146851.9681 59831.1105 315346.6271 341462.2081 60315.5785 TG 48:1 622695.1198 286465.7478 873030.3596 132900.8022 1267397.6190 282861.3713 813174.1491 225986.2361 669904.3285 470628.6837 2308556.7790 499337.9964 805353.5602 535716.0695 2153381.2040 963984.7358 1225192.9460 476360.9806 680313.4884 1077582.2220 394294.8902 162020.0704 646671.5400 285689.3780 514986.8819 170651.5787 522682.8336 1137767.0600 889726.6393 334314.2017 726304.7392 886235.5940 201189.4193 1403115.0780 504752.2696 569083.0985 301697.6737 225615.2549 1338003.1720 114934.5582 1037720.8580 559411.1024 927723.1682 117427.9775 509900.4436 243949.8438 894043.8996 1644377.6170 1113895.0000 412894.3488 1048925.7340 828551.5063 455187.0683 1460794.7040 900121.5709 849041.3939 305701.8129 829654.5013 1721302.2890 124824.6377 TG 48:2 363852.7904 186997.0012 633819.8877 74019.7230 413957.2794 219326.1771 379494.6168 105035.3957 458483.3103 372777.7107 1014714.8330 310113.0642 542654.1767 270943.8932 1121504.9190 637259.4402 718517.2191 311506.4401 422919.4423 444732.4539 191338.1721 81302.3544 339380.5360 140393.0007 202576.8919 91306.8828 257017.8394 669311.5666 248235.3340 225374.5015 354455.6317 629241.8811 124553.3834 685496.6980 155261.3773 274615.3177 170568.4205 70972.9300 779635.9676 80098.7199 580144.5065 479130.9125 482735.0913 97940.0114 208856.1770 137200.0090 478250.7844 926909.1945 587236.1127 221138.3759 473377.1156 566216.5926 331005.2046 846296.1366 417139.8942 485113.6257 202082.4993 303028.0507 915890.7433 59098.1953 TG 48:3 51884.5274 46231.2906 185314.9292 17270.3295 40464.8626 50590.7324 43685.3571 27145.7647 117199.5519 105628.0315 166859.4542 54071.6992 122201.0716 32335.0301 302123.7872 105501.7677 94817.8595 57686.1163 115404.6256 45271.4818 30743.9525 18283.7226 63360.7952 20891.9530 23480.2371 20552.5143 49298.1131 109783.0200 27253.0279 58191.5619 52473.9330 179287.3315 24911.2677 89298.4980 16204.6037 35048.7159 21306.9087 9783.3411 184599.9200 20166.8533 127096.8496 230147.8259 78820.0016 25682.9553 27659.1076 46631.7787 111385.9976 125943.1164 78186.9364 41323.4307 64227.0910 145582.8574 63331.9196 121604.2796 43008.3730 81063.4971 72225.6489 41269.4627 156759.5554 10709.0525 TG 48:4 Isomer A 9916.4819 9822.8536 40975.7106 3361.6928 4394.1059 10223.2463 4505.5077 7620.6549 22766.5828 22529.4246 24869.4681 7346.4155 18339.7640 6360.8281 50367.5803 19781.4913 16984.8857 11259.9388 21822.8673 5040.0915 3221.6366 5480.8160 10966.8743 3450.9188 3506.6325 3909.0546 11124.7338 10724.5730 4724.1018 12798.1410 6073.8825 36735.9175 5126.4725 8675.7634 2330.7627 4797.9391 4188.9972 1620.4002 34293.5891 6072.5636 26683.1827 100613.7212 10627.3173 5585.9903 4208.7562 10500.3450 23747.4669 9879.5793 8315.5726 13435.9716 6528.3847 25206.6954 9328.6218 13423.5654 3733.6312 12501.2763 20335.7922 5171.8626 18661.3525 2222.8877 TG 48:5 1990.2462 1725.9296 5571.5866 835.5228 989.2777 1893.3591 763.3971 1364.0521 3190.8205 2377.9783 3053.8804 1110.2061 2802.3120 1439.0167 4851.3443 3245.5869 2895.8064 1876.2152 2413.5662 937.2320 669.6660 1685.3711 1592.6731 803.4684 782.1831 678.2090 2477.5791 1286.3902 1217.9444 1849.1110 856.2137 4899.3815 709.2737 1112.0885 636.7273 951.4593 1210.9572 507.4990 4811.7202 1341.4559 3396.7633 16519.5716 1704.4271 1200.8161 946.7874 1176.1929 3350.2853 1217.9058 1219.8556 3813.6324 921.2933 3011.5952 1463.7292 1735.2753 800.3403 2177.7118 4082.9068 754.2300 1994.1199 759.3335 TG 49:0 14965.5045 8405.4701 17057.2833 5684.4952 37926.3386 7359.2200 19744.1505 7268.9323 13768.5734 9379.8433 102183.1690 16453.0786 20897.5647 12314.8704 46454.7421 20144.2758 26422.9418 20704.5555 16947.3252 23062.2631 7771.9588 8765.5424 14480.8040 8686.3364 20273.9071 5049.6352 13926.8075 18252.6613 20367.0749 9006.8996 10915.7895 12239.9544 6133.2471 33293.6101 12245.8208 12428.3714 7427.8463 12393.7639 38241.4765 6192.6044 21614.1817 9465.6265 35298.6068 5122.0820 15080.3611 7262.3714 29626.3385 30656.6889 11456.0678 17287.7403 20501.9568 16470.5213 11136.1859 42855.0784 27096.4073 22047.9736 5780.2295 52932.3208 63020.6699 6215.5125 TG 49:1 55922.3555 33247.0450 59355.5423 19228.0500 99185.7971 36768.2072 89446.0475 29322.6115 52207.2551 56797.2910 347118.1770 74614.9042 118838.8642 49908.5658 189770.3662 90015.2697 113619.9411 69299.0589 78738.7704 80793.5178 41449.0272 29659.3053 62162.9008 29197.4187 102465.2125 22663.8834 53090.3828 160503.2163 47909.3647 45825.6319 66888.4209 66345.6336 34939.6095 185485.8689 34120.2789 69845.2377 38879.8320 39119.3783 178351.1482 14335.8718 65796.3113 34553.2477 108172.6150 16282.6080 73342.5123 22004.7235 85960.9462 241240.5171 68366.2795 56547.4511 102708.8613 101569.7435 58151.4144 182963.0046 118966.1862 103239.5257 24349.6784 141969.9378 236846.5361 18800.8537 TG 49:2 40909.9399 35551.4985 60156.0576 20709.2040 57490.1017 45999.5877 64979.0897 25202.2722 50241.0621 59004.4396 171542.6937 60659.2825 93054.6174 39537.9931 101530.5379 80489.8329 89038.2982 58572.1559 73786.1681 61049.7946 42102.7234 23076.4126 46488.1901 24665.1469 59552.2256 20107.4096 37485.3950 130545.0440 29206.3063 45477.9840 55572.5666 63621.1317 34121.9745 134730.2597 21621.0449 56765.5388 29813.3014 23578.7212 121648.2495 14626.9707 45644.2484 31342.9505 84184.8516 21293.0084 47775.5977 18718.5452 54741.2687 180288.5546 61138.7467 47975.4951 72324.8924 115172.3701 65591.1538 129856.4335 99770.5993 87223.3326 22387.9389 75767.7874 153950.7569 16347.7165 TG 49:3 6321.7029 6068.4746 9647.9076 2896.1523 4574.1742 9222.4549 6746.8676 3208.3408 9695.1855 11512.3436 17506.0873 8894.4874 12057.5958 4501.2363 11648.9775 12059.8795 11479.0660 9225.7544 10825.9758 5869.9413 5156.1091 3812.9169 5883.3999 3602.7344 5735.2336 2746.4107 5467.6646 19452.3612 3577.7116 7074.1651 6177.6377 10575.9779 4803.3590 14860.3748 2555.4274 7219.8354 4319.8030 2058.9672 16039.8300 3137.5662 5702.2631 7104.4153 11032.9476 4170.4018 5081.2141 2563.1089 6612.6622 21279.6696 7309.4523 7026.8900 6613.7035 17697.5808 12199.5109 19647.2606 8349.8626 13237.0107 3579.3483 6628.7578 20313.5870 1991.4135 TG 50:0|TG 16:0_16:0_18:0 179315.0115 60912.5397 209895.1158 31687.3853 540176.3804 41430.7573 260987.3936 49885.9791 195063.0583 82866.7666 591878.5339 199488.4260 176790.8743 112619.5539 314275.3491 223459.3766 273289.5734 275816.8732 197859.0827 291803.0019 80868.8279 45894.7778 198789.8493 67218.7845 218180.2035 36505.2943 101502.7510 191280.0005 410760.8770 64162.6496 123337.7652 110457.0656 31241.5353 342680.6847 340824.7993 152251.1966 58773.5560 106309.0434 385061.7548 54270.4427 359076.0270 165725.1581 521554.6855 32233.9894 113875.2475 73773.7382 329711.2949 249888.2899 217079.1910 187815.9459 301616.1610 178781.7456 68477.0691 449719.5538 238363.0271 271763.0632 47152.7128 496084.7547 539540.3340 52196.8332 TG 50:1 1402574.5130 1003993.2640 1600402.8340 872064.0419 2831163.5200 989221.5301 2024886.3350 1224680.9470 1441712.1150 1149330.1120 3252846.9300 1544508.8530 1796316.7020 1308196.1850 2715313.6580 2103529.7560 2747822.3930 1511467.8520 1681537.4320 2510776.5340 1936295.1590 884299.6872 1632718.0330 843850.4136 2278582.4530 918129.0151 1348850.3000 1940681.1020 3069708.5400 970297.5270 1977439.4780 1428052.6020 1001201.8580 3603765.1690 1902498.6270 2092536.1020 1016959.3070 1175207.7430 2138557.0500 860564.9456 2835431.6690 1609430.6220 2551968.0670 526792.6743 1698905.7600 1136906.1240 1776066.3310 2272493.0270 2591118.5590 1424961.5540 2441242.4050 1796716.6950 1181857.0070 3217987.9270 2545458.6980 1696852.6830 926281.2858 2328143.9740 2685002.3420 1255915.6460 TG 50:2 1461218.5800 1482534.9710 2357264.3510 1196806.7560 2220886.7660 1676968.3070 2405966.3440 1436333.3620 2031609.1860 1953708.3770 3265248.6030 2187187.7680 3068784.6260 1549552.0820 2721452.5070 3079796.5140 3163096.0040 1957038.9580 2489611.8590 2697852.6710 2729719.5230 800106.3973 1996939.3250 1198256.3120 2437469.6060 1190812.1960 1392198.8810 3784949.2640 2262602.6800 1277753.5790 2862759.7330 2010551.0970 1297778.7360 4739775.5520 1440754.2000 2451033.0270 1274052.1860 1007906.9150 3034266.9720 1092879.8930 2555769.9910 1807645.6900 3004706.9970 1169794.3740 1714499.1170 1035778.3260 1775216.5500 4228798.3510 3856286.8270 1526831.3010 3192205.7180 2913934.9540 1861924.4950 4031560.0280 4028908.3640 2277969.5610 1188799.5550 2035876.7840 3331168.9900 1344831.1550 TG 50:3 Isomer A 684685.5108 854330.3384 1332125.4080 543781.9947 557498.0734 1096409.9750 873934.2085 541052.9672 1276642.4220 1409228.8590 1550804.8870 1143378.4850 1557948.6720 659251.8602 1295688.6340 1725553.0380 1564694.3920 1168110.7610 1402031.0490 943344.1477 1216835.3550 326347.7821 918452.3936 578384.4674 892993.1692 545802.8326 651305.2568 2197934.7100 531765.1737 762213.3412 1183491.9900 1264104.6410 688064.4251 2356919.7010 430315.8651 1150471.5980 595535.7615 321053.0313 1711519.8870 563935.1420 1083786.3130 831953.8512 1502188.2240 724283.9670 645089.9830 404876.1700 759092.3566 2387364.3210 1776765.8840 667512.0584 1140379.9980 1781019.7100 1271105.5950 2576397.3580 1243277.8890 1269876.0460 546765.3787 745221.5352 1782441.9530 508158.2589 TG 50:4 83639.8562 98915.5332 171529.5703 45358.3512 38743.2339 149676.8947 58991.5499 45710.4014 184124.9673 247013.3061 243820.9778 127691.2695 147522.5188 67295.9454 147791.8275 245571.9205 219843.6966 150480.2257 180864.3359 55711.6101 90045.0625 46207.9289 75159.4962 56655.6170 88122.8608 50928.9864 81375.7288 242878.7355 43430.3742 113995.6283 85784.9443 180512.1769 64664.0872 198583.2888 26787.2672 105254.5285 49162.9372 21165.1041 226816.1715 81923.3400 101685.0324 176000.2861 144877.2766 101386.8690 59346.6310 49862.8660 99479.2986 205492.4686 146563.6421 98685.9095 77200.7867 204851.6630 159721.4908 324119.2436 58949.3716 182182.7418 61933.8075 63355.3171 230977.9265 37315.1203 TG 50:5 12363.6767 10518.2875 18425.4368 5037.6388 4286.5041 15990.3488 5935.4530 5583.5952 19036.9958 19969.1322 21671.1231 11485.1935 13469.3827 7235.4665 12469.8435 21974.0655 23268.8888 15948.7118 15497.0119 5316.7081 6546.5444 6535.8529 7704.1674 5893.2851 7454.0189 4470.2318 12251.4125 16462.4203 6618.0053 10740.4412 7293.7066 18783.4807 