#METABOLOMICS WORKBENCH wongpuiyan28_20231210_012655 DATATRACK_ID:4495 STUDY_ID:ST003002 ANALYSIS_ID:AN004930 PROJECT_ID:PR001868
VERSION 1
CREATED_ON 12-30-2024
#PROJECT
PR:PROJECT_TITLE From clinical to benchside: Lacticaseibacillus and Faecalibacterium are
PR:PROJECT_TITLE positively associated with muscle health and alleviate age-related muscle
PR:PROJECT_TITLE disorder
PR:PROJECT_SUMMARY Sarcopenia is an age-related muscle disorder that increases the risk of adverse
PR:PROJECT_SUMMARY clinical outcomes, but its pathogenesis is unclear and treatments are limited.
PR:PROJECT_SUMMARY Increasing evidence shows that gut microbiota is potentially associated with
PR:PROJECT_SUMMARY sarcopenia. To investigate its role in sarcopenia, we (i) compared gut
PR:PROJECT_SUMMARY microbiota and metabolite composition between older persons with and without
PR:PROJECT_SUMMARY sarcopenia, (ii) performed fecal microbiota transplantation (FMT) from human
PR:PROJECT_SUMMARY donors to antibiotic-treated mice, and (iii) identified two specific probiotics
PR:PROJECT_SUMMARY for treatment of sarcopenia in aged mice. Metagenomic and metabolomic analyses
PR:PROJECT_SUMMARY showed that people with sarcopenia had different microbial composition and
PR:PROJECT_SUMMARY metabolites, and that fecal purine could accurately identify sarcopenia. After
PR:PROJECT_SUMMARY FMT, mice receiving microbes from people with sarcopenia displayed lower muscle
PR:PROJECT_SUMMARY mass and strength. Correlation analysis revealed Lacticaseibacillus rhamnosus
PR:PROJECT_SUMMARY (LR) and Faecalibacterium prausnitzii (FP) were positively related to muscle
PR:PROJECT_SUMMARY health in old people. Both probiotic LR, FP and their combination enhanced
PR:PROJECT_SUMMARY muscle mass, function, and fiber type proportion of aged mice. Transcriptomics
PR:PROJECT_SUMMARY showed that genes related to tricarboxylic acid cycle were enriched after
PR:PROJECT_SUMMARY treatment. Mitochondria density, muscle ATP content, NAD+/NADH, proteins related
PR:PROJECT_SUMMARY to mitochondrial dynamics and biogenesis were improved by both probiotics. In
PR:PROJECT_SUMMARY in-vitro studies, probiotic-conditional medium (PCM) containing FP supernatant
PR:PROJECT_SUMMARY or the combination of FP and LR supernatants enhanced proliferation of C2C12
PR:PROJECT_SUMMARY myoblasts, whilst LR PCM alone did not. The mechanisms of LR may be related to
PR:PROJECT_SUMMARY colon health improvement. Results showed gut microbiota dysbiosis is one of
PR:PROJECT_SUMMARY pathogenic factors of sarcopenia, and muscle-related probiotics could alleviate
PR:PROJECT_SUMMARY age-related muscle disorders. Further clinical translation is warranted.
PR:INSTITUTE The Chinese University of Hong Kong
PR:DEPARTMENT ORT
PR:LABORATORY The Prince of Wales Hospital
PR:LAST_NAME Wong
PR:FIRST_NAME Pui Yan
PR:ADDRESS 30-32 Ngan Shing Street , Shatin, New Territories
PR:EMAIL puiyanwong@cuhk.edu.hk
PR:PHONE (852)-35052756
PR:DOI http://dx.doi.org/10.21228/M8842H
#STUDY
ST:STUDY_TITLE The role of gut microbiota in muscle mitochondria function, colon health, and
ST:STUDY_TITLE sarcopenia: from clinical to bench (2)
ST:STUDY_SUMMARY Gut microbes produce metabolites in the intestinal lumen, which can travel
ST:STUDY_SUMMARY systemically to affect organs. Metagenomic analysis was performed on liquid
ST:STUDY_SUMMARY chromatographyâmass spectrometry (LC-MS) to detect differential metabolites
ST:STUDY_SUMMARY between people with or without sarcopenia.