5867.2695 13314.6822 4352.7446 9080.0268 6289.1132 1986.0392 16503.2105 10895.2025 8846.3025 21663.5681 13465.7540 11077.4807 5439.4580 6060.0102 11740.6499 14166.8430 12220.8979 17467.5258 6186.3611 17370.4329 14658.5052 25083.3976 5921.7442 23280.4063 8926.0119 4749.3399 15795.3612 4023.2431 TG 50:6 2162.2535 1688.5666 3759.9962 688.5100 1130.9168 1873.2763 1294.8452 1896.1452 2974.9658 2380.8494 2055.5655 1232.5112 2372.1139 1264.6800 2918.1264 1629.2846 1434.9908 2430.4312 2927.3012 918.3327 699.4763 1180.0286 1486.6012 896.6884 682.8583 888.2907 1314.6906 1405.6620 1257.5276 1086.1648 1048.7683 3560.2676 1082.6275 1600.9287 942.3138 1300.5708 1193.3024 469.5364 3562.3091 1655.0624 2755.7549 8978.7380 1706.3772 1238.0433 593.4176 1783.5712 2546.9006 1256.3998 994.2047 971.9314 1017.0898 2677.3133 1933.0771 2470.5502 984.2154 3522.6777 3692.1143 681.1158 3842.7160 714.0185 TG 51:0|TG 16:0_17:0_18:0 9312.7189 5145.2469 10379.5301 3724.3244 15348.6274 4093.5382 10908.1141 4198.1241 10099.9131 6032.1551 58161.7237 13994.8134 15028.5851 5842.7426 30330.8684 10617.3965 11812.2042 18487.6916 12180.4577 8955.6765 4094.6511 5307.4405 12265.2578 4164.7183 12550.6248 3169.4519 7385.3860 9815.1981 10810.7788 5588.6750 6000.9735 6858.9452 3288.2716 15273.7256 7416.0631 6447.6215 3954.6701 8079.0238 28373.1882 4295.9599 9278.1601 5815.9422 31191.6005 3458.3122 7864.3059 5160.6496 19079.7771 12626.5503 5143.0543 12932.5721 12626.4333 8699.4846 5348.4452 20540.7090 16181.9717 21507.0380 3349.9278 43071.9184 44455.9095 4058.7603 TG 51:1 67728.3115 40978.7758 66464.1183 20591.5938 83983.2007 42487.3342 100793.6439 38855.1714 61782.3279 68881.6988 363841.5682 125320.1720 167235.7984 45072.4454 283068.7160 103030.7943 113012.2005 92823.2322 105085.4690 67332.0836 46995.8635 39661.3241 81760.6757 36060.1927 165150.8264 39475.2165 59736.2553 169275.2223 58274.0713 55865.1397 86758.9341 67134.1809 37229.9724 224341.7627 46922.9700 87434.2074 49589.0594 50285.3544 247539.0049 16558.0969 75920.7573 43431.0454 148534.7743 19377.2199 94491.0859 32921.0056 83751.0277 249617.7630 77460.0872 68821.8993 141493.7378 105194.8685 65734.3447 220622.1844 169537.6301 128675.9133 31381.9993 202189.0436 321482.8808 25599.3140 TG 51:2 133164.9298 155467.4490 183117.1507 91112.4119 125248.4889 177243.8455 241659.9375 138667.7355 177165.3925 236004.1206 480375.6033 289399.5781 432217.9960 113481.3880 390259.0466 282866.5985 259823.7295 239144.1907 320493.5395 136412.3496 187859.9544 105056.1409 204434.7868 113190.4918 344858.1738 145521.3936 142315.2603 551733.4059 98682.4210 171166.7967 276184.0557 196646.7052 148829.2602 535254.2766 117000.2413 268219.8024 148708.5963 118855.6564 507819.8292 63506.0813 151930.5974 121080.8500 321159.6947 115199.1177 219242.8123 86881.2649 167624.1504 715623.3864 239278.6270 168660.6153 337729.2121 368033.2434 221130.9401 475742.7266 414618.8706 320055.3353 116153.8375 288983.9809 566602.0277 87060.0409 TG 51:3 68575.3172 116330.3076 113571.2911 67805.9817 46960.4975 150066.2773 102356.2477 81240.0137 143966.4106 208207.6858 255548.4823 179893.9304 227101.3750 76098.4726 191140.2191 192959.5150 171777.9594 188603.7538 210990.9380 63462.0286 119475.2345 68902.6466 112578.1427 68208.6930 183456.0841 99347.5444 76438.6755 319206.8826 38487.0424 130360.4489 133941.3545 127501.9647 130967.3847 300830.0690 44388.8379 175776.1048 80590.0457 66459.3861 284942.3920 64052.2669 85054.6421 94986.7947 182121.1534 97373.0124 113608.3924 55968.3263 90242.8160 329211.4901 111725.5188 100897.8163 138895.2566 256430.9641 181025.1143 320348.8915 143993.5153 206952.4671 74434.3071 145211.5874 296837.8977 63427.6213 TG 51:4 12412.3253 19033.4361 16389.7021 10120.6066 6095.9711 29001.7532 11037.5173 10041.0019 26362.1310 40469.4156 39246.2084 25132.0117 22771.4425 12120.8346 23569.1807 33384.1064 29761.2109 33462.1129 28513.2769 7624.1371 14309.9860 12460.1876 13167.2674 9650.4984 23834.0818 13362.7316 14273.5850 43231.0895 6511.4351 24467.8356 13085.3003 19555.9738 19636.0448 32626.1729 5226.9137 21455.2498 10267.8580 7948.1530 36933.7138 14163.3131 11985.5005 21275.6407 22400.3451 17123.5611 16676.6178 8530.8417 14788.1398 34011.0090 12585.0672 18444.9053 11301.7467 37618.9520 29584.8304 52716.1011 11023.7928 31239.2211 11076.3428 16775.4598 37646.1617 9240.5994 TG 51:5 1916.4046 1592.1460 1796.0653 923.7305 827.8750 1882.2020 1608.1798 1194.9548 2021.8975 2242.3194 2478.1783 1663.6198 1703.7830 1284.3790 1511.6744 2041.1135 2065.1128 2685.4764 2164.6024 835.0041 1022.0658 1283.5162 1190.7166 1099.9970 1182.5864 909.3948 1797.9508 2122.4566 1065.7013 1611.3950 965.5772 1853.7945 1255.0204 2118.3077 978.5157 1612.1659 1288.7987 805.2050 3379.2452 1465.9982 904.3834 2827.3178 2011.5750 1605.5427 1329.4016 1103.1973 1461.4765 1747.1976 1003.1413 1513.4672 1000.6248 2282.9013 2170.8447 3093.3168 1329.7069 3511.8125 1677.8803 1053.6131 4270.3906 794.8508 TG 52:0 134651.3162 58939.7732 175385.6283 31525.6712 188452.4654 33611.8649 233770.4158 37686.3929 219469.4409 68969.4105 445567.5478 184851.1391 141192.1570 73416.6419 296494.0580 126758.9192 113853.2239 310050.2994 165823.7577 113082.0605 51623.0535 40743.2409 251041.8093 31353.0223 130302.5510 33449.0371 61683.2230 109307.7945 154197.8483 46404.4186 70530.1332 69135.2968 25709.3976 152223.5592 165874.9189 71166.6510 33126.7821 75443.5163 303364.3410 49225.7284 137978.4989 83487.5182 659221.2995 24365.8758 68670.7198 72895.3122 277481.5193 115522.4833 82278.4424 183466.2258 327770.8622 103751.7487 43441.6433 217761.8259 137009.1669 349064.0704 38460.9819 601690.0335 386251.1064 46530.0004 TG 52:1 1067938.6400 463762.8318 904651.1997 274020.8454 1032286.6000 335776.1266 1267226.9430 531695.1187 1208404.4700 694038.7784 2845512.1830 1529832.2390 1365461.5900 573621.0101 3652408.0220 1109242.7790 1094416.8160 1301081.1160 1144199.3400 790212.8172 656925.3465 384386.9084 1104141.9680 385624.8614 1675062.2190 517405.3494 538566.3575 1553936.1150 1257317.4780 511935.9744 1136278.7230 658101.7690 276939.8481 2039945.9360 1099335.2640 945532.6936 425094.9368 600562.0781 2261476.4500 328230.5425 1256154.6190 709513.2761 2452315.6370 217958.6207 937967.7515 675301.3721 1000427.6670 1860259.7100 1187040.9090 921435.6868 2302602.3560 799953.0718 416281.5712 2166845.2570 1463638.5820 1303452.0780 366425.3302 2294155.9090 2592299.9160 406472.4740 TG 52:2 4080314.7730 5896407.1200 5378357.7260 5324954.5410 3647378.0310 5199034.5350 5288776.7090 6349799.0570 5412713.5110 5298752.2770 6014646.5660 5970384.3010 6670674.0220 4294814.7490 5787464.8290 6129864.1730 5555056.1620 5888520.8440 7218134.9050 4233517.9630 7251053.3380 3818752.4860 5345033.2910 4687316.3340 6791545.4760 6290581.1810 4722957.8340 5911064.8840 5082967.5560 4826527.4550 7826481.7850 4783897.5510 4939317.8640 8409218.3860 5161978.1570 7592892.8650 4904661.6330 5182600.3310 5568393.0730 4268755.6500 5604341.7760 4916699.7300 7214333.7540 5027760.6610 6283848.5190 6005252.5320 5893453.4140 5662753.6010 6315560.4420 5124269.9360 6940780.5380 6939986.2910 4978040.3810 6199259.6870 8485252.6560 6236239.3330 5133215.1150 5941280.3150 5961643.1470 5293205.1750 TG 52:3 4269019.8200 7089736.7920 6092489.1910 6323855.1060 3257352.2690 7445081.6390 5110315.1440 6327433.1120 6764841.5560 6645268.6870 6792528.6250 6476909.2430 7147050.7560 4967738.7460 6086699.2470 7239954.4110 7277027.1000 7524945.8640 8026193.5250 4032815.4530 8828206.2820 4464392.0710 5963482.5360 4909424.2870 7611659.0440 7513982.9010 5061223.2760 6336219.4700 4328862.0690 6137804.6270 7631433.3210 5721131.8530 6734778.1790 9223233.1140 4202351.3010 8570903.3540 4774983.2820 5194723.3620 5925574.1950 6956665.5820 6506755.6490 6709136.0920 8078444.1540 6288347.4220 7014391.8500 6349656.6860 6128705.9540 5841149.0020 6535080.8330 5468428.4650 6487702.5600 8226889.3420 6545211.7180 7099115.0760 7283319.5550 6782553.1790 5519268.5340 6384454.2990 6280288.6330 7282329.6220 TG 52:4 1741141.3600 3029261.9890 2539047.3100 2332322.6470 979559.5247 4089329.7660 1891692.2640 2171319.5950 3766458.1370 4808839.9330 4093616.3580 3404032.4340 3728359.1390 2081140.2130 3002684.7320 4836946.4220 4248954.5240 4329446.0170 3791504.1140 1284833.3290 3938316.6020 1764231.3870 2391331.2850 1764760.9890 4067394.8930 3132489.0360 1802390.7120 4484189.3310 1052897.6930 2840056.9710 2714565.5990 2541260.4480 3276743.9130 5536039.2120 1138419.4610 3758847.6390 1602427.8330 1572184.8160 3750453.5640 3688443.9430 2596804.2080 3581358.6180 3539865.8970 3043248.8410 2373580.1070 2007377.0120 2028329.1390 3823237.3180 2856271.0840 2208841.7000 2268527.2270 3883759.3220 3415214.2700 5957565.3580 1897210.1310 3175773.5380 2057605.1780 2421599.2240 3675321.7980 3214037.2400 TG 52:5 205246.4162 193283.6275 205179.3529 91886.6794 43108.7924 341382.5669 130693.9054 96238.9505 360876.0579 445821.0510 344319.4455 268503.6480 263489.6157 124309.9640 201809.5165 438047.4824 359945.9762 380951.9955 255614.7449 65352.8146 158734.2728 147070.8021 155162.4095 120462.5463 225322.2803 121450.2506 129594.5144 431669.7368 76081.9406 176897.3496 132877.6306 198952.8520 170243.4146 340679.2936 83641.2667 232843.8596 135624.8014 45471.1074 314456.2971 236303.3029 138144.0765 448570.7441 232191.1365 258868.4586 100069.4547 72714.6137 121369.7013 300538.8435 205057.1341 214305.4363 102327.1719 254394.6976 285091.3086 768871.8863 109207.2601 332369.5736 159300.4410 84824.7040 295770.9356 120178.0063 TG 52:6 14158.4601 10378.4776 15350.4876 4001.1986 4860.7464 10501.0580 11009.8461 6761.6402 14004.4469 14213.3193 10714.8150 10277.0082 11516.8360 8714.8663 9140.6306 10780.3971 8787.2745 20570.4140 17131.0842 6261.6716 5627.7499 7459.1782 7679.4439 7028.7945 3182.2748 5513.9254 7746.0903 13263.6083 10743.7919 5483.4411 7438.5899 12545.9297 6055.4240 14969.0060 6222.4656 11805.1812 10385.0215 3402.6406 21915.6091 7718.6230 8053.2725 30369.1736 11331.3198 7029.2605 3330.2058 7941.3680 7510.0601 10073.1183 6299.6085 5183.2712 6225.2784 10840.7237 13262.8359 25882.2066 8301.4744 20782.1689 12065.9617 4533.8456 32233.8230 3927.7140 TG 53:0 3816.3035 3629.0322 5298.9262 3411.9222 5194.5315 2977.8287 3986.2675 