ST:INSTITUTE The Chinese University of Hong Kong
ST:LAST_NAME Wong
ST:FIRST_NAME Pui Yan
ST:ADDRESS 30-32 Ngan Shing Street , Shatin, New Territories
ST:EMAIL puiyanwong@cuhk.edu.hk
ST:PHONE (852)-35052756
ST:SUBMIT_DATE 2023-12-10
#SUBJECT
SU:SUBJECT_TYPE Human
SU:SUBJECT_SPECIES Homo sapiens
SU:TAXONOMY_ID 9606
SU:SPECIES_GROUP Mammals
#SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS - NS_1 Status:non-sarcopenia RAW_FILE_NAME=NS_1.mzML
SUBJECT_SAMPLE_FACTORS - NS_10 Status:non-sarcopenia RAW_FILE_NAME=NS_10.mzML
SUBJECT_SAMPLE_FACTORS - NS_11 Status:non-sarcopenia RAW_FILE_NAME=NS_11.mzML
SUBJECT_SAMPLE_FACTORS - NS_12 Status:non-sarcopenia RAW_FILE_NAME=NS_12.mzML
SUBJECT_SAMPLE_FACTORS - NS_13 Status:non-sarcopenia RAW_FILE_NAME=NS_13.mzML
SUBJECT_SAMPLE_FACTORS - NS_14 Status:non-sarcopenia RAW_FILE_NAME=NS_14.mzML
SUBJECT_SAMPLE_FACTORS - NS_15 Status:non-sarcopenia RAW_FILE_NAME=NS_15.mzML
SUBJECT_SAMPLE_FACTORS - NS_16 Status:non-sarcopenia RAW_FILE_NAME=NS_16.mzML
SUBJECT_SAMPLE_FACTORS - NS_17 Status:non-sarcopenia RAW_FILE_NAME=NS_17.mzML
SUBJECT_SAMPLE_FACTORS - NS_18 Status:non-sarcopenia RAW_FILE_NAME=NS_18.mzML
SUBJECT_SAMPLE_FACTORS - NS_19 Status:non-sarcopenia RAW_FILE_NAME=NS_19.mzML
SUBJECT_SAMPLE_FACTORS - NS_2 Status:non-sarcopenia RAW_FILE_NAME=NS_2.mzML
SUBJECT_SAMPLE_FACTORS - NS_20 Status:non-sarcopenia RAW_FILE_NAME=NS_20.mzML
SUBJECT_SAMPLE_FACTORS - NS_21 Status:non-sarcopenia RAW_FILE_NAME=NS_21.mzML
SUBJECT_SAMPLE_FACTORS - NS_22 Status:non-sarcopenia RAW_FILE_NAME=NS_22.mzML
SUBJECT_SAMPLE_FACTORS - NS_23 Status:non-sarcopenia RAW_FILE_NAME=NS_23.mzML
SUBJECT_SAMPLE_FACTORS - NS_3 Status:non-sarcopenia RAW_FILE_NAME=NS_3.mzML
SUBJECT_SAMPLE_FACTORS - NS_4 Status:non-sarcopenia RAW_FILE_NAME=NS_4.mzML
SUBJECT_SAMPLE_FACTORS - NS_5 Status:non-sarcopenia RAW_FILE_NAME=NS_5.mzML
SUBJECT_SAMPLE_FACTORS - NS_6 Status:non-sarcopenia RAW_FILE_NAME=NS_6.mzML
SUBJECT_SAMPLE_FACTORS - NS_7 Status:non-sarcopenia RAW_FILE_NAME=NS_7.mzML
SUBJECT_SAMPLE_FACTORS - NS_8 Status:non-sarcopenia RAW_FILE_NAME=NS_8.mzML
SUBJECT_SAMPLE_FACTORS - NS_9 Status:non-sarcopenia RAW_FILE_NAME=NS_9.mzML
SUBJECT_SAMPLE_FACTORS - S_1 Status:sarcopenia RAW_FILE_NAME=S_1.mzML
SUBJECT_SAMPLE_FACTORS - S_10 Status:sarcopenia RAW_FILE_NAME=S_10.mzML
SUBJECT_SAMPLE_FACTORS - S_11 Status:sarcopenia RAW_FILE_NAME=S_11.mzML
SUBJECT_SAMPLE_FACTORS - S_12 Status:sarcopenia RAW_FILE_NAME=S_12.mzML
SUBJECT_SAMPLE_FACTORS - S_13 Status:sarcopenia RAW_FILE_NAME=S_13.mzML
SUBJECT_SAMPLE_FACTORS - S_14 Status:sarcopenia RAW_FILE_NAME=S_14.mzML
SUBJECT_SAMPLE_FACTORS - S_15 Status:sarcopenia RAW_FILE_NAME=S_15.mzML
SUBJECT_SAMPLE_FACTORS - S_16 Status:sarcopenia RAW_FILE_NAME=S_16.mzML
SUBJECT_SAMPLE_FACTORS - S_17 Status:sarcopenia RAW_FILE_NAME=S_17.mzML
SUBJECT_SAMPLE_FACTORS - S_18 Status:sarcopenia RAW_FILE_NAME=S_18.mzML
SUBJECT_SAMPLE_FACTORS - S_19 Status:sarcopenia RAW_FILE_NAME=S_19.mzML
SUBJECT_SAMPLE_FACTORS - S_2 Status:sarcopenia RAW_FILE_NAME=S_2.mzML
SUBJECT_SAMPLE_FACTORS - S_20 Status:sarcopenia RAW_FILE_NAME=S_20.mzML
SUBJECT_SAMPLE_FACTORS - S_21 Status:sarcopenia RAW_FILE_NAME=S_21.mzML
SUBJECT_SAMPLE_FACTORS - S_22 Status:sarcopenia RAW_FILE_NAME=S_22.mzML
SUBJECT_SAMPLE_FACTORS - S_23 Status:sarcopenia RAW_FILE_NAME=S_23.mzML
SUBJECT_SAMPLE_FACTORS - S_24 Status:sarcopenia RAW_FILE_NAME=S_24.mzML
SUBJECT_SAMPLE_FACTORS - S_25 Status:sarcopenia RAW_FILE_NAME=S_25.mzML
SUBJECT_SAMPLE_FACTORS - S_26 Status:sarcopenia RAW_FILE_NAME=S_26.mzML
SUBJECT_SAMPLE_FACTORS - S_27 Status:sarcopenia RAW_FILE_NAME=S_27.mzML
SUBJECT_SAMPLE_FACTORS - S_28 Status:sarcopenia RAW_FILE_NAME=S_28.mzML
SUBJECT_SAMPLE_FACTORS - S_3 Status:sarcopenia RAW_FILE_NAME=S_3.mzML
SUBJECT_SAMPLE_FACTORS - S_4 Status:sarcopenia RAW_FILE_NAME=S_4.mzML
SUBJECT_SAMPLE_FACTORS - S_5 Status:sarcopenia RAW_FILE_NAME=S_5.mzML
SUBJECT_SAMPLE_FACTORS - S_6 Status:sarcopenia RAW_FILE_NAME=S_6.mzML
SUBJECT_SAMPLE_FACTORS - S_7 Status:sarcopenia RAW_FILE_NAME=S_7.mzML
SUBJECT_SAMPLE_FACTORS - S_8 Status:sarcopenia RAW_FILE_NAME=S_8.mzML
SUBJECT_SAMPLE_FACTORS - S_9 Status:sarcopenia RAW_FILE_NAME=S_9.mzML
#COLLECTION
CO:COLLECTION_SUMMARY Participants were asked to bring home a bag of collection tools and instruction
CO:COLLECTION_SUMMARY flow chart. Briefly, the water ice pack was stored in -20 â home freezer
CO:COLLECTION_SUMMARY before stool was available. A clean plastic bottle and an oblate stick were used
CO:COLLECTION_SUMMARY to collect fresh stool samples. Participants put the ice pack and the bottle
CO:COLLECTION_SUMMARY into a thermal bag, and brought back to the hospital within 2 hours. Fresh stool
CO:COLLECTION_SUMMARY samples were separated into small sterile tubes, and frozen by liquid nitrogen
CO:COLLECTION_SUMMARY immediately. Tubes were stored at -80 â until use.
CO:SAMPLE_TYPE Feces
#TREATMENT
TR:TREATMENT_SUMMARY For LC-MS analysis of human stool samples, 20 mg stool samples from each
TR:TREATMENT_SUMMARY participant (n = 51) were added with 400 μL solution (methanol: water = 7:3
TR:TREATMENT_SUMMARY V/V) with internal standard, and vortexed for 3 min. After sonication in an ice
TR:TREATMENT_SUMMARY bath for 10 min and vortex for 1 min, the sample was placed at -20 °C for 30
TR:TREATMENT_SUMMARY minutes. Subsequently, the sample was centrifugated at 12,000 rpm for 10 min at
TR:TREATMENT_SUMMARY 4 °C, after which the sediment was discarded, and the supernatant was
TR:TREATMENT_SUMMARY centrifuged again at 12,000 rpm for 3 min at 4°C. 200 μL of the supernatant
TR:TREATMENT_SUMMARY was collected for analysis.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY For LC-MS analysis of human stool samples, 20 mg stool samples from each
SP:SAMPLEPREP_SUMMARY participant (n = 51) were added with 400 μL solution (methanol: water = 7:3
SP:SAMPLEPREP_SUMMARY V/V) with internal standard, and vortexed for 3 min. After sonication in an ice
SP:SAMPLEPREP_SUMMARY bath for 10 min and vortex for 1 min, the sample was placed at -20 °C for 30
SP:SAMPLEPREP_SUMMARY minutes. Subsequently, the sample was centrifugated at 12,000 rpm for 10 min at
SP:SAMPLEPREP_SUMMARY 4 °C, after which the sediment was discarded, and the supernatant was
SP:SAMPLEPREP_SUMMARY centrifuged again at 12,000 rpm for 3 min at 4°C. 200 μL of the supernatant
SP:SAMPLEPREP_SUMMARY was collected for analysis.
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME Agilent 1290 Infinity
CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)
CH:COLUMN_TEMPERATURE 40 â
CH:FLOW_GRADIENT A:B=95:5 V/V at 0 min, followed by 10:90 V/V at 11.0 min, 10:90 V/V at 12.0 min,
CH:FLOW_GRADIENT 95:5 V/V at 12.1 min and 95:5 V/V at 14.0 min.
CH:FLOW_RATE 0.4 mL/min
CH:SOLVENT_A 0.1% formic acid in water
CH:SOLVENT_B 0.1% formic acid in acetonitrile
CH:CHROMATOGRAPHY_TYPE Reversed phase
#ANALYSIS
AN:ANALYSIS_TYPE MS
#MS
MS:INSTRUMENT_NAME Agilent 6545 QTOF
MS:INSTRUMENT_TYPE QTOF
MS:MS_TYPE ESI
MS:MS_COMMENTS LC-MS/MS analyses were performed using an UHPLC system (Vanquish, Thermo Fisher
MS:MS_COMMENTS Scientific) with a UPLC BEH Amide column (2.1 mm à 100 mm, 1.7 μm) coupled to
MS:MS_COMMENTS Orbitrap Exploris 120 mass spectrometer (Orbitrap MS, Thermo). The mobile phase
MS:MS_COMMENTS consisted of 25 mmol/L ammonium acetate and 25 ammonia hydroxide in water pH =
MS:MS_COMMENTS 9.75ï¼ï¼(A) and acetonitrile (B). The auto-sampler temperature was 4 ââ,
MS:MS_COMMENTS and the injection volume was 2 μμL. The Orbitrap Exploris 120 mass
MS:MS_COMMENTS spectrometer was used for its ability to acquire MS/MS spectra on
MS:MS_COMMENTS information-dependent acquisition (IDA) mode in the control of the acquisition
MS:MS_COMMENTS software (Xcalibur, Thermo). In this mode, the acquisition software continuously
MS:MS_COMMENTS evaluates the full scan MS spectrum. The ESI source conditions were set as
MS:MS_COMMENTS following: sheath gas flow rate as 50 Arb, Aux gas flow rate as 15 Arb,
MS:MS_COMMENTS capillary temperature 320 ââ, full MS resolution as 60000, MS/MS resolution
MS:MS_COMMENTS as 15000 collision energy as 10/30/60 in NCE mode, spray Voltage as 3.8 kV
MS:MS_COMMENTS (positive) or -3.4 kV (negative), respectively.