3313.1812 5356.3310 3284.5242 18258.5968 6307.1599 6156.7233 3932.9183 11624.7960 4638.3042 4450.4515 8828.6251 5633.3012 4055.6114 2955.4736 3323.7023 7377.1789 2277.2335 4420.7314 2320.4916 4120.9423 2803.7605 5974.0172 3217.1525 3279.9713 3228.7944 2494.2791 4590.1269 3882.1201 2906.4840 2073.6338 4017.0341 9874.0091 3745.2728 3550.7215 3654.6324 14060.5483 2456.0412 4056.4417 4386.6210 8568.6233 3315.8261 2093.4152 7401.7156 5416.9951 4475.0980 3031.7579 5178.0297 6719.1812 9999.1584 2776.3766 18819.5769 14119.6143 2943.0299 TG 53:1 22351.3940 11306.5263 20066.2506 5914.8152 16522.3654 8824.1466 23714.9547 9814.4114 24350.6781 17301.8918 143523.7543 54383.2057 58767.0477 12255.7732 161121.7503 24348.3926 23540.9086 36712.3954 30377.5419 12433.1421 8484.2109 12374.1718 30482.5032 8613.5359 43605.1569 11124.7378 14021.5098 37601.4596 17690.6421 14857.7199 18237.5380 17280.9911 7049.3923 42039.3393 14924.7605 16143.5436 9681.2379 14905.2843 87660.1483 5931.5157 16580.0391 12994.5783 61026.8750 6245.5800 22429.2345 12281.1617 25040.4523 45672.5374 13868.9690 23494.1546 38927.8229 19296.6308 11507.4215 47154.8814 38639.8890 41481.2961 7421.1691 94077.8742 111027.6125 6978.5203 TG 53:2 84273.1558 106705.1163 102717.2737 65140.1495 51060.3455 96299.1199 133218.4872 105568.6161 110461.9246 147833.0196 313935.8870 233851.4332 295145.6770 69665.7429 328603.9052 170958.0423 125742.9021 153265.4257 214659.2031 53234.0876 89763.9944 84345.1615 118804.4817 102887.4528 252001.0877 124702.2003 88875.3146 292070.5070 60215.1702 120117.0503 175751.8755 112433.6279 82766.3276 274280.7970 84890.2319 165793.5986 114350.7948 91433.7295 382569.2254 48861.1045 86559.3657 89786.3904 191128.8750 115136.1178 149079.4097 84001.3828 111202.8552 372446.6119 122903.8050 101025.3005 221174.7569 191119.6041 116164.0573 234683.0763 235782.0021 222109.5273 91019.6577 222668.6960 380071.7496 61698.3004 TG 53:3 89567.1585 141910.7058 123157.0981 86093.1497 40915.0334 155303.4178 128999.4569 112495.9718 155298.7847 231426.8892 281180.5220 243837.2065 300885.6681 83036.4832 258192.4239 225926.0226 180475.7084 207623.5987 254786.8413 47332.3612 118118.8680 101158.5523 131549.8543 113522.5329 268725.6836 159123.9445 100764.6302 331261.4818 54070.6408 161967.2813 168813.3667 147730.3285 123292.4524 295922.3340 78378.1512 190347.0832 111237.9366 86781.3227 363099.8076 87191.6303 100679.9468 131261.9650 212076.3618 168470.2978 157312.9261 97822.3379 113085.5593 340529.2461 138803.6326 111910.4969 181779.9258 250681.9256 169446.0973 299270.1281 179663.3384 236598.3730 102255.4284 183347.9173 359010.8443 87655.2605 TG 53:4 34641.2292 56133.6913 49077.8959 31834.3982 14946.7676 73698.1922 42803.1370 37724.4962 73831.0264 113708.7077 99215.5361 89411.7959 102234.0673 31165.8906 81976.1501 101030.0703 82140.5288 94299.6707 92205.5414 17674.2532 46015.3191 33040.7994 45806.2995 37224.1121 79231.7356 52412.0290 34265.5171 126407.1845 20345.7609 60696.5060 50807.3075 59281.7605 47586.3532 100982.7922 21731.7801 66844.9626 33894.7649 22615.6720 121789.5520 43322.7223 35167.3446 55069.8570 75210.2824 71503.9210 44990.0688 33722.5797 34367.2852 108785.5074 48794.9696 39083.1941 48807.5897 95738.1537 73977.5441 140614.8755 42138.3537 85166.6910 35400.7461 48947.9855 116898.7641 32836.2771 TG 53:5 7422.3759 9693.8910 8715.4286 4742.3881 3141.3136 12815.0395 7349.9350 5182.2708 12713.6704 15756.5289 14795.0408 11694.6664 11511.8749 5841.7577 9550.4100 14230.8165 12502.5837 15354.7829 12486.7228 3522.9956 5526.6079 5862.5109 6959.2717 5956.3196 7528.5125 6396.4604 6879.8429 14445.8538 4523.1409 8616.9702 6143.0526 10798.8487 6834.6400 12481.5365 4368.7160 9379.1164 6728.8776 3250.7906 14963.7576 8341.3346 5056.4133 10332.5255 11167.5076 9966.3917 5734.3390 5295.6226 5882.5345 11169.6612 7246.8956 7337.4287 5720.8497 13949.1384 12037.7582 19689.6166 5992.3909 16764.3450 6821.3707 5797.5656 15025.1658 4355.1453 TG 54:0 47056.1606 28610.4170 60415.1335 20580.5678 32819.6453 17907.1378 69318.5708 19641.2233 86125.1726 23825.7207 89131.0465 57263.7952 42943.2694 32746.7405 98667.3102 34187.5695 28950.3162 100758.7577 52455.3008 25382.5779 23435.1173 19490.6310 108948.5707 13199.9642 26516.6285 18294.3757 26440.0440 20376.2815 39068.6109 18466.6811 22164.3432 25937.0687 14481.0043 27051.0007 30612.9549 18885.3719 12591.0662 23645.6552 87442.1878 28523.1930 35163.4714 31674.4701 228319.1228 15516.1094 25013.7081 57335.9605 63025.4108 20657.8853 16200.6955 60612.7832 107624.4213 31564.1678 17752.1357 37943.7596 32348.4592 114061.3408 19445.3296 206769.0666 113387.1304 21772.0524 TG 54:1 386180.7288 126888.3687 315175.0089 33270.2232 128349.1773 51382.8861 515740.6489 79040.6205 762068.2116 169420.0097 1017986.4880 609212.5866 422968.3821 167943.3927 2939542.0970 228127.9730 191638.8525 666882.4276 294889.7807 117438.3421 118160.3894 67076.1559 587006.5120 45846.5261 322214.4381 122411.4464 83204.3186 261007.4704 199340.9568 109521.3058 154170.8044 192799.3497 34369.2352 281089.5773 180074.5769 108958.2374 52732.4122 120012.5142 666613.4602 74971.4775 201310.5107 151013.6052 1566705.8590 37709.2526 153717.0838 349884.3317 319446.7729 289719.3703 163079.3552 368132.1113 1248168.3210 124408.9480 63061.4479 378030.5801 250060.3832 393572.8981 63654.4610 1404103.7500 709920.0205 74386.5191 TG 54:2 1176655.0770 656743.9395 832048.8270 408701.7277 365915.2741 374637.4048 1047156.1680 799549.8639 1455628.6530 1060607.7620 2133470.0310 1852232.5750 1651539.0880 633774.0746 3368027.6190 1003376.0630 752627.3045 1379455.0200 1173686.7370 420918.5153 603233.8873 462412.6004 884273.3256 521238.7791 1530811.5120 892665.9608 520734.4732 1577174.9200 659978.1786 730128.2580 1129414.9930 815057.6290 345612.3167 1352829.8970 726831.6836 729065.8134 548414.3585 549299.6883 1871617.2770 428935.7652 784185.5966 751985.3887 1569205.9450 677001.5947 893512.6115 1389728.3740 1053741.6460 1727858.6990 989763.1470 989952.4955 1510835.7040 673659.7112 433137.4379 1271839.6390 1177737.0810 1050207.3250 613097.0601 1763896.0710 1665412.9170 461224.0971 TG 54:3 1922999.9950 1818190.9180 1596422.5740 1531493.6610 592256.7470 1303036.0310 1758518.5390 1976341.3080 2260706.7930 2558048.6360 2653082.4990 2818620.6930 2518436.4940 1334135.9130 2842558.3470 2298029.1220 1589990.5170 2205157.3880 2226490.6560 798463.2074 1550191.7000 1129397.5310 1473488.2060 1851554.2160 2537953.7540 2332409.6340 1396890.8220 2429433.1690 1242493.5720 1848397.8890 2182942.9090 1787419.5900 1115007.7750 2163830.5710 1406686.0940 1633726.4020 1352357.5430 1098231.7400 2439489.5020 1538084.1870 1493715.0230 1744096.8480 2028173.6390 3578779.4090 1771787.6730 3979312.6060 2362185.5570 2243337.0680 1893485.5130 1810368.3300 2042847.7870 1781103.2800 1174247.5600 2094278.0570 1872469.2590 1723514.5190 1603744.3990 1932842.8140 2106657.3760 1429175.9670 TG 54:4 2019329.3000 2130513.0680 1835416.6640 1971114.6320 568342.7971 1862988.3230 2261529.6630 2104742.5780 2683907.4270 3527373.0380 2428734.7710 2668507.7200 2375991.3050 1500245.3230 2246229.2540 2842790.0580 2008241.7120 2542194.8280 2283352.2220 752275.9700 1725917.8170 1282826.7780 1592593.3580 1961885.0710 2458160.9880 2586896.2850 1550762.5470 2445287.5930 1193133.3310 2185175.6930 1996395.8240 2118564.1380 1452828.9180 2161309.9600 1166098.9980 1801958.5710 1365536.8340 1051634.7440 2197235.3230 2295101.9440 1642018.4040 2202098.5820 2060317.8860 4272298.4300 1665355.1250 4267240.2190 2202396.2400 2051494.9820 1959768.8030 2111385.9600 1750736.4390 2086126.4100 1488469.3770 2289552.1190 1414251.6800 1768253.0690 1683319.2800 1669911.3210 1823756.0750 1745157.9270 TG 54:5 7879.6741 9036.9922 8983.4339 7236.7035 3869.1837 8743.1317 12451.0735 11698.8156 12025.5674 21049.4990 10019.5207 12319.9469 13437.0156 8388.5913 9685.2531 13976.2114 10663.7318 14246.0549 13504.3960 5197.6271 9641.1041 5489.6378 7623.3441 8020.2762 9496.8800 11392.7940 6191.8501 13052.2181 5610.6117 7825.3918 9243.7602 8874.7280 8162.1627 14040.6040 6371.1274 12070.5483 8545.8569 5297.2177 16609.7800 10356.3659 7366.7979 9629.1396 10745.2947 14584.1528 4877.3640 13354.1312 7142.1186 11089.9075 6811.1888 9235.4113 8876.1008 9249.0270 8733.7804 17027.6336 8548.3846 11774.0565 10798.7409 8120.2973 16171.8090 7535.9811 TG 54:6 7907.3557 8565.5096 8521.3167 4735.8053 2818.1096 11504.1627 12195.1683 9171.8098 15001.6321 40513.8531 9134.6455 11359.7007 12302.7494 8786.7687 7483.7528 19444.7405 13130.8212 17640.8524 12386.3354 3922.4521 8423.7738 6241.4647 5860.7017 6676.0817 8026.5427 8865.2201 5387.1690 15330.6028 4367.9179 7576.7612 6387.9236 8538.6391 8052.0648 13048.6640 4120.5952 11081.8464 7499.6469 3164.4259 15243.8210 11293.4979 6513.1723 17534.5793 9070.6825 15341.8824 3031.8151 8066.2283 5038.4614 9313.9732 5006.9742 13100.8056 6267.9404 8615.6346 10715.9630 25817.5271 4967.8059 12692.3639 9918.6994 5344.8956 16183.0177 5742.6759 TG 54:7 9948.7680 9543.8091 9374.1309 3565.4174 2349.8382 15140.8879 10556.1484 6453.1406 18024.1843 22400.7181 8243.9381 9240.6307 8856.9836 9335.9770 6212.1370 19298.2703 14522.7021 17503.4337 10269.6506 3665.1820 5706.1211 10043.0363 5112.4985 6356.7119 6732.3469 6046.8167 6573.3483 15283.2252 6760.7391 8240.5659 4689.3172 8949.9749 6778.4384 10192.3714 4090.1799 10507.7954 8297.3799 2033.4676 13778.3969 15145.6888 5281.1010 39976.1389 8047.6120 15463.6719 2703.2940 6139.9085 4693.4548 7627.0386 4941.4310 22078.2381 3733.1652 8010.0306 12556.4610 30181.6469 4062.4716 14983.0523 9574.2995 3271.3781 16436.8558 4414.3821 TG 54:8 3553.9490 3537.4326 3545.5551 1450.5264 797.1317 3347.1286 1508.0755 2238.8492 4060.3322 3168.2452 1175.1223 2092.7013 2219.7373 1252.8605 1223.4563 3789.4030 1657.9438 6332.0057 2839.3735 1412.2909 1825.8780 3209.4626 1797.6391 2252.3748 765.8876 1460.0199 1888.4751 2790.3788 2446.5458 1323.8808 1334.7960 2286.3151 2021.4300 2492.0725 1924.0238 3060.7183 3925.7805 693.3155 2421.5921 3137.5662 1715.8109 8744.2003 2449.3826 3390.5396 608.0398 2625.0863 1218.5076 1784.6223 1321.8826 1399.0583 1127.1062 2222.7713 4114.5286 5589.0159 1531.9695 4366.2888 4294.8291 929.7039 3458.2538 1240.6530 TG 55:1 4198.5420 2527.4263 3933.6837 1853.5865 