MS:ION_MODE NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS nmol/g
MS_METABOLITE_DATA_START
Samples NS_1 NS_10 NS_11 NS_12 NS_13 NS_14 NS_15 NS_16 NS_17 NS_18 NS_19 NS_2 NS_20 NS_21 NS_22 NS_23 NS_3 NS_4 NS_5 NS_6 NS_7 NS_8 NS_9 S_1 S_10 S_11 S_12 S_13 S_14 S_15 S_16 S_17 S_18 S_19 S_2 S_20 S_21 S_22 S_23 S_24 S_25 S_26 S_27 S_28 S_3 S_4 S_5 S_6 S_7 S_8 S_9
Factors Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:non-sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia Status:sarcopenia
10-(beta-Dimethylaminopropionyl)phenothiazine 696.2875 1236.3405 656.0031 798.1197 1033.2019 244.4840 626.0490 815.0459 799.5058 1323.1660 2567.1142 1112.8637 731.3845 1750.4767 746.4511 287.9893 694.1651 211.5741 516.9939 819.4798 1324.4865 264.5806 824.5066 1324.9546 957.1905 771.0721 861.1913 1943.1631 183.2068 2567.2959 976.5313 726.1851 457.2104 1047.8791 970.0761 338.5377 3842.9695 1168.2698 1254.2797 945.5361 3548.4479 1548.1869 1526.0361 959.4608 838.9300 1045.4538 971.0364 765.1257 1053.9982 1066.1661 795.8876
10H-Phenoxazine-10-butanamine_2-chloro-N_N-diethyl- 7238.5349 8714.8716 6486.6282 8737.2695 4767.4976 1630.2542 6510.4348 6109.1212 3572.6818 753.3148 20506.2377 8847.9955 8800.2911 8677.3402 8076.7575 7367.3238 21202.3102 230.8248 10843.8973 5845.4113 9672.6241 44580.3788 7713.1711 7828.4918 8157.8833 6200.7005 554.6447 1903.8504 2490.3194 15877.1288 8340.8563 7052.6497 253.3004 4040.0911 5778.3711 4827.7675 6363.6115 7970.0508 3489.7868 1282.1792 13037.9238 321.6146 13295.0746 249.9874 7810.2274 9812.3443 5833.0401 6945.6540 5087.5573 6474.6962 8242.6856
11-Deoxocucurbitacin I 922.4716 1093.8466 5006.2009 2097.8624 3071.6785 762.8869 93.8148 2952.1855 12815.6968 6724.8333 1105.2237 2433.3368 4122.2957 1432.1884 2827.8649 3175.1703 1319.3190 711.1202 9043.7010 699.6829 5758.7582 747.9009 2855.9784 9671.3234 6653.7356 3419.6685 3117.4396 11073.4864 2915.7701 6785.3474 3828.5658 1797.2940 5997.9719 3731.8136 2911.3785 15390.9957 7756.2053 3236.1711 7545.5822 673.0286 367.2176 5257.4654 577.7613 2048.1072 355.0823 2217.7162 2339.3845 1552.6765 3552.7981 4016.2250 1062.9801
11-deoxy-16_16-dimethyl-PGE2 2758.5091 18284.7434 186.1881 11467.3434 953.1710 255.6342 3481.6442 1179.1023 1828.7990 15822.9920 5553.8380 882.6344 13333.2643 16743.2237 4324.6016 8720.8977 2246.4285 2700.6443 3650.1574 2401.7545 10345.2657 6646.1657 136.9085 839.8895 2174.0960 4692.6451 6953.8968 2022.1605 8260.2759 7450.1184 3800.3845 2688.8639 671.9712 2958.7955 1690.0794 1575.5554 1432.0919 3236.6371 2104.8988 8600.1692 4616.0516 4674.5228 15616.3055 7437.2082 14416.0502 7804.0710 13901.6655 1158.5962 4075.6143 1555.1294 2135.0084
1_1-Dichloroethane 324575.6208 420408.0895 455188.7796 387026.2256 409952.7383 293061.4394 457481.6829 474930.4042 483572.2791 356959.9349 412888.6817 372688.6760 478278.8470 374288.4211 350665.1660 335996.7216 345548.2551 437826.4005 439191.0758 496307.5265 428861.5414 432450.9605 566615.4383 275650.7318 419691.9116 671483.3282 414984.6544 228674.3026 280223.1586 326682.6502 424668.8515 492117.2946 157692.4335 335251.7787 321752.0610 486521.8893 329964.4829 307054.5111 336768.7167 613295.7651 288654.5675 392078.4994 414541.1696 484246.3011 447712.7256 925568.3167 406886.1079 485044.4334 274719.0880 2157332.4550 374865.1784
11-Ketofusidic acid 1398.6742 2970.3283 145.6700 2124.1683 1719.3070 1731.2791 424.6368 2423.8959 8703.4535 1560.1616 1844.0123 2130.5222 2061.5990 4212.7181 1912.1978 128.6866 1725.2042 138.6825 14218.5754 130.7627 3789.9828 1993.1701 1266.1090 1223.3103 141.7680 761.2638 4876.7519 4189.1545 2307.8895 2404.8297 2573.5557 1530.3418 2549.8911 1979.9067 437.3695 4709.2617 7678.1356 1673.5534 3532.7195 1852.6005 707.7551 3895.9310 160.4356 694.9036 1743.3168 1840.0064 4541.1109 1919.7888 2826.8249 381.7885 162.4878
1_1^-(Tetrahydro-6a-hydroxy-2_3a_5-trimethylfuro[2_3-d]-1_3-dioxole-2_5-diyl)bis-ethanone 3403.9277 4102.7369 4403.0936 13511.3319 1248.7999 4944.7558 4915.5217 5518.5799 3523.4684 7072.7709 6922.8621 1230.0774 2074.8626 6982.0882 4476.3168 3963.9370 8616.4827 6097.1099 3169.9532 4360.3275 11214.6430 5069.6056 4905.5420 10167.2612 16042.2065 10756.5162 1537.0942 12653.9855 10194.9166 5873.4256 6946.9662 4065.9993 10696.6736 5524.0936 12967.4297 5264.1046 11539.0715 2365.7731 6114.0680 3197.5021 5749.6904 5553.3817 4747.0463 8851.9660 4667.1379 3578.6041 6492.2141 4573.6259 6546.4968 10987.2774 4572.3005