3007.3604 1703.6884 3322.1608 1985.2031 5186.6065 2588.2855 16852.0437 7309.9267 6148.2186 3570.4555 19006.7081 4141.3688 3976.1384 6170.5065 3952.7951 2801.3872 1713.0249 2103.3539 3309.7613 1926.5484 3368.5088 2048.0568 3069.4684 3142.3761 4133.3987 2312.3284 1753.5555 2648.9524 1329.8881 4036.8445 2792.8691 1841.4332 1540.7806 1953.0718 11172.0465 2033.1909 2586.3041 2939.1438 7362.7739 1867.0877 3344.8280 5527.0048 4684.7831 3886.2851 1729.9906 4242.9384 3648.5011 2864.8373 1987.8786 4685.6403 4372.3550 4504.4331 1874.2486 12641.0482 14701.7092 1396.1939 TG 55:2 8243.3199 6088.9640 8060.4615 4349.1289 4712.5194 4538.7063 8140.1893 6663.5637 9108.5480 9239.8778 33917.5500 17614.6394 18724.6035 7023.7016 35705.0572 10415.4489 8708.0788 11635.8878 10593.8071 4521.2207 3585.7475 5144.8170 6825.2862 5495.5460 13482.5711 6556.6597 5352.0721 13557.4242 6484.0314 7450.0007 6353.3671 6501.9741 3614.3405 11756.1012 6741.0044 5848.4001 5902.3130 5242.8239 27167.8268 4006.3615 5048.6669 6905.5036 12353.1960 7013.9878 10021.0803 10519.6269 8635.7755 15632.8209 5659.1470 8143.7395 8708.5044 7277.7670 5179.6213 11898.0850 11782.5193 10099.2742 6932.1925 21935.7780 28715.1991 3643.5763 TG 55:3 8649.0139 9373.2923 10967.5450 7779.4277 4714.7154 8154.7209 11512.8093 11991.2583 11806.7323 15714.1804 26398.9238 19955.3295 24812.5802 7763.4015 25665.1339 16491.1875 12673.8874 12223.6392 13891.5902 5230.8023 6425.1741 6767.0202 10021.7979 8719.1854 21736.6205 11115.1450 8074.7630 22206.0857 6748.9343 10847.5543 9705.3127 9281.2493 6465.2266 17122.2965 11386.5584 9410.3801 9392.3415 6750.3355 30413.7786 6654.7615 6255.1570 8422.5768 14035.1964 13923.9303 13877.6852 12206.7888 10741.9133 24699.7501 11777.0432 9134.1943 11727.5923 13664.7949 8737.2964 15895.4392 16300.0388 12578.1093 10828.4521 17396.5450 26987.3432 6498.4255 TG 55:4|TG 18:1_19:1_18:2 5438.2108 7088.1230 8525.2455 5592.6122 2897.5626 7343.6000 8623.6199 8060.3080 10341.0089 14083.4026 13801.7570 11504.7894 13127.7756 4890.2929 11859.4225 13058.7990 10882.5161 8963.6490 9546.5782 3181.9497 4840.9721 4607.2185 7495.2138 5697.9668 13276.1617 7002.7236 5268.5113 14694.2883 4052.7099 7347.5855 5897.2183 7987.4650 5162.9213 11387.8600 4843.5996 7039.5479 6526.6502 3525.5193 17186.8398 5698.9367 4232.3980 6353.3008 9971.0934 9586.4833 8828.1525 7446.9262 5788.5214 13208.7713 7749.5834 6356.7803 6276.9187 10483.0012 6843.9946 12817.3442 7614.3624 9098.1166 7177.1669 8308.0740 14730.9410 4939.3423 TG 55:6|TG 17:1_18:1_20:4 4842.2663 5661.0973 6412.8554 3114.2213 2753.7276 7083.6397 6471.7842 7511.3052 5842.8746 6549.6686 5211.5055 6157.1503 7326.8339 4499.2664 6449.9416 5215.2975 4558.0543 9963.5323 10103.7831 3315.1037 4953.8252 8848.8701 5432.7938 4950.4305 4952.2745 6043.4464 4267.1738 8320.5186 6908.7895 6577.1226 4388.5624 5157.1940 5743.1466 7651.1321 3562.6916 8682.9775 8572.1969 3671.3753 12628.5487 4027.3686 3340.6024 19608.1467 7523.6609 5345.4452 3214.4467 6613.6748 3234.2951 6241.3663 3110.7063 4495.7278 4533.1223 7053.5535 8246.7350 9536.7341 6684.3418 9822.9857 9254.5887 5647.4893 21152.4137 3628.8795 TG 56:0 16350.2501 9003.2781 11811.7248 6852.0219 9068.1961 5466.9766 9968.1103 6572.2512 19046.5700 5579.2410 14399.0210 12259.5674 11123.4918 9302.8834 14389.3368 9366.0424 9082.5365 15503.9270 9647.3493 8287.3296 6413.4630 5914.9267 9123.7759 5240.7445 5504.7689 7392.1902 8239.0993 5117.6338 12252.5205 5242.9063 5180.2796 7426.5104 4334.4503 7202.7984 8210.3751 5023.0379 3843.9265 5719.3534 32842.2356 8468.8780 12146.2367 10232.5748 21796.7751 5767.3536 8010.5279 31378.4575 11785.8251 5234.1080 4681.3263 9748.7339 11200.7113 8225.5787 5280.3853 9373.2661 7330.8077 15139.2101 5192.0965 28878.5418 50717.8781 6197.1416 TG 56:1 143203.0330 23343.4391 31164.7890 7800.8793 15456.2292 8067.1488 48190.8648 8658.3603 123132.0759 24275.7637 80035.5284 75980.5320 64485.7769 23751.1625 331447.5262 30942.7039 27894.9480 61859.5038 25998.9395 16231.4743 9217.7560 6674.9699 29901.1018 9453.4045 15502.4349 51205.2582 13797.2882 18314.3335 26741.4913 11632.1111 8247.1323 31814.3528 4016.2622 24049.3836 18744.0596 7649.7220 5808.4217 9685.4378 139063.3471 16368.3275 41010.9781 27242.0037 109395.3562 11146.2079 22156.2868 413773.3669 35175.5537 24355.9778 12996.5339 32519.3880 75063.3264 12069.8214 7744.6830 35098.6229 15416.4709 30874.4583 8076.3785 147164.1195 209605.6385 8812.5680 TG 56:10 1058.1056 830.4228 683.1064 66.1558 66.9766 900.3776 240.0876 653.8432 678.0276 332.3284 148.0582 137.8466 389.0919 329.9593 70.5840 392.3554 89.5255 1515.2688 556.2169 115.9728 81.9782 866.8775 230.4870 582.4036 74.4936 369.3217 608.6015 379.3426 755.1255 193.5553 119.6456 453.2967 566.4338 303.7990 593.0721 614.8532 1527.9407 76.9241 272.8796 915.3111 242.0726 2456.2138 382.2285 681.5443 3.3509 1450.2706 229.5385 107.4623 185.4359 314.8971 169.1408 194.6581 964.3288 829.9143 265.1672 1284.4309 1688.5736 101.5902 683.1354 177.5861 TG 56:2 217887.2158 42909.5993 53879.0472 19661.7378 23460.4852 18866.6479 83251.7882 31764.3775 125455.1255 93029.6990 130708.0938 134132.8975 106182.3930 46657.2352 271021.0695 76847.5632 63442.6067 89793.5771 62300.2404 33153.6139 16621.3452 19211.0798 35742.2324 28230.5933 64350.8570 109321.1495 32623.5465 73564.5317 44237.2623 33958.6235 30929.3165 56394.8273 10467.6974 66158.2192 38988.3681 25252.7499 25480.6585 23044.2489 189662.2089 31677.2649 76118.2886 54334.5762 83288.7598 47587.8263 54244.7021 603593.5465 78351.9892 90381.1220 40711.0057 56714.1613 61377.1438 26313.4948 16600.4212 80639.3409 40988.6508 53267.0163 30067.6921 129580.5562 232373.4291 19567.5357 TG 56:3 127577.2985 48888.8848 59056.6832 40206.7775 23394.6065 30138.6612 78028.4594 71823.5447 76528.3403 134389.1518 84613.8335 85730.4795 87709.3881 52817.1328 94064.3171 95929.4502 76428.1117 52987.6357 72765.6139 41956.3781 28981.9536 26394.7389 46655.6720 66883.1922 97937.3965 99116.3586 44238.5040 99851.4591 38990.9669 51481.9573 52858.1075 47855.8514 20225.1360 75263.9042 36083.6990 46685.0730 52189.9290 29203.1683 135073.1262 38521.0906 61661.7107 52102.0144 58305.4471 134812.1291 82677.5678 390793.5326 80376.3234 99907.8401 75585.6204 48012.5419 57602.9098 44787.6697 26370.9902 75182.6877 55581.5550 50257.3348 56303.2846 66529.2399 121762.0526 31685.0295 TG 56:4 63340.3878 49833.8071 54968.7184 49077.7752 20240.1171 47477.9028 54282.5782 70206.9739 81044.7527 120012.8983 68609.1715 50428.2231 53930.6853 41787.6263 60682.6505 100437.2097 85048.3867 41759.4673 58776.2164 30000.8721 30603.4184 26596.3383 50626.5881 61860.8491 79912.2659 75336.8358 43875.0143 77613.3736 40878.7807 45818.1151 40945.8947 42561.7240 23777.4150 63114.7054 24921.8053 47255.1148 44254.9092 22380.9038 84140.1727 51773.5942 43952.6448 44091.1157 58049.0030 134507.6296 74006.6038 215963.6147 63218.3208 64472.5550 66656.3964 38373.8584 39432.2516 52888.9118 30209.7437 62262.1006 41985.4471 39935.3225 51815.9756 42368.4835 65833.2813 36594.9782 TG 56:5 5994.5749 9193.9594 9550.8343 7012.6554 3511.4913 8254.1138 9424.5318 12295.2447 11376.9638 16620.5413 9803.4815 10947.5865 12017.8201 7269.2178 13490.3717 14176.6109 11070.6715 11136.5730 15367.3993 4702.4133 8336.0896 4794.5845 10958.9779 8845.7938 9107.1314 12107.5568 5106.8177 14278.5689 4955.5496 7043.6644 9993.8325 7671.6258 6856.8652 15910.6934 6589.7173 12008.6458 10847.9659 6095.5225 19838.5242 8417.7959 6143.6937 7107.6783 13082.3082 14043.8598 5837.7208 11462.3240 6212.5426 12896.7514 9816.6415 6051.7075 10104.2510 9780.9438 9041.7528 16515.9346 11536.7157 10343.4001 13635.9502 10082.2961 15899.1085 7421.4402 TG 56:6 240958.7818 373902.4028 366963.9833 253143.8018 111261.3536 356160.1395 307081.7649 534126.7389 374750.8179 425658.1204 322043.1524 396363.8472 476236.4063 241641.5342 420448.7470 389226.6436 226830.1307 521797.8650 496531.7309 144576.8340 372453.5568 283166.5323 408867.9785 342432.0004 296516.4636 412372.1690 209904.8424 520889.7131 189140.6726 256112.2141 338186.6374 251478.6034 340375.5127 575488.3133 248028.7140 523755.9131 541780.1747 245896.2320 655106.1779 297260.0178 222549.9640 403066.4643 471647.5396 440806.4148 176260.8588 473139.4308 213025.1558 464889.2988 328526.9283 221180.8706 300077.4290 311579.3367 382379.8004 622540.2648 372708.9091 413766.7899 613236.0733 329803.9841 582312.8708 312905.4344 TG 56:7 6425.0554 8961.4335 8263.3344 5758.1527 3337.7272 10957.5749 6265.9161 13922.3196 9421.8571 14457.6964 7133.8511 11207.2202 12233.8731 9186.3976 11751.7055 10289.2311 8220.2214 14431.1846 17961.3031 6831.7342 8147.5950 9286.2238 8012.2724 8163.6659 8133.1018 9133.8910 5011.9630 15399.9206 7413.7574 9799.6384 8273.5266 6052.2236 8743.7312 14540.4778 4817.3502 11592.1324 12257.3511 6169.1963 17702.3851 7557.5160 4282.2991 24683.2815 10291.8761 12749.1417 3740.7459 10759.5780 4781.9525 10373.5325 6750.6741 7637.2798 7323.2737 7501.1556 11218.1755 19628.1854 9974.7951 10473.4668 17351.3025 8082.9503 22261.8057 6908.8195 TG 56:8 7743.1350 8563.2014 7926.7722 5075.3244 2979.4950 12564.3804 5427.9803 12281.7080 11091.6340 20280.2883 6272.9574 10040.4863 10516.2975 8589.4840 8975.0446 10602.9706 7734.0415 16816.4411 15778.7902 5108.2150 7242.5659 13240.7426 5856.7383 7720.7191 7538.6027 7374.6576 5303.7357 17718.4076 6143.6625 9959.8956 5466.2108 5843.7605 8565.1359 11767.1912 3785.2115 10250.2556 12139.4927 4156.6119 16723.2975 8575.7430 4004.4891 48075.4271 7703.5883 15123.4072 2984.3119 9825.0005 4315.7134 7684.6808 4206.3388 7163.7261 5154.9865 6486.0526 11615.5621 25266.6544 5893.2073 11106.5578 16965.1175 5405.0036 25526.5894 5752.3004 TG 56:9 7768.9967 7667.8521 6293.5059 3367.8184 2107.0188 8819.6837 4397.2648 7525.9603 8716.0057 8223.5127 3246.4998 4592.1854 5341.6857 4289.4714 3414.1752 5818.2554 4187.9007 16875.3468 6457.2530 2833.1723 3649.6267 10047.7146 3662.2709 6335.4146 3235.0411 4930.6849 5045.6824 6338.2791 4943.3318 4030.8366 2690.1560 5021.2050 6052.4687 4743.8676 4249.4627 7427.2181 11703.5123 1975.0501 5973.0318 9322.6681 3025.9080 25763.5253 4414.1541 9420.3927 1542.6420 12794.8852 3222.0856 2783.8611 1959.3652 4196.0852 2327.5566 4074.5711 8455.3341 11417.6084 2889.7415 9810.5683 14948.2994 2973.8210 8610.6833 3560.2946 TG 57:1 5607.6120 3375.9280 4962.2246 2647.4556 3464.1190 2028.3599 1542.2574 2634.5370 7529.6750 2834.4813 2752.0141 7900.5050 6380.6815 1997.4852 14033.8024 5012.6286 4249.0191 3335.0034 1952.1928 3437.9489 1375.5302 2483.7047 2459.5913 1275.7835 2686.4265 2804.9266 1923.2921 2870.0873 4105.9950 2495.5482 2119.9701 1618.6469 1818.4989 3431.0877 3240.0689 1217.2009 1557.6328 2168.8587 12312.7635 1568.0329 3578.8019 1673.4317 5820.2089 2996.3130 3230.2874 9558.2889 1979.1591 3438.2583 1044.1011 4440.1577 3548.9625 3378.4901 2398.8895 4743.8799 3608.7897 4859.1067 2442.9392 10878.6128 15978.3780 1381.4972 TG 57:2 3970.0676 2018.8073 3295.2121 1818.0584 2058.7078 1597.6960 3089.3980 2110.3352 4212.6490 2899.0807 7847.0855 5759.1519 4174.4101 3175.4893 8532.1702 4437.7991 3444.1502 4311.9414 3036.9638 2170.8388 1508.6117 1944.7623 1774.5106 1764.0792 2497.0886 2351.1884 1972.0359 2915.4687 2956.5600 2056.7602 1675.0381 2662.1736 1339.7392 2843.7429 2386.1303 1639.2611 1964.4952 1581.4387 7672.6657 2145.7292 2137.0172 2893.6217 3007.1242 2914.2222 2525.9848 7496.5081 2883.8826 3467.1287 1649.5606 3236.1395 2371.7128 2264.5565 1772.2083 3911.3184 2684.5757 3113.6777 2853.1741 5391.2050 8726.9752 1333.7326 TG 58:0 7769.8654 4488.3812 5676.3813 3829.6836 4687.2659 3140.7223 4138.4586 3496.9336 7949.1991 2590.4388 5436.4677 5169.9250 4995.8263 4374.1774 5474.1829 4199.7894 3674.8506 6054.8977 4328.2168 3735.1829 3237.6064 3554.8696 3262.7069 2618.1527 2945.6023 4094.1951 4428.7248 2247.5466 6266.3238 2825.3439 3120.1323 3624.4846 2544.5193 3511.1801 4598.7045 3039.8758 2216.4770 3154.8852 12636.5577 5017.7052 5194.8788 4228.6066 6778.7054 3191.9944 4276.9932 14279.5878 5419.7946 2395.1791 2417.3696 4242.9384 3706.8771 4264.1335 2856.7468 4524.1578 3846.8595 6666.6230 2827.8990 10635.4121 20131.2057 3706.0376 TG 58:1 86980.9678 13394.0334 14880.8520 5003.3358 8244.7130 4515.2764 15984.1350 4573.5202 59442.7410 11869.7940 26210.6168 33093.3314 31963.6495 12977.7439 115934.9064 14544.5566 13369.4318 22749.3300 11461.2288 10017.4719 4240.5085 3880.1167 6829.2738 7269.3911 6337.3904 30694.9522 7340.8202 8593.9710 15167.9748 5751.2239 4487.6439 17390.5378 2547.4746 11427.4459 11026.6690 4696.8531 3303.0483 5233.8327 80029.2440 8344.3357 22594.0917 12980.7237 20929.9355 7598.1686 11878.0995 228328.7901 16507.2366 11374.9623 7325.0915 10156.2478 14814.0371 6592.8966 4636.0263 16480.4825 7740.1716 15413.1703 4003.1929 51967.2142 125321.3469 4456.7980 TG 58:10 10139.7439 8258.4286 7632.5497 4110.2330 4957.3684 9432.2083 6859.9936 18037.0529 7211.1151 10736.4322 3186.8453 5838.8867 9394.1945 9661.4064 3984.7294 5768.4897 6709.2493 18952.7741 10086.9879 6281.4299 6527.3807 12973.5941 3787.4835 9123.1391 4788.5437 6743.7188 7686.2050 8188.4468 6948.3727 6428.6675 2880.8412 5899.4673 7923.1780 4770.5651 4086.5542 13908.1875 19007.7752 5581.4895 9352.8490 9129.1023 4150.0933 26522.5567 4094.3303 18108.6503 2435.8146 25098.0833 4523.6177 2701.5268 2004.0485 5133.1492 3460.6501 3823.8597 9724.6065 10520.1891 3902.0220 11018.9422 23529.2085 5298.0807 16571.9114 5021.3993 TG 58:2 260616.2633 22534.7109 23819.4545 10107.1305 11544.1354 9370.8442 31444.9605 10356.0867 74143.4935 36453.4818 37151.8315 65335.2570 63326.2973 24617.9214 106719.7705 35856.8830 29454.7581 37239.2536 21254.7950 15051.5500 6112.1665 6988.7796 7073.3189 16482.1990 13986.9551 110600.8253 13268.0695 19010.7646 23711.8547 11933.7192 8280.7826 51775.9232 4213.2827 24373.8870 20111.2133 7913.8900 8564.9744 8023.0790 125680.8040 18142.6654 55548.8924 26987.6738 17955.9637 24286.4577 23772.0397 842694.0048 34600.4865 26423.4237 14920.5173 20308.1371 14409.8955 8909.4299 7447.2525 36947.0683 11950.9101 23333.1805 9208.4130 59225.5232 207138.0899 8418.8046 TG 58:3 199277.4151 14563.1338 15764.8149 9136.8459 8553.2447 10051.4271 31053.4957 11915.7281 27912.2814 41542.4846 17309.8743 35927.9720 33276.9231 18590.9925 30347.2203 32884.2861 28063.6692 20236.8255 16241.9276 9906.6534 4867.6097 6019.7853 5593.1139 12898.9965 13518.2660 95035.5933 10316.9790 16450.2022 14974.6262 10644.6031 6784.2781 39485.9173 3928.5881 16001.9226 9818.1648 7190.6559 8749.5471 5881.1936 67884.0985 15015.6028 31518.8258 22140.5605 9903.8134 24650.1389 16312.2813 614135.2098 17201.9568 18743.3459 11940.8822 20640.4680 9900.7223 6769.2100 6022.8566 29330.2555 8711.8061 12846.6369 11943.4745 25250.5418 101421.7757 6022.0049 TG 58:4 8422.2770 3262.6337 4523.6393 3405.7967 2679.0651 3469.8566 4799.3098 5033.4651 4926.3623 8242.8926 3320.5289 4873.2845 5263.7256 3599.0192 5067.0177 10721.9765 9933.0290 4431.9627 5039.5421 3053.9501 2205.9587 2522.6806 2926.1480 4597.0820 4899.5081 5585.8712 2803.4663 5098.4340 3426.9910 3318.6281 2860.2771 3212.7401 1745.6013 4225.5681 2211.5094 3086.7714 3888.0634 2235.7926 9114.8660 4024.3676 3415.1608 5828.8071 3758.9053 10514.2999 4491.4521 25658.6342 3975.4114 4989.2437 4363.3297 2510.4597 3331.1751 2859.7415 2169.9608 7486.4355 3258.4593 3520.3495 5804.5325 3999.7277 8858.5185 2456.8115 TG 58:5 6858.5742 6321.5788 8079.8679 5890.3131 6473.6753 6140.8652 9419.5712 12021.6958 6314.6217 9178.1494 9375.1038 8380.9411 8295.6656 8593.7171 12833.8741 10722.6977 30630.6414 8101.4373 13507.2770 7282.2321 6841.4530 4252.4036 9136.5364 6367.3758 8590.8227 9308.8261 5109.7457 10299.8490 6666.7231 4913.1106 7643.2960 6303.6568 4393.5564 12310.3043 7094.5052 9081.0689 9341.7846 5938.1374 21004.2942 6825.8196 5272.3421 5305.3030 11317.6688 9266.7111 6843.1891 10088.5398 5596.8323 9755.5432 8118.2211 5738.9719 8642.6443 6610.2222 6949.1780 15970.2242 9688.2793 8122.5700 10966.4932 10229.8211 14880.9130 6459.2341 TG 58:6 16913.1832 20532.7772 25308.8982 19087.1627 14903.9465 22776.0941 21607.8811 40602.5334 24442.9386 32993.8212 29210.5925 25011.0580 29057.1544 24084.0767 37450.7046 30947.0313 65679.0231 26000.4950 41286.5057 16496.4850 25786.9333 15015.1241 32614.3086 20773.8742 30633.1775 26076.9917 16532.5132 35479.0030 15685.6012 17451.9250 21886.7281 16928.7418 14831.7007 39318.0366 13826.9915 30151.7750 29153.6547 14759.4283 57923.7061 20588.4966 15989.3819 24076.2390 35092.8664 33989.3954 19484.0799 24633.9416 17385.0993 31837.7047 28046.9979 14266.2539 22351.2791 23137.8161 21618.2899 55301.1451 26852.5309 22939.7023 37060.1561 24313.9113 45435.1762 19988.8433 TG 58:7|TG 18:1_18:2_22:4 15605.7539 22226.1648 25036.2378 17010.6068 11342.1075 26074.1314 16016.6892 33560.1916 32307.7107 32797.1517 24554.6647 24080.5932 25217.9728 20191.5415 29461.6392 29621.3894 39646.8947 30673.3829 33938.1202 10722.7582 24072.8438 20381.7004 30297.4756 20743.6887 22923.0868 21977.0409 12403.2147 34136.1769 13513.0929 19811.2328 16987.8025 16173.2474 16701.4249 30937.7869 10970.2367 27984.1570 31984.0365 11294.8488 42321.5132 21820.4152 14354.9074 45395.4226 31763.9682 37003.8447 13234.3085 24492.0823 12907.8776 25284.6443 21563.4429 14768.5637 15473.3868 20491.0774 25451.7400 47858.3893 18348.7939 21222.2126 39443.7959 17909.8832 37304.9118 20835.1328 TG 58:8 19521.0919 26146.8695 26853.6501 23060.1838 13931.1385 27516.7438 23400.8062 72007.2972 23656.1133 44417.1611 14700.8872 38122.0312 39223.8629 48242.0249 35226.6544 22946.2991 28284.0397 30151.8197 62963.1561 30112.5496 20838.4313 41834.5657 18580.9205 45185.1074 29484.7341 29601.3762 17636.9090 45130.1297 29128.6623 42899.7519 23136.4636 14513.0483 20814.2271 25518.1966 18124.3685 30618.6466 60070.3796 24603.7093 55838.4939 20228.3742 10105.0802 122561.3076 21780.1989 91355.5683 11483.3001 51236.0093 19374.0259 20700.1218 15111.9110 31722.8836 21123.1375 19783.7857 26271.9941 34763.0834 32322.3296 29072.3746 92750.0325 27972.6963 81669.3129 17536.9308 TG 58:9 19446.3817 19076.8254 20096.3305 11375.1159 8860.6784 24372.6744 18385.0107 46443.1566 20646.3322 38064.8798 10247.6411 23470.4190 30695.7344 28313.4660 17444.0563 17448.9962 16036.2594 38416.5213 38560.7467 16934.6045 15011.5916 36372.5657 12238.9392 28513.8048 17136.6389 19204.7298 14373.8580 33634.0716 16452.9061 26060.4389 11726.2013 12696.0842 19639.9852 18487.5509 10629.5130 29096.1033 51137.0623 14250.9304 41704.2446 15332.2103 8562.5934 113109.5357 14745.0493 60133.3954 6402.0861 48529.6638 10406.1522 12604.0955 7266.2584 18340.3028 11136.3480 12007.6531 25812.3690 35448.0605 13954.1804 29735.1565 70715.9456 15539.4462 68218.8536 11523.4990 TG 59:2 6104.5220 2447.8792 3915.2476 2203.9670 2175.0934 1871.0449 3912.2066 1879.2355 5556.5189 3822.1354 7080.2014 7184.9187 4292.7677 3608.8687 9343.8864 5014.0711 3193.6509 5876.6308 3365.9518 2207.7783 1278.6469 1946.1063 1615.8016 2435.2638 1940.7143 2880.7095 2264.4989 2287.6917 2487.6514 2081.1895 1129.1551 3659.4262 1124.0018 2268.3660 2599.0826 1377.6880 2355.3078 1367.6497 8769.3329 2610.8873 2459.4580 3313.2167 2713.6273 4305.9471 2296.9037 12263.2571 3607.9056 2786.5343 1524.4472 3140.2538 2019.2115 2197.2925 1689.1223 4170.0875 2689.4145 3982.1237 4501.8908 6231.6327 9825.7111 1604.3983 TG 59:3 2821.6148 1275.1631 1784.4214 1435.8251 977.2000 1134.6766 2259.2647 1427.1818 2100.2318 2530.8637 2391.2121 3055.6007 1775.3646 1576.9101 2974.9857 2726.2930 2000.5511 2308.6449 1484.8916 972.4533 832.5578 1319.8041 739.3130 1423.1600 1323.8139 1654.7532 1004.1228 1229.3725 1289.4986 1219.5864 554.2955 1740.4703 618.6443 1250.1790 1022.1709 598.1792 1653.9316 774.2356 3518.8314 1605.5456 1155.1706 1809.0084 1082.3307 2816.8587 1393.9830 5301.1317 1529.8497 986.9421 548.1158 2015.7771 933.2679 844.8773 936.9281 2007.9425 1032.6035 1550.6301 3556.0174 2140.3199 3457.6183 894.0540 TG 60:1 21600.8166 4056.8988 4589.6211 1952.8201 2600.0107 1503.9764 4532.3650 1457.6193 14238.5797 3400.0855 7021.9844 8051.8660 7341.7172 3986.1058 30241.3312 3926.4389 3104.9862 6082.2555 3389.6626 2930.2458 1523.5168 1529.4675 2111.8670 2432.6003 1846.0453 9080.5181 2199.0429 2166.6744 3787.8070 1786.1586 1198.3252 4057.0052 809.7541 3172.3982 3875.7315 1507.9535 1087.3738 1934.0905 19405.9175 2520.8567 6331.6519 3246.9127 5787.0565 2562.9501 3346.0465 59722.7781 4854.4950 2959.2224 1839.4648 3237.2291 3669.4566 2133.0859 1506.1561 4404.3696 2814.2559 4627.0555 1310.4187 13583.8356 30513.5927 1341.0810 