12_13-DiHOME 19818.7851 6779.8768 9465.4241 23538.1493 22045.0582 2106.5657 5051.5961 3556.8049 6787.5773 39898.1515 10579.9607 7696.8821 10930.6103 8825.6225 9414.9794 4177.1762 4538.5159 5399.3647 15490.2099 4412.2234 3522.8870 29295.9127 5392.7141 4287.6170 28941.3472 7544.8473 24067.3515 4606.6860 16592.7739 8805.1750 3748.9686 13299.9219 7508.7036 2477.6437 5881.7258 7711.8584 12188.1570 4559.6257 5419.3175 7200.2197 4811.1926 14082.4994 10185.5974 4917.6829 8200.3913 2456.4706 14497.7999 3070.7358 7628.9314 13899.1865 14317.1607
1_2_3_4-Tetrahydro-1-naphthylamine 668.3229 1288.3072 1649.6709 1669.2582 1392.2049 1716.1843 1804.2910 4279.2860 3038.5189 518.1859 1222.0063 1587.9437 1437.5236 1889.3276 1922.4828 183.9237 187.3071 1975.8080 1493.4078 1375.9085 1173.1228 199.4028 2099.4206 5280.1843 205.3133 1969.3371 1421.6174 2065.8714 4476.8883 4393.8770 3311.2028 4396.4885 3046.2689 1151.3518 209.4391 1284.3196 1611.8884 1593.1735 458.6661 1261.6996 940.0270 778.3803 1453.0018 1306.7601 1686.9939 5538.5054 245.5730 323.0370 630.0388 1266.2864 1726.4075
1_2_3-Tris(chloromethoxy)propane 89033.4770 84147.6988 84770.4013 85446.8599 87105.7619 87749.9619 84879.3004 86437.5090 84862.5522 84958.9405 85619.8904 86478.4295 81537.3310 81541.3253 88132.6307 80893.2453 87658.0894 85793.0448 81386.0605 88337.5817 81809.8758 85329.7751 87201.3543 83795.2690 81654.6554 80162.6584 80453.9555 79459.4001 81446.2305 76630.4988 79039.8572 79168.8612 77564.8337 80401.1470 80714.6468 79553.3737 74704.7812 76818.8058 78444.5857 77749.1185 75946.8094 77812.6552 75846.6062 77619.8512 81359.5947 83413.9559 76868.0872 83130.3639 83036.6372 82151.1114 80858.6964
1_2_4_5_7_8-Hexathionane 577.9389 304.8472 559.9565 633.2882 277.5201 556.9187 480.0688 543.2521 568.9781 761.1058 888.7699 370.4901 411.7731 748.2162 338.0044 253.0249 599.5797 368.2807 401.7765 156.6589 326.8669 379.9500 365.2790 224.0740 515.9188 632.9738 79.3801 364.1162 294.8058 185.8477 466.0451 670.9164 354.5146 538.0454 439.8087 471.9589 504.9940 407.5360 373.5566 261.1563 436.0420 180.3816 292.2123 507.3520 501.8050 672.6287 186.4181 921.5360 353.9582 86.4566 284.9096
1-[2_4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxy-3-[4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]propan-1-one 6734.4473 9877.3198 5015.4311 6649.1048 2712.3486 4147.4239 477.4990 8586.8519 27236.4950 8095.6376 8944.1870 398.7295 2552.5673 13293.4641 4947.4681 3825.5180 4532.3959 5123.2425 11698.5271 4449.4345 9612.2118 7323.6514 5040.6265 19874.4581 22709.3365 2559.0660 5170.6584 11730.0361 5340.5015 7759.2154 15523.8956 9828.2026 10136.7966 5949.5894 11737.3606 7292.9868 11259.5964 5773.6757 11420.1354 9482.0451 11445.6022 9138.7738 8656.4454 9913.8330 808.4483 7346.1195 8481.1661 833.3706 8580.8386 9170.9004 366.4016
1_2-Bis(chloromethoxy)ethane 152.9542 210.6338 138.1960 459.0679 392.9838 319.0480 467.7527 139.9486 276.1498 375.3316 323.4153 326.4672 569.0695 328.1898 133.6299 158.6320 161.6238 485.3475 220.9695 666.2573 296.6090 307.6598 488.4995 355.3958 502.5407 378.2646 467.8123 327.8621 631.3242 437.7938 686.7179 141.8191 228.9356 450.4862 383.6937 846.1367 432.1318 636.6631 509.4146 340.8686 613.0833 436.8325 490.5085 269.6014 308.0632 592.1070 209.5228 312.6686 136.0835 183.9696 781.7081
1_2-Dichloroethane 1089.2959 217.7526 204.3176 434.3249 574.4479 601.4551 1356.7495 338.0763 2313.9447 1136.4425 2977.4414 1089.7780 1558.3427 2093.4377 1388.5390 1513.6928 315.0081 1693.3023 1706.6765 417.2044 2064.9880 1101.9317 1085.4257 4617.7358 6653.3546 206.8774 3671.4847 2026.4916 203.9939 1010.2214 1668.9753 226.2203 604.0247 2009.9809 213.3940 1708.7931 834.2510 1725.5659 2036.3482 5103.3591 1378.1732 8682.6240 2738.1405 2010.6867 464.3075 3415.4006 2425.2676 1147.9834 1619.5544 2713.7638 1142.4539