TG 60:11 1314.3791 1157.0478 1280.8245 900.4534 637.9249 1765.0525 703.1717 3328.9636 918.2530 1879.8446 375.8954 1221.6997 1587.5515 2779.5381 1167.2506 626.7589 1141.4504 1373.1848 2928.2891 2151.0805 892.1783 3061.6231 778.3921 1708.1471 900.1314 1116.5987 970.6985 1709.9506 2378.0364 1751.3938 856.2137 691.2774 1187.0483 1091.8352 761.3044 1638.2190 3008.5345 1313.7030 2128.1178 868.7952 442.5088 9745.6863 895.1167 2269.9051 419.1697 2222.9219 727.6859 713.2074 428.2155 1713.9553 838.9682 748.0578 1518.5306 1873.5943 1429.3865 1390.7553 5649.9653 1016.6712 3645.7188 642.9841 TG 60:2 93473.8093 9499.8444 9617.8276 4744.8383 4571.9783 3533.4520 10569.5500 4159.7953 24249.7138 14702.1220 13215.2740 21663.5468 20122.2159 9451.6113 35059.3442 11539.1431 8201.0545 12964.9471 7979.6867 5722.1833 2151.6615 3427.1900 2794.5551 11564.6175 4743.5371 36064.9860 5755.9495 6662.3494 8930.5772 4744.9242 3046.2886 14288.2887 2068.7149 7931.9161 8752.3387 3415.0405 4014.0544 4131.9206 46857.4934 6455.1937 17627.7295 9290.4654 6060.0768 12965.5683 9660.3994 323466.8189 14232.6078 9791.3640 6024.0611 6968.0511 4979.9234 4183.6204 3159.9226 11390.4740 5418.5072 9861.7903 4081.9347 22228.2346 68493.3787 3080.1998 TG 60:3 84399.1208 8673.0374 9198.6487 6463.6631 4320.5414 5181.3550 14025.9971 5794.4033 15558.9492 31351.5591 8867.6810 18352.5244 15290.8146 8747.3698 15092.5627 16552.4930 11343.9168 11403.7878 8833.2770 5469.6204 2455.0872 3951.3484 2504.2532 11616.1105 6055.7114 38305.8576 5899.3957 7400.0892 8752.4528 5658.2046 3201.4539 14577.2653 2382.9625 7156.7683 6409.8636 3558.8536 5750.6424 3777.2708 32643.1537 7907.6873 13466.9850 11384.4816 4292.2700 19356.2391 9229.0445 275076.2600 11070.3487 7040.6504 6692.0773 9357.5642 4487.4693 4234.5781 3588.6114 13469.2306 4671.3939 8935.9135 7014.8227 13389.8908 44122.9207 3325.1461 TG 60:4 18957.2902 3056.5346 4077.2913 3316.3639 2253.0498 3109.4824 7559.0960 3342.4914 5363.2941 20408.4086 3309.0293 5421.9682 4284.2630 4321.9748 3352.0874 9488.6535 6572.3786 4492.8559 4384.5301 2716.3405 1464.9610 2498.4887 1448.3197 4331.6267 3392.5641 10444.6103 3254.6949 3514.1551 4083.1585 2652.4596 1587.1734 5144.9172 1679.5995 2871.3610 2413.8141 2087.3745 3031.8067 1705.3164 8610.8682 4669.5869 3751.1576 5567.5499 2176.3623 11311.3440 2973.1804 49513.0382 4036.4589 2808.4545 3503.9198 5791.2731 2253.4640 2270.6715 1718.2908 6162.1465 2124.2406 3625.1218 5165.8492 3336.3132 9741.8285 1877.5134 TG 60:5 886.0982 959.3855 1277.9135 1081.7692 1096.8795 1024.2213 1113.3552 1242.3020 1366.4998 2685.9025 948.7226 1055.4729 978.7539 1234.1464 1088.8239 2561.8499 2980.1670 1110.1970 1560.9638 1262.8148 807.0061 952.8932 695.4486 1292.6519 1090.2453 947.7659 1112.7519 1048.4284 1202.7201 948.0452 673.9411 964.1998 636.3761 848.7960 786.8587 874.3421 960.5804 606.4013 1884.4140 1438.9890 850.1591 1524.9901 1017.9759 2892.2677 919.9800 1497.0980 1086.6450 875.2027 1207.9401 961.0354 809.0317 891.7583 726.5612 1716.0827 914.5364 1026.7686 1508.7313 1070.5448 1515.6074 824.2443 TG 60:6 1067.6615 832.8334 1181.8517 1101.3709 1571.2058 1104.5524 1105.2167 1604.1704 1141.0708 1488.6589 1208.1838 1272.3786 1063.8013 1993.5454 1503.1782 1679.0503 6101.5088 796.0236 1883.0361 1766.2226 1142.3715 982.4611 1545.6187 1179.8999 1748.2724 996.6890 1303.5492 1161.8821 1083.9705 1085.2252 873.9736 856.5418 702.3780 1261.2262 640.9864 1216.1588 1129.9057 717.2918 1999.9731 1099.8738 945.0516 1353.7875 1527.9389 2422.6321 1233.1388 1494.3434 1385.7776 992.8231 1497.6372 953.4081 996.8828 1126.1634 804.3439 1767.7041 1149.7029 1016.6794 1704.1275 1219.8515 1955.3559 951.6164 TG 62:1 6200.9503 1251.0579 1163.4156 866.1505 944.2606 556.7390 971.7443 608.7505 2256.9006 806.0579 1630.7966 1316.9761 1190.6637 1182.9288 3816.1120 884.2421 687.7971 1298.1715 906.9398 844.4537 242.7406 595.3903 578.2113 952.6205 640.1796 3289.3616 771.5451 555.6321 928.6826 514.8947 402.8691 848.9869 422.6089 928.8885 1142.4890 467.9137 463.0367 720.2889 3881.5267 897.3049 2907.7765 920.3380 1142.7852 790.3623 1036.9576 23536.2534 1162.3439 667.7631 421.5130 904.3757 618.9355 641.0468 486.1419 924.5536 847.7607 1042.2904 548.2761 2237.2924 6294.3777 514.3872 TG 62:2 12169.0826 2029.6547 1904.7413 1361.0936 1447.1343 719.6326 1844.1981 964.9823 2769.5556 2517.2261 2741.2332 2497.4569 2486.9278 2140.3034 3950.0909 2058.4233 1342.8829 2253.9293 1578.7470 1365.9017 677.1186 1016.0610 752.8710 2576.4256 1008.7679 5728.8035 1318.8687 1139.7732 1761.4521 1170.7278 664.5938 1609.2032 596.9720 1561.3428 2265.8123 835.7835 950.9505 1017.9950 6486.7549 1290.4385 3309.6171 1511.1356 1113.5330 2436.9503 1748.5713 47628.9259 2357.6534 1797.4536 1112.6156 1604.9944 846.4523 942.7159 799.9245 1532.0985 1428.4188 1755.5182 1224.8720 3514.0959 9616.0044 749.5357 TG 62:3 8437.9140 1801.8609 2001.7734 1773.9545 1482.2696 929.3860 2075.3332 1228.7742 2242.9745 4417.8861 1681.1076 2536.6486 1987.2743 2097.9504 2039.7475 2796.2534 1787.9280 2447.1989 1700.2650 1293.7409 656.8902 1296.9562 677.9029 2784.1732 1115.0765 4408.8381 1524.9854 1305.0083 1749.2726 1192.3384 643.0950 1449.6050 661.0037 1218.8785 1650.3802 893.1003 1189.2900 875.1360 4801.9949 1659.5640 2281.2925 1917.8656 747.8808 3601.4937 1621.8456 28144.6157 2143.9872 1393.8018 1219.8556 1654.0268 805.2897 1066.0334 773.4076 2017.2079 1302.6095 1799.7554 1812.0329 2053.3526 6193.9727 912.4250 TG 62:4 2506.2681 1026.8799 1254.6258 1158.9510 1013.4332 948.3531 1413.6682 1095.7510 1376.9444 3401.5211 876.8496 1346.7077 962.4531 1172.0944 901.2534 2349.0836 1373.8725 1591.1646 1095.6385 865.9302 522.7441 959.6132 491.2802 1577.6390 798.4786 1821.6674 948.4156 876.2115 1256.0051 849.3884 544.9482 826.3221 525.0595 735.5619 929.5367 699.2652 942.9256 551.4556 2262.5554 1186.9033 980.8783 1384.4654 669.8749 2992.4948 898.0467 6569.6020 1186.7629 804.0959 916.7535 1171.3299 523.8873 773.5366 654.0819 1354.0706 807.1147 1251.0589 1609.8318 893.5316 2667.7231 721.3669 TG 64:2 2425.4768 809.9335 879.1114 713.0121 731.2530 439.5896 484.2444 572.6764 741.5655 539.0467 657.6372 636.5272 528.7114 759.3990 650.2880 623.1527 541.4573 857.7992 581.9036 768.8566 340.6886 596.7343 335.7613 824.7758 357.7246 1486.8797 582.1406 345.0156 752.0807 373.9564 193.4893 623.2829 265.9776 431.7628 589.8778 378.2910 376.3678 438.5670 1405.5875 574.6953 935.3687 550.2236 430.0071 944.9984 615.3509 8185.1456 636.1147 421.2949 251.7162 588.3890 178.1217 415.8142 422.5015 516.8764 593.2390 531.6224 567.7185 704.9741 1966.1590 400.4872 TG 64:3 1106.7541 535.1346 737.4444 768.1419 633.5330 418.3911 533.8896 583.9496 645.8235 651.0191 454.2369 487.8690 464.2171 624.4604 380.3694 688.0644 501.8594 804.8487 448.5301 501.6897 308.7490 620.9262 379.6256 837.2052 306.5102 665.7384 568.2137 270.5434 491.7450 426.5734 158.9043 432.5206 199.9758 389.4151 515.3445 207.3827 416.4922 326.6775 942.2070 507.1724 550.9573 527.4625 276.9206 1044.2709 512.9955 2010.8216 478.6122 309.5555 236.8218 627.6149 218.5359 411.7376 307.5953 428.1934 398.7185 554.1291 736.8675 474.0874 1143.2191 318.4302 Theophylline 20885.6620 885.2141 6487.9688 9663.2613 24714.9153 7799.0427 9793.2680 14081.4450 57381.3970 11769.0728 12087.4364 54507.6991 4638.3591 5425.6895 24974.1155 28694.8712 16549.0255 12552.1222 11143.4192 43277.0684 3779.2288 5627.6194 10954.6347 42355.2879 6207.4163 13532.2757 1026.0306 9914.5501 20070.5689 33530.0082 9272.9532 6527.0636 13889.1547 1172.3328 11645.0290 26008.4892 11498.1862 49718.4739 14015.3794 28935.8905 6578.2341 25598.7335 20303.8066 41795.5765 6079.9636 25409.0501 13728.7082 10706.0979 9856.8788 39343.7436 35069.4204 2503.4854 29142.2861 7066.7507 9280.6654 22216.6734 1935.2428 38796.9779 16869.6484 19451.7440 Threitol 12421.7319 10776.8582 11850.0124 6413.0135 6938.8176 5788.0261 15690.3078 6466.5532 21884.5606 7410.7110 10452.6519 17763.2315 12267.8313 19356.3178 8319.8323 10838.6589 15798.2742 9889.1871 15570.8519 9358.6428 2210.4384 15227.4825 18849.4143 21812.3589 12841.4751 10242.6722 10127.1030 14039.4328 12814.1133 12713.0359 6720.6479 15554.1306 11343.9833 17536.7933 18800.6447 12357.7021 8202.4234 15745.9271 13521.0520 13518.3297 5114.0567 12377.4691 12084.5791 16662.1802 18567.4667 10167.3112 11850.5746 10253.0637 11110.5024 8239.3789 6786.8556 10649.4532 7426.5262 8914.4831 13099.4514 11580.7730 8136.6057 16378.6473 13208.1477 9811.4259 Threonic Acid 9613.7271 4716.8869 3115.6526 4416.6426 4866.3486 8097.8393 12927.5883 4783.7483 8220.8994 13577.2950 4021.3421 4767.2487 5622.6311 12821.0935 5679.1431 7348.5177 13881.9031 6637.4017 9674.7391 8757.3805 4197.7277 6125.6234 5469.8201 8282.6899 5427.1540 3976.1444 4658.7569 4381.8429 5587.5381 9858.0686 3778.6572 2011.3885 4943.5011 3855.5778 4218.4134 4526.9012 9872.0669 5853.3816 6683.0531 4693.5812 3462.7488 5506.3618 4525.9012 6240.3719 5186.7675 3329.3636 5186.1410 6696.7130 4289.0234 5610.9163 5794.9610 4719.2521 4762.9958 3593.1415 5833.0839 6016.7434 11514.6892 5319.2588 7017.2568 5441.2491 Threonine 13202.6661 10907.3192 11367.5395 15041.2960 9921.3686 16931.7692 6861.6441 20198.7857 10220.2742 7286.1920 9667.3024 17587.7742 10661.6318 7053.2053 7814.6339 10845.2848 20431.9224 15341.0933 5596.1798 12391.6173 8259.0135 10974.5868 4341.2301 9636.5253 5677.3995 6884.4509 11202.7870 5793.7913 8727.1592 10934.2332 8016.9567 10244.4474 5969.6904 9441.0966 5678.0395 7813.5503 5216.6647 9582.5705 6073.4114 14566.4382 6068.9428 12816.8752 6319.0701 13081.6156 4348.1479 10059.7666 7181.3524 8448.2206 10943.1020 11245.9015 6613.8649 16275.4214 7857.2162 21204.5115 6521.0505 6547.3377 6093.2215 12860.6668 6422.6383 14727.5343 TMAO 5431.2077 4407.0698 6715.6922 3246.3807 2646.7425 8283.9948 4657.6227 10216.0090 9526.6203 5140.2991 5202.6096 4186.0317 19181.4612 2987.1989 5656.6526 4705.3418 7528.6761 6974.1025 4304.3718 5098.4072 6782.3290 5613.9436 5745.8931 8567.1424 23374.3978 5115.4393 4291.1593 17124.3621 3573.5033 3956.8437 12565.5928 4820.3629 5093.6754 4491.1509 3774.8803 29432.3030 5658.0930 3416.8927 6140.9491 2485.1060 2443.7296 15613.6134 2866.6164 7839.9581 1874.1689 4362.6927 1090.0229 12619.1098 1881.0088 4706.2496 9589.3565 7594.1929 7343.9228 