1_2-Dimethylimidazole 6451.0554 11299.2374 6533.7704 7893.9097 10367.6735 543.9332 4856.7185 3903.5647 7641.3796 47171.4627 9549.9629 1393.2678 7399.0472 16003.3975 542.9784 1143.7232 6243.2596 8153.0749 17956.0085 421.5777 14705.6054 3123.6496 5995.0078 10863.2745 2133.9336 16159.5695 619.1374 6678.7944 4788.9844 480.2265 5888.7361 7900.5745 1568.0722 12440.8784 5355.5809 8925.5850 49349.4618 9421.3127 4455.4161 4198.5983 962.8985 9953.3314 9155.5004 6371.4788 5085.0511 3108.2744 9198.1710 4796.2001 11338.1016 5691.9433 547.6819
1-(2-Fluorobenzyl)-4-(methylsulfonyl)piperazine 120.2472 1619.2886 1219.5793 367.2530 1986.2039 1309.6072 1152.5688 133.0925 1240.6402 2682.7588 2547.8864 1233.4191 1146.1092 1556.7039 1217.4277 8154.3632 1132.1181 1512.6368 138.9646 1359.3955 798.9211 255.0584 1067.6671 857.2830 2186.4613 132.0654 123.4625 144.4211 1611.3816 4088.2652 1381.6355 1042.7075 1877.9847 1156.9114 986.2561 464.5390 2274.5658 1770.7299 1181.6540 1624.1400 3587.7325 1606.0911 1788.3749 960.2647 1040.2035 126.1583 1222.8645 403.2094 1306.4566 1119.9729 937.9867
12-HOME 19085.7639 4885.2537 3956.3835 33382.4754 4327.5878 608.8597 12212.4115 647.1877 3389.0754 7168.8620 1351.4185 2599.7354 12469.6634 218231.3596 7403.1628 101157.9942 2345.2092 1068.7253 4439.7816 1241.6252 5240.7109 32460.5656 5722.1769 754.0250 4275.6380 133223.1553 8987.5087 2569.2971 68352.6677 2859.1218 12936.4348 3574.9539 687.3992 1587.5330 4769.7139 2534.3085 2280.7528 1921.4948 1758.2126 1130.8458 5954.2776 2575.2826 3140.5006 1257.3194 15259.0443 2905.6488 12155.1756 2357.1155 11280.8549 2797.0776 7166.1034
12-Hydroxydodecanoic acid 34124.2286 37817.2606 40335.3063 37272.9513 38809.1485 38392.5484 35248.4911 37570.1974 22178.9984 27186.0807 31906.6986 39171.5947 29710.4304 16631.1451 47247.1746 39580.6230 34590.2083 7317.6517 37078.0384 30345.9973 28162.5782 42408.1293 41814.1448 28278.3057 34927.1469 33563.4997 31110.4479 24841.4363 13594.6635 35070.0870 27634.9755 34608.8188 14848.0156 33728.7780 30499.8508 38162.2085 31034.1879 27959.9849 52287.6439 54056.1326 33866.3728 22744.9087 37544.0719 39647.9940 41041.2898 28714.5229 30759.9102 32699.6420 41396.7949 36999.7060 38470.5221
12-Hydroxyoctadecanoic acid 316518.2650 792774.6526 116305.4375 799896.4569 216574.6687 109413.2554 278390.2695 97431.4539 315910.7048 572744.5553 233702.5737 257693.6797 829906.4615 682819.4886 318334.4143 855553.7241 170247.8143 207436.6009 204828.1107 154572.1905 388836.9686 660011.5281 65452.8793 55509.5918 219099.5242 426451.9049 279286.3737 241306.3779 737182.4575 510130.1949 337307.7876 164078.7542 54950.7585 239549.1887 208229.8920 56977.0279 86299.2792 251583.1662 86632.7745 237870.7929 172356.2405 168408.7171 390168.3000 354324.8036 451537.6500 525330.9684 503146.5714 133570.8221 126529.2644 74521.7860 299963.6716
12-ketolithocholic acid 44269.7084 25368.1398 12318.9756 10106.9263 44092.9257 7216.2111 1666.5072 27960.6688 17771.9232 27179.8527 103426.7284 1031.3969 26121.3421 28366.9969 1221.7915 933.5030 13095.8089 27908.7697 69923.4372 20645.4324 29177.3686 24928.9731 9923.8000 41296.6572 98942.0820 10929.9762 19187.7526 74802.9522 9216.7079 15696.7781 21902.0867 15110.9627 67270.1025 32256.1993 14592.5473 18022.0264 38794.8020 49315.6846 76223.6619 56148.9763 43634.7003 44532.0034 6492.8289 26184.1272 5186.0551 14385.9376 49932.5144 19156.5749 14520.6589 9155.8863 9151.2450
1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol 1930.9352 1124.5320 921.6852 1187.6447 1413.8536 1174.7534 1031.0082 1794.2537 1869.7784 1056.9128 1250.0998 998.9331 2708.1418 1278.4264 2017.9917 675.8558 1936.8268 1182.4060 1274.8492 2227.6801 1073.5914 1768.4521 2197.0548 2070.8427 2061.4245 1486.4828 1663.5489 1574.0101 1798.2898 1027.8680 1803.4028 1727.1250 1316.9045 1956.0548 2243.9903 1855.5564 1246.2744 1199.0059 1073.1654 1387.2477 1274.3359 1324.9242 1573.5720 2368.6081 2013.8766 1991.4842 1911.3898 1345.4149 1707.5453 1208.2323 1924.3444
12-Methyltetradecanoic acid 8578.1090 6722.2957 6050.9152 4532.0197 5389.2767 2705.1915 1442.5497 6997.7478 3504.9495 3986.9003 4766.0980 2057.9733 11235.4165 1420.1228 1775.0435 1489.9699 4140.1547 10447.2023 10020.8988 4175.9107 1116.6437 6119.1914 720.0794 8331.6767 5645.2211 5119.4271 6225.4361 6851.8354 1391.8365 3703.4343 4640.7376 5013.4284 3069.2797 2826.7191 11980.7182 5831.2272 7697.8414 6731.0685 3579.9884 3787.3715 2520.4510 4779.5664 5318.3645 6482.4308 5710.1525 5679.8136 4518.9845 4772.9491 12893.8331 8674.0747 6744.7537