7432.7230 14363.8625 3501.1388 5263.5663 7109.0875 7777.4079 4883.2578 Tocopherol alpha- 34665.4158 23572.6342 17815.8585 20239.2446 17294.3293 25978.6519 79376.3230 16089.3532 38295.0453 77346.3923 48629.0526 43419.6605 43159.8158 51282.4483 46038.0992 51978.8253 62493.1865 20129.8082 34641.9982 41973.7369 24047.4643 22831.3293 24362.8581 55900.9096 46664.6523 30905.6184 18808.7176 42329.9328 18100.5441 43094.1230 28022.7647 20579.0623 28561.2709 35098.3415 32272.6096 31014.9593 51576.2070 31366.6321 54403.2738 21878.7711 27511.2588 24444.9093 19179.0349 43177.0565 30356.0220 17904.3150 19337.9647 54961.3296 25555.7391 22037.7692 50968.7311 21985.8135 36907.7940 46198.5854 22750.6266 36949.5457 27821.0000 30647.0538 51670.3913 23527.2132 Tocopherol gamma- 3986.5986 6176.9012 4370.9414 2889.5905 1999.2541 8606.5779 2201.4512 2071.9042 5137.4505 3583.5031 19095.2945 16309.9130 10023.7768 2342.3985 12462.6455 1219.0203 11034.0646 12510.6390 12757.0439 4477.6849 12571.0788 3346.2863 9442.5532 1182.7445 5949.4029 11233.5542 6666.8084 4688.2091 3300.4868 6387.4010 2159.9553 7174.8623 6183.2385 14959.1879 14891.7481 4865.0721 7208.8257 7072.5439 12727.9746 7937.9026 10376.0070 7077.1066 4547.0502 1212.7159 3190.1917 5299.8033 7366.2186 11758.4026 4518.0951 2959.6156 1763.0382 7486.0406 4930.6375 26122.8540 6920.5403 7321.5079 5909.2123 5828.4243 11847.1896 6153.6131 Trans-4-Hydroxyproline 17124.9883 30890.9427 32234.4841 19199.6784 12276.6700 27391.9258 12883.9664 66945.8117 29251.1753 10704.9926 13933.8289 12147.0346 39034.5539 27191.2700 20727.7485 18558.4467 25319.3591 28358.8786 13079.6336 10360.0519 16070.9396 13274.3278 19498.8130 36685.9503 19239.5281 11549.9377 21282.8379 9974.0339 32444.5554 10823.7770 10590.3571 16540.1053 10166.0397 13964.8656 15544.7285 14918.4238 19082.0682 18581.9571 32990.1844 30612.2124 11871.2617 18163.9900 19561.8330 16482.4083 13065.8128 24509.8669 12787.6343 17849.5883 14678.5308 10690.3268 9519.0203 28227.3741 13570.1005 11791.3104 28870.5671 17925.6845 34185.8155 44152.2026 19218.8830 25352.0778 Trehalose 6107.4460 6566.8405 7591.9434 7460.2720 5867.3155 6581.0492 5984.8524 7627.6306 11591.9885 7937.3391 8326.3391 5453.7894 6072.4522 8531.7633 8147.4371 6578.4808 8416.5657 6817.1839 7387.9911 5265.8100 20777.7793 12494.6206 6270.5533 12029.7636 7190.1061 9790.1157 11456.5029 11039.5530 9876.9096 14630.6104 13843.8575 3706.6029 16844.1646 8066.9405 8444.4134 11237.7100 12202.7815 20487.2632 10716.9266 15306.3741 10301.6123 10945.4383 8869.8010 7000.1866 12065.0438 4881.3122 12775.5566 25319.4209 7136.6415 12142.8213 17545.8361 8441.8395 11109.0871 9097.6134 7673.0262 7437.5964 10422.8805 13417.5788 9370.7743 13317.8945 Tridodecylmethylammonium 43963.2827 7860.7460 40136.6090 8053.2676 24769.4275 21159.3518 7423.3715 23541.4334 4109.0984 13420.6423 12649.9527 20312.1102 5794.9561 22763.7221 23767.7746 12784.4014 13837.2683 7429.7859 3019.2353 4717.8241 8717.4763 6770.9219 28801.8092 5895.0458 14755.6421 10046.9511 14890.8037 3982.7600 3462.5910 79813.2375 35134.6409 36286.5909 5946.5334 9777.8134 18560.8927 21694.8815 5264.9325 2344.2844 16171.9857 1956.4379 3558.9933 1708.3039 30719.1502 8072.9026 16625.8590 631190.0248 25359.1464 2674.5099 7430.7213 19571.8391 5017.8401 11230.5885 57810.6170 43852.0490 17103.0365 7457.6280 2522.4318 5906.4773 60363.3391 1391083.2000 Tryptophan 14298.7727 11303.0490 16124.8918 19658.8737 22056.7303 10524.4077 10474.3987 6143.1127 11527.7058 9089.6706 15879.2360 15700.8247 5541.5818 12205.1428 10893.2251 16293.0638 11749.6550 13476.0764 5810.4692 14441.9537 2699.1661 9602.3477 5159.5179 8577.0389 4202.6183 3527.3769 14316.1290 4196.7412 7499.3383 15813.0729 13820.7162 6672.5778 7693.2635 5567.5009 6915.6028 4273.0775 8424.4606 9386.8948 9859.5274 6974.8432 9218.2612 10642.1703 6297.6462 13468.8155 6054.6931 7450.9448 11104.2629 4819.6236 12138.6667 13173.1171 17724.2766 3016.8685 9615.5900 7276.0530 6888.7111 13701.9667 7066.7612 12909.3724 10076.4390 8981.1072 Tyrosine 8349.3631 6763.4621 6356.8854 8250.5045 4634.7297 6210.0672 57632.3746 5135.9736 6686.5545 14770.3076 8796.9248 6641.4207 6570.5211 4811.1804 8453.4076 11906.5408 4657.7582 8491.5856 39984.1290 9151.2280 5346.3719 5557.0549 4409.2399 9021.2779 15104.5291 2933.2921 7984.9602 3483.3406 6736.9212 7778.7918 5299.4519 3780.5848 4144.4570 21984.3233 2570.9626 2139.3004 14099.8172 4525.1130 5696.2425 39634.1282 24303.4689 5299.5969 4354.7435 10792.8370 8529.0225 5575.5235 10989.9382 6955.8736 8160.9361 5312.8256 5044.4537 1320.0399 5089.4610 4759.5859 5706.2267 6250.6858 55240.4075 10522.2761 5146.5332 4160.4852 UDP-Glucuronic Acid 5642.2905 3512.1873 3118.8768 2375.8631 2144.7077 5208.3239 6291.2454 3106.8687 20844.3492 4542.2016 3440.6392 5703.1131 2518.9387 3865.4870 3481.1750 4405.6710 3925.9937 3519.4473 19816.6431 3757.6290 7552.3311 4105.1868 4757.9602 6981.6710 8294.4819 8006.6369 2868.7830 4508.8236 4701.7564 4168.7228 4524.2718 4739.7575 4200.0449 5233.6013 3410.6746 5631.1938 3032.7197 4857.6155 3623.8947 4689.6957 3134.3231 3893.3871 2693.3342 1907.9666 3550.3429 5232.8418 4272.3058 5056.7017 4747.1667 3441.2928 2265.9149 869.8906 3812.3689 4192.6997 4891.5546 4234.5538 7575.8633 4127.2818 4514.6604 4401.5006 Urea 10675.0019 8489.4524 9766.8758 11863.8699 12369.7572 10289.0476 8709.7087 12989.8080 12046.9576 12434.8178 11196.3990 10556.1886 10950.0547 10260.3115 10521.5537 9621.0844 7421.2168 9357.4391 9083.0223 8561.0527 8691.4243 11478.0709 10290.8911 5366.4690 8914.7867 10243.1201 10575.9042 9890.3700 13013.0474 11482.2598 9464.8035 12293.9660 10904.3806 7036.4357 9063.1711 10889.1701 11253.2178 11132.0695 9453.4514 9669.0729 7078.9346 9756.0996 6251.7306 9585.8220 9079.2884 10942.1230 8509.3741 9179.3656 6927.5567 7788.3961 10085.1521 14659.0598 11492.8968 6450.0914 11172.0923 9456.8965 11069.3631 11546.6849 11354.2325 9345.1381 Uric Acid 24730.2541 48554.8634 59153.3360 39993.0219 14079.7082 18079.7105 31359.2893 38522.8020 20184.7984 32325.4931 13477.7795 87663.0029 37116.3620 38667.3858 99336.6277 28428.9708 103.7292 53137.0134 8602.7186 18179.5882 42044.6431 34881.7198 47277.2104 48529.6287 73525.1830 122.2832 8120.0163 1012.8225 44471.3073 61816.1199 70085.7448 44312.2326 4828.6033 609.5897 2162.6233 1617.0354 35504.8895 30661.3812 8195.8126 44681.2996 42130.2805 32474.7628 13739.4939 36486.7581 51412.0744 39799.7305 56151.8917 154.6239 33199.5536 55814.3435 99081.5582 69.9361 28538.5299 666.8770 40135.9354 30267.5701 62018.4977 45844.5157 40600.6124 6347.6187 Urobilin 1096.9340 3149.6634 2797.1309 14793.4667 5084.7148 3586.4739 50.2152 4304.0776 1612.5508 37335.5931 485.2037 11829.8880 5115.3633 351.0966 7800.6234 1101.2286 703.0992 3068.6051 1245.1803 1185.5125 6854.7677 1213.0494 11206.0289 23.4762 3134.6629 3116.1418 9681.3827 3224.2286 1481.3630 836.2968 4310.0820 389.3411 377.3093 951.8225 874.6794 389.0482 2294.6096 3088.1690 1543.9457 1372.8907 579.5593 3035.6934 6869.6759 2.5048 229.0979 956.2066 7055.8056 588.2471 12671.0251 899.7704 66825.7459 448.2384 342.9625 3523.9356 1335.9857 1155.4517 2203.5670 14779.2538 4113.9835 2461.6998 Urocanic Acid 7601.1383 6644.6519 10070.7808 11301.9819 9368.0888 9667.6284 4757.3381 22256.5682 7018.4253 7844.4598 10376.9446 8832.7996 5545.9432 7801.8183 10310.9895 153541.2331 5891.8233 6691.8279 5764.8373 6504.1155 3894.9698 6452.5073 6717.4531 5925.0851 3962.4782 3552.9944 11151.1946 9047.6526 8172.4050 7053.0467 6450.6791 4642.6711 6163.1226 6048.0736 5402.0410 8535.5585 7810.5112 5821.3221 10426.2756 7783.5650 5615.6814 7402.7260 6521.4459 9160.7284 2928.5906 8210.3953 6956.6577 7578.4463 8647.9054 9803.7853 9298.4585 3227.1256 6307.5748 7627.2670 5339.7559 8229.8341 3798.9774 6630.5073 9110.3911 14796.7453 Valine 866240.1726 688943.3286 806199.5689 900518.7108 885433.3451 1141994.2330 508138.7511 716728.7397 881990.6519 908964.7201 870999.5989 541407.6516 807507.7787 907665.4450 911442.3651 1463199.7330 1255581.4100 979096.9516 430155.6012 1206635.5200 567020.5997 672038.5703 794441.5433 913297.8805 484814.3316 951333.0687 830910.7069 634555.9567 465262.4282 476482.4682 1026409.7590 353680.7656 593227.8590 839196.7236 610139.3300 850426.9711 548712.5647 460849.3658 1169926.7600 960919.4352 627654.0749 992603.6022 836760.8714 937784.9681 409514.5355 410292.6125 376635.4129 868168.5433 571902.1614 455493.2524 500880.0399 869327.2458 742766.0262 540277.6308 600664.7174 618041.2254 536838.7980 1028091.4700 787763.6937 835662.6846 Vanillic acid 822.9392 714.2068 856.4692 854.4844 586.8763 1111.0469 682.1441 714.1026 1207.0477 593.3277 950.4127 778.0685 457.6662 673.4148 755.8212 729.7543 945.7374 730.8607 912.4542 738.5032 1330.8018 1202.1087 846.4205 765.4924 525.0560 517.2543 673.3326 792.4111 856.9115 1029.1945 2740.2796 1075.2215 552.0539 406.5948 816.6950 1277.8956 1135.2385 2119.0235 974.3148 518.6070 523.5600 1561.1031 1073.9916 893.3712 1259.2996 900.9036 848.5438 502.8304 502.9120 972.0453 1655.8872 884.1626 713.3144 525.7221 1091.3686 1059.3222 774.6485 1226.6415 1252.7227 1289.5574 Vanillin 812.4376 820.3878 3374.3167 598.7989 407.1019 5457.5204 1756.2277 3736.6879 977.2626 617.6982 1446.2802 1266.2456 989.0009 1019.7150 977.6507 942.8953 1108.4152 974.4809 1290.9483 718.1846 1330.8018 1631.5310 1279.5780 984.3242 740.5641 1319.3637 680.4578 2838.3752 1741.1712 1549.2856 569.0982 1492.2965 1370.1369 869.9453 1054.5292 1193.6492 513.8236 2949.3455 1171.0218 1376.5493 649.0524 1097.5497 830.3424 2833.7399 1531.2611 1719.7447 1514.2948 912.9918 1600.0853 1200.3922 610.0637 1711.6796 1655.2704 928.7273 6975.6196 9564.8885 350.1080 1560.9901 1330.6231 1743.1605 Xylonolactone 2816.0912 6074.9899 6657.9745 2778.5688 3688.0772 2045.9488 3861.9910 6546.5457 1208.5241 3619.5373 3348.4159 5252.3620 1895.2015 4051.2999 4486.8260 2002.0259 2876.1283 5313.3949 4009.7501 3312.6740 6355.5366 2317.2686 7235.5894 4758.8071 3405.7080 1250.0059 1844.9758 1846.2595 8182.5179 4738.3437 13300.6710 3658.7247 3938.3869 2369.2515 2345.3380 875.8526 3022.7338 2993.3090 2941.9297 4482.7974 3874.8108 2716.1010 1790.2688 2540.6448 5667.9532 2865.5570 1177.3833 741.1973 2699.2451 5514.3733 10351.5386 820.0730 3437.6405 4322.0780 