12S-Hydroxy-5Z_8E_10E-heptadecatrienoic acid 15736.2631 21335.0122 15215.4364 7426.8706 37502.2524 14595.5582 17559.7985 52260.7591 53374.3511 23726.3834 10372.8534 8967.2867 19278.0290 65705.3819 3470.3420 26041.8529 17483.4225 4736.8534 8972.8018 7354.3592 14102.4014 25233.4703 8445.9620 106086.5165 19402.3199 42275.3227 29884.1853 45827.1319 47341.8788 69849.7743 211880.5983 33374.8221 45434.9018 7471.6483 25543.1831 15807.9829 18002.3110 53200.5392 9862.8407 6676.0058 19065.4352 15598.6722 2929.6528 5052.2532 17628.7021 113438.1511 74992.5851 17048.0404 39409.2048 17627.1465 40332.8846
13-(2-Methylcrotonoyl)oxylupanine 716.2205 2401.9348 458.5016 375.7235 763.1599 843.0103 823.3576 1036.4335 2251.0645 1694.0720 975.3976 339.7123 889.1787 741.9821 783.2325 653.1748 882.2299 349.3480 1039.0675 122.9032 593.3401 1147.7576 314.0852 2464.6184 2150.2994 1861.1761 493.2893 1249.7561 1208.5761 340.8031 1939.0802 313.2369 674.2766 828.9880 1188.1286 903.9869 1112.0717 649.8265 746.4601 2173.0334 1118.4465 1248.1001 901.3786 121.0029 897.2385 673.1693 1271.2721 1711.0906 989.9009 403.5315 813.7640
13-(3_4-dimethyl-5-pentyl-2-furyl)tridecanoic acid 800.5516 5864.8020 330.1216 713.8044 5971.3293 5321.7264 2009.3768 23.3325 462.0985 8063.6096 6432.1963 7279.9970 12765.5291 22328.1312 8722.9925 825.2154 958.5751 729.4160 148.9017 288.1711 152.3033 33405.4387 182.9218 3111.1757 31.0170 13030.2363 2375.6427 375.8854 1196.3980 1143.7274 2736.4721 230.9797 2929.1157 627.4618 192.1372 788.1209 2019.7363 3704.0173 671.8772 1013.0356 2745.1017 300.5262 573.5183 323.9183 2773.7874 618.4512 8058.9330 1510.1711 641.1425 2524.9669 378.2774
1-[3-[(3-Acetyl-2_4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2_4_6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]butan-1-one 1109.1704 2931.2510 3691.4076 2885.5503 2306.8268 429.1019 1541.2457 2522.6803 7251.1898 5024.7385 312.9428 1959.7994 2625.6319 12157.0597 1805.8517 1085.9219 1215.4899 2912.4904 4156.3658 1761.2213 3955.2250 1366.4289 1146.8309 8607.7499 5710.6215 552.2798 2450.4392 4929.5662 281.2002 6002.1374 3503.6722 2565.7927 4419.9587 2959.9541 2049.3423 2511.7263 5549.0311 3260.7026 4409.8760 3075.6309 8309.7305 969.0573 3674.9281 3533.5018 387.0547 5687.6025 972.9426 151.7748 3895.3173 3411.5400 1233.4864
1-[3_4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate 6662.1009 522.8870 4988.6326 1804.5931 2748.3892 2129.0134 11549.9196 351.2102 903.7029 1390.9721 1377.7959 3832.0939 368.8490 2187.2434 8561.5646 1158.0229 4181.3187 2108.2074 1761.0804 3498.2729 1737.6883 349.5650 1330.3512 1447.9030 2439.2452 1910.3770 376.3504 625.4088 2206.3568 325.3565 2504.4306 3284.2160 1715.0007 2384.3786 2176.1972 1216.0773 2066.7180 1817.6951 1750.4139 1538.2777 2035.3733 1874.9668 2020.1000 1781.3743 1647.0552 2682.4022 1804.0148 5343.4622 356.4681 2267.3194 5856.6277
1-(3_4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1_3-diol 4872.5438 1604.1547 203.2988 2622.3527 8795.0499 756.8459 201.1768 280.3706 6003.1300 996.8267 3436.5730 11059.4425 5609.8772 14714.0169 727.8546 4009.5294 3248.0044 3129.9644 4810.2754 1374.6471 3997.8528 3133.2296 2860.3356 3590.5411 475.7633 2181.7359 2935.5154 452.5428 6783.5911 1415.0229 1275.8973 2907.6322 2934.6479 9789.6718 1650.7909 3094.9349 4627.0145 3029.4962 2845.9791 3004.1521 3966.7759 401.9475 3114.5786 3184.6883 2794.8407 2378.6953 9004.1762 2184.2037 2573.2108 227.0116 1022.7102
1_3_5_6-Tetrahydroxy-7-methoxyxanthen-9-one 2143.2492 4861.6733 227.4840 3482.9910 119.0958 3758.0214 2217.9768 3073.5902 1194.0148 1215.7748 4529.9779 3567.9899 134.4569 3236.7071 2224.0366 985.0954 791.4136 2531.7274 13009.8145 2189.6166 12614.7943 571.9222 2002.8718 5690.0620 1180.7075 3890.0581 2578.5166 2229.9702 660.3331 11019.2525 908.9951 2038.8707 8057.8558 2824.6694 2868.2692 2370.7989 13261.0117 1120.2759 3604.6267 2631.1107 12386.3232 3261.6743 4512.1322 4501.1494 2333.1930 3316.8181 2738.1521 2584.0531 11367.4917 10096.2335 362.6785