3289.3556 1441.1717 9894.7667 6199.2616 3716.6886 1469.1878 Xylose 83998.5631 24662.5494 46804.6472 13552.7141 15219.9079 14718.4375 24057.9550 17011.7357 54335.6336 20444.6487 7573.4601 41326.5988 20353.4246 22060.7145 19230.5109 15605.4837 73864.6330 18599.4360 40688.5872 18359.8627 25547.4047 34054.5479 33841.1035 30338.5550 27590.4693 25284.4741 15231.6647 45167.8513 23496.1142 27877.1083 28664.1753 24029.4683 23597.4936 20096.8639 24926.0805 19355.5452 23429.9317 9079.1028 26640.4684 22978.3435 16308.0679 19286.6863 21603.7758 19869.2725 36940.0975 25251.3667 28266.2861 27753.5012 18346.8439 24629.8983 25625.9234 19877.1911 15462.4792 20868.8312 21640.1817 15971.5032 30631.5265 25018.7640 11850.1269 22597.6033 Xylulose 21554.3177 19951.0262 13217.0735 24178.4942 16592.4427 8666.5471 15883.2135 4357.1217 27364.5078 12217.4793 10845.8678 21549.1365 5787.5616 31659.4456 10099.5121 16040.4868 16488.7545 20369.8866 31420.0356 17954.5056 40637.3307 2950.5102 3417.5222 2364.3294 4903.8969 2752.3421 2223.2344 1677.9596 3734.1203 23033.8602 51234.9497 2667.6937 2079.7464 3810.1938 2022.8415 1479.3730 43039.2558 2552.5272 5412.9061 28149.8307 20124.7413 2792.3208 2540.0034 1551.4023 24517.8335 2974.8617 3219.1234 2623.6191 2167.2077 11341.2138 64923.5595 2569.4345 1454.5381 4305.2483 2381.8093 637.5554 50797.8088 14642.1870 1626.2960 18333.5233 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 10-Hydroxydecanoic acid 1,3,7-Trimethyluric acid 1,3 Cyclohexanedione 1,5-Anhydrosorbitol 1-Methyladenosine 1-Methyl-L-histidine 1-Methylnicotinamide 2,3-Dihydroxybiphenyl 2,3-dihydroxybutanoic acid 2,4-Dibromophenol 2,5-dihydroxypyrazine 2-Amino-1-phenylethanol 2-Amino-3-methoxybenzoic acid 2-aminobutyric acid 2-Aminophenol 2-deoxyerythritol 2-deoxypentitol 2-Deoxyribose 2-deoxytetronic acid 2-hydroxybutanoic acid 2-hydroxyglutaric acid 2-Hydroxyisobutyric acid 2-hydroxyvaleric acid 2-ketobutyric acid 2-monoolein 2-monopalmitin 3-(1-Pyrazolyl)-alanine? 3-(2-Hydroxyethyl)indole 3-(3-Hydroxyphenyl)propionic acid 3,6-anhydro-D-galactose 3-aminoisobutyric acid 3-Aminotyrosine 3-Hydroxy-3-methylglutaric acid 3-Hydroxyanthranilic acid 3-Hydroxybutyric acid 3-Hydroxyglutaric acid 3-Indoleacetonitrile 3-Methyl-2-oxovaleric acid 3-Methyladipic acid 3-Methylhistidine 3-Pyridinemthanol 4-Acetylbutyric acid 4-Aminobenzoic acid 4-Aminomethylcyclohexanecarboxylic acid 4-Guanidinobutyric acid 4-Hydroxy-6-methyl-2-pyrone 4-Hydroxybenzoic acid 4-Hydroxyhippuric acid 4-Hydroxyphenyllactic acid 4-Hydroxyquinoline 4-Pyridoxic acid 5-Aminosalicylic?acid 5-hydroxymethyl-2-furoic acid 5-Hydroxymethylcytosine 5'-Methylthioadenosine 6,7-Dihydroxycoumarin 6-deoxyglucose 6-Hydroxycaproic acid 8-Oxo-2-deoxyadenosine Abscisic acid Acetaminophen sulfate Acetominophen Acetylcarnitine Acetylenedicarboxylic acid Aconitic Acid Adipic Acid Alanine Allantoin alpha-Hydroxyhippuric acid alpha-ketoglutarate aminomalonate Arabitol arachidic acid Arachidonic Acid Arginine asparagine Aspartic Acid behenic acid beta-alanine beta-Hydroxyisovaleric acid butylamine Caffeine Canrenone Capric Acid CAR 10:0 CAR 10:1 CAR 12:0 CAR 12:1 CAR 14:1 CAR 14:2 CAR 16:0 CAR 18:0 CAR 18:1 CAR 18:2 CAR 8:0 CAR 8:1 Carnitine Catechol CE 16:0 CE 16:1 CE 18:1 CE 18:2 CE 18:3 CE 20:3 CE 20:4 CE 20:5 CE 22:6 cellobiose Cer d32:1 Cer d33:1 Cer d34:0 Cer d34:1 Cer d34:2 Cer d36:1 Cer d38:1 Cer d39:1 Cer d40:0 Cer d40:1 Cer d40:2 Cer d41:1 Cer d42:0 Cer d42:1 Cer d42:2 Cer d43:1 Cer d44:1 Cholesterol Cholic acid Choline Citraconic Acid citramalic acid Citric acid Citrulline CMPF Condition conduritol-beta-epoxide Coniferylaldehyde Creatine Creatinine cyanoalanine Cyclo(Leu-Pro) cysteine Cystine Decanoyl-L-carnitine dehydroascorbic acid Dehydroisoandrosterone sulfate deoxypentitol DG 34:1 DG 34:2 DG 34:3 DG 36:1 DG 36:2 DG 36:3 DG 36:4 Isomer A DG 38:5 DG 38:6 Dihydro-4,4-dimethyl-2,3-furandione dihydrocholesterol dodecanol Ecgonine Erucamide erythritol Erythronolactone ethanolamine FA 13:0 (tridecylic acid) FA 14:0 (Myristic Acid) FA 14:1 (physeteric acid) FA 15:0 (pentadecylic acid) FA 15:1 FA 16:1 (Palmitoleic Acid) FA 17:0 (margaric acid) FA 17:1 FA 18:2 (linoleic acid) FA 18:3 (linolenic acid) FA 20:1 (eicosenoic acid) FA 20:2 FA 20:3 (eicosatrienoic acid) FA 20:5 (eicosapentaenoic acid) FA 22:0 (behenic acid) FA 22:2 (docosadienoic acid) FA 22:4 FA 22:5 FA 22:6 (docosahexaenoic acid) FA 24:1 (nervonic acid) fructose fucose fumaric acid Galactonic acid Galactosamine Galactose gamma-Glutamylglutamine gamma-Glutamylleucine GlcCerd14:14E/20:02OH GlcCer d34:1 GlcCer d38:1 GlcCer d40:1 GlcCer d41:1 GlcCer d42:1 GlcCer d42:2 gluconic acid Gluconolactone glucose glucose-1-phosphate Glu-Gln Glutamic acid Glutamine glutaric acid Glyceraldehyde Glyceric Acid glycerol glycerol-3-galactoside glycerol-alpha-phosphate Glycine GLYCOCHOLATE Glycolic acid Guanosine heptadecanoic acid Histamine Histidine Homoarginine Homogentisic acid Homovanillic acid hydrocinnamic acid hydroxycarbamate Hypoxanthine ibuprofen indole-3-acetate Indole-3-carboxaldehyde Indole-3-carboxylic acid indole-3-propionic acid Indolelactic acid Indoxyl sulfate Inosine Inositol inositol-4-monophosphate isoheptadecanoic acid Isoleucine isomaltose isothreonic acid itaconic acid Ketoisovaleric acid Kynurenic acid Kynurenine lactamide Lactic Acid Lactose Lactosylceramide d18:1/24:1 15Z Lauric Acid Leucine levoglucosan Lignoceric Acid LPC 14:0 LPC 15:0 LPC 16:0 LPC 16:1 LPC 17:1 LPC 18:0 LPC 18:1 LPC 18:2 Isomer B LPC 18:3 LPC 20:0 LPC 20:1 LPC 20:2 LPC 20:3 LPC 20:4 LPC 20:5 LPC 22:4 LPC 22:5 LPC 22:6 LPC O-16:0 LPC P-16:0 or LPC O-16:1 LPC P-18:0 or LPC O-18:1 LPE 16:0 LPE 18:0 LPE 18:1 LPE 18:2 LPE 20:4 LPE 22:6 L-Propionylcarnitine Lysine lyxose malic acid Malonic Acid Maltose maltotriitol Mandelic acid mannose melibiose methanolphosphate Methionine Methionine Sulfoxide Methylacetate Methylsuccinic acid N-(2-Furoyl)glycine N8-Acetylspermidine N-Acetylalanine N-Acetylcytidine N-Acetylglycine N-Acetylhistidine N-Acetyl-L-carnosine N-acetylmannosamine N-Acetylmethionine N-Acetylsulfapyridine N-Acetyltryptophan N-.alpha.-(tert-Butoxycarbonyl)-L-histidine naproxen N-Cinnamoylglycine N-epsilon-Acetyllysine N-Formylmethionine Nicotinamide N-Isovalerylglycine N-Methylalanine N-Methylanthranilic acid N-Methylglutamic acid N-Methylhistidine N-Methylisoleucine N-Methyllysine N-Methylproline N-Methylvaline N,N-Dimethylformamide N-omega-Acetylhistamine nornicotine Nudifloramide Oleic Acid Ornithine Orotic acid Orthanilic acid Oxaloacetic acid palmitic acid P-Anisic acid Pantothenic acid Paraxanthine PC 28:0 PC 30:0 PC 31:0 PC 31:1 PC 32:0 PC 32:1 PC 32:2 PC 33:0 PC 33:1 PC 33:2 PC 34:0 PC 34:1 PC 34:2 PC 34:3 PC 34:4 PC 35:1 PC 35:2 PC 35:3 PC 35:4 PC 36:1 PC 36:2 PC 36:3 PC 36:4 PC 36:5 PC 36:6 PC 37:2 PC 37:3 PC 37:4 PC 37:5 PC 37:6 PC 38:1 PC 38:2 PC 38:3 PC 38:4 PC 38:5 PC 38:6 PC 38:7 PC 39:4 PC 39:6 PC 40:4 PC 40:5 PC 40:6 PC 40:7 PC 40:8 PC 42:10 PC 42:5 PC 42:6 PC 42:8 PC O-32:0 PC O-34:0 PC O-37:5 PC O-38:7 PC O-38:8 PC O-39:2|PC O-19:0_20:2 PC O-40:6|PC O-18:0_22:6 PC O-44:5 PC P-32:0 PC P-32:1 or PC O-32:2 PC P-34:0 or PC O-34:1 PC P-34:1 PC P-34:2 PC P-36:1 PC P-36:2 PC P-36:3 PC P-36:4 PC P-36:5 or PC O-36:6 PC P-38:2 or PC O-38:3 PC P-38:3 PC P-38:4 PC P-38:5 PC P-40:3 or PC O-40:4 PC P-40:4 PC P-40:5 or PC O-40:6 PC P-40:6 PC P-42:2 or PC O-42:3 PC P-42:3 or PC O-42:4 PC P-42:4 or PC O-42:5 PC P-42:5 PC P-44:5 or PC O-44:6 PE 34:1 PE 34:2 PE 36:1 PE 36:2 PE 36:3 PE 36:4 PE 38:2 PE 38:3|PE 18:0_20:3 PE 38:4 PE 38:5 PE 38:6 PE O-38:5 PE P-34:1 PE P-34:2 or PE O-34:3 PE P-36:1 PE P-36:2 PE P-36:4 PE P-36:5 or PE O-36:6 PE P-38:3 or PE O-38:4 PE P-38:5 PE P-38:6 or PE O-38:7 PE P-40:4 PE P-40:5 PE P-40:6 or PE O-40:7 PE P-40:7 Phenylacetylglutamine Phenylacetylglycine Phenylalanine Phenyl-beta-glucopyranoside Phloroglucinol phosphate PI 34:1|PI 16:0_18:1 PI 34:2|PI 16:0_18:2 PI 36:2|PI 18:0_18:2 PI 36:4|PI 16:0_20:4 PI 38:3|PI 18:0_20:3 PI 38:4 PI 38:5|PI 18:1_20:4 pipecolinic acid Piperine Proline Proline-hydroxyproline Propionic acid Pseudouridine P-Toluenesulfonic acid Pyroglutamic Acid Pyruvic acid quinic acid Quinolone (R)-Butyrylcarnitine Ribitol Riboflavin ribonic acid Ribose S-Adenosyl-homocysteine Salicylic acid Salicylic alcohol Secoisolariciresinol Serine Serotonin SM 39:1;2O SM 40:1;2O SM 41:1;2O SM 41:2;2O SM 42:1;2O|SM 18:1;2O/24:0 SM d30:1 SM d32:0 SM d32:1 SM d32:2 SM d33:1 SM d34:0 SM d34:1 SM d34:2 SM d36:0 SM d36:1 SM d36:2 SM d36:3 SM d37:1 SM d38:0 SM d38:1 SM d38:2 SM d39:1 SM d39:2 SM d40:0 SM d40:1 SM d40:2 SM d40:3 SM d41:1 SM d41:2 SM d42:0 SM d42:1 SM d42:2 SM d42:3 SM d43:1 SM d43:2 SM d44:2 Sophorose Sorbose Squalene Stachydrine Stearic Acid Succinic Acid Sucrose Sulfapyridine Tartaric Acid Taurocholic acid Taxifolin TG 40:0 TG 40:1 TG 42:0 TG 42:1 TG 42:2 TG 42:3 TG 44:0 TG 44:1 TG 44:2 TG 45:0|TG 14:0_15:0_16:0 TG 45:1|TG 14:0_15:0_16:1 TG 46:0 TG 46:1 TG 46:2 TG 46:3 Isomer A TG 46:4 Isomer A TG 46:5 TG 47:0|TG 14:0_16:0_17:0 TG 47:1|TG 14:0_15:0_18:1 TG 47:2|TG 14:0_15:0_18:2 TG 48:0 TG 48:1 TG 48:2 TG 48:3 TG 48:4 Isomer A TG 48:5 TG 49:0 TG 49:1 TG 49:2 TG 49:3 TG 50:0|TG 16:0_16:0_18:0 TG 50:1 TG 50:2 TG 50:3 Isomer A TG 50:4 TG 50:5 TG 50:6 TG 51:0|TG 16:0_17:0_18:0 TG 51:1 TG 51:2 TG 51:3 TG 51:4 TG 51:5 TG 52:0 TG 52:1 TG 52:2 TG 52:3 TG 52:4 TG 52:5 TG 52:6 TG 53:0 TG 53:1 TG 53:2 TG 53:3 TG 53:4 TG 53:5 TG 54:0 TG 54:1 TG 54:2 TG 54:3 TG 54:4 TG 54:5 TG 54:6 TG 54:7 TG 54:8 TG 55:1 TG 55:2 TG 55:3 TG 55:4|TG 18:1_19:1_18:2 TG 55:6|TG 17:1_18:1_20:4 TG 56:0 TG 56:1 TG 56:10 TG 56:2 TG 56:3 TG 56:4 TG 56:5 TG 56:6 TG 56:7 TG 56:8 TG 56:9 TG 57:1 TG 57:2 TG 58:0 TG 58:1 TG 58:10 TG 58:2 TG 58:3 TG 58:4 TG 58:5 TG 58:6 TG 58:7|TG 18:1_18:2_22:4 TG 58:8 TG 58:9 TG 59:2 TG 59:3 TG 60:1 TG 60:11 TG 60:2 TG 60:3 TG 60:4 TG 60:5 TG 60:6 TG 62:1 TG 62:2 TG 62:3 TG 62:4 TG 64:2 TG 64:3 Theophylline Threitol Threonic Acid Threonine TMAO Tocopherol alpha- Tocopherol gamma- Trans-4-Hydroxyproline Trehalose Tridodecylmethylammonium Tryptophan Tyrosine UDP-Glucuronic Acid Urea Uric Acid Urobilin Urocanic Acid Valine Vanillic acid Vanillin Xylonolactone Xylose Xylulose METABOLITES_END #END