1_3_7-Trimethyluric Acid 9613.8419 5390.1013 270.4840 28883.2895 580.9331 1453.7786 666.7052 2136.5355 14288.1946 1178.1033 10408.4054 1499.0311 12258.6088 16528.0250 11716.0443 9659.3443 1153.1210 39224.3702 7324.4272 10989.1434 238.1340 19826.0369 9899.2964 14387.5523 19093.1535 15434.3681 13298.3951 13798.8890 5813.0042 9759.6810 11696.1300 12994.1426 28709.6783 1667.1693 13214.3890 6458.4600 4402.9147 5797.1179 8856.6113 3004.3157 427.5420 2606.2885 119261.1289 60363.0287 836.4188 131.9194 10357.2871 13827.2167 58878.9878 19513.5884 10570.7580
1_3-Bis[3-(4_5-dihydro-1H-imidazol-2-yl)phenyl]urea 4062.8105 5558.3843 588.5712 6211.0376 24728.8197 6230.3798 589.7744 5387.6841 7121.5614 22980.8115 9096.3233 5638.1817 6844.0223 22890.5860 3230.0838 8988.0669 5251.5677 829.8885 8671.0885 8905.0910 5440.0847 10098.4190 4920.9809 3543.2993 2642.5696 6843.4976 5788.0110 11892.0706 11348.3019 8309.3177 2227.4701 672.9462 3079.2381 10850.8456 1179.7648 651.9068 4323.4757 1610.6913 2111.6674 430.7073 6244.6695 635.4463 6802.9169 8617.6479 9660.2261 13914.6959 12465.7002 10724.4893 624.5001 8548.3491 7165.3308
1_3-Bis(4-ethoxyphenyl)thiourea 1064.3963 873.3181 635.1142 2556.3484 1086.4788 1045.6801 151.8556 1238.7311 1337.2591 1282.3882 2499.9828 1514.7754 126.9709 1027.7905 566.9631 1096.5304 976.2518 851.7666 3199.8992 845.3747 3613.0290 620.5826 824.0262 1441.7498 3137.4991 558.5656 848.1229 3890.5158 1271.3963 3605.4853 1246.8473 1165.0040 1171.4000 1173.2561 1154.4408 1508.5948 2656.4363 1346.7739 2012.3710 597.0533 5000.9209 882.7512 1518.5938 2449.5488 865.9542 1291.2408 1083.3061 991.8943 2674.6701 1449.3564 847.4011
13-Deoxytedanolide 21778.3472 137.0831 11394.5284 9137.4658 4017.3331 13518.4431 17558.8304 8147.8469 30713.4709 5617.7275 3099.6803 1715.6415 17097.3913 19899.4037 1471.7336 20480.3886 5572.1317 1752.0942 5192.9575 13270.4011 17391.6176 8941.5261 19779.0521 158833.6166 18394.3897 15423.1063 146.6267 563.9651 22351.2594 11133.3476 24272.2297 16580.7967 48748.6279 1711.8511 13804.6811 4379.1627 3943.5898 17200.3659 7827.8640 2493.7863 15802.4224 16121.4273 1565.6569 5190.0540 3707.8144 20227.1009 24287.7530 19062.7563 23599.9618 3093.2911 10172.4228
1_3-Diacetylpropane 7375.9678 4272.0115 323150.2402 731.4460 154603.2519 292865.1855 167390.8738 49283.0841 11861.7453 540.4214 539.3715 53021.4075 18914.7124 3213.4467 50923.5087 52476.8199 2999.2300 24661.4280 1119.5834 35982.8378 3060.2391 2606.3611 1731.0647 4819.0273 33997.2716 103.1899 176187.0423 28858.6348 55113.6554 58.9259 31079.4728 52696.2962 53.1904 4197.5160 342241.8973 3579.8868 287.1348 8396.3713 808.7932 1642.2491 755.6532 2384.2092 29865.2782 18961.1479 16113.7324 9691.5581 6208.9193 328163.5797 1640.5318 1449.8704 20189.4002
1_3-Dimethyluric acid 5297.9973 20530.4793 5373.6683 911.9449 1480.8385 13253.5944 6208.0562 14799.3700 6166.7195 7918.6273 1455.4910 2286.8443 283.0554 730.4464 5239.8818 6384.1339 5411.5828 8814.7629 10380.9498 4923.5148 972.8259 7195.1447 5791.2520 8865.9981 6450.9637 1497.8311 11259.8899 3995.2372 12210.4250 12052.0979 6780.3968 5659.8188 12485.3016 5886.4041 611.6131 6395.3032 18686.0180 27972.0378 38630.6302 11327.6389 13732.1382 16489.2599 7693.6668 1413.7486 4432.0879 2858.1141 6421.0281 1747.5225 8817.9613 7724.3582 4936.9207
1-(4-Bromo-3-chlorophenyl)piperidine 1212.1728 1246.6505 972.2101 294.5701 952.9219 1222.5944 1135.8042 1821.9578 1016.7995 504.9179 1230.1426 1140.5909 1025.8850 1630.6687 1230.4416 2803.1847 1420.1325 1080.0583 478.1961 953.0695 1164.3192 957.9028 1242.8430 1269.4594 1189.2535 1045.3909 1461.3732 1345.5221 253.7011 610.5910 1081.8524 892.4841 1590.6670 2425.2482 947.4996 1437.1512 1027.2819 314.9601 1283.5047 1311.6124 2201.6743 1035.5891 1339.8149 857.3472 1015.6143 1275.2960 1132.1988 972.1889 1805.7751 1215.7473 212.5063
1_4-Dibenzyloxybenzene 3935.6228 372.4450 122.7782 174.7770 179.1297 1022.1345 234.2298 111.6785 183.6652 198.9892 318.9837 277.5312 2102.2945 3392.5606 11555.5932 121.2326 208.5486 129.4830 111.1965 3216.4364 1099.7273 58.5525 386.3620 175.9455 537.1328 254.7161 646.3553 260.8098 193.5092 305.9271 425.0955 125.4448 440.1793 489.8776 771.7570 249.2557 195.3893 108.3124 83.1906 140.3726 607.2840 132.4188 432.0915 682.4233 139.7916 218.8823 224.3246 173.1687 194.8579 132.1197 687.3956
1_4-Dimethylphenanthrene 1468.0506 1814.3548 1747.1763 2120.3791 2004.6484 1398.8937 1656.8117 1861.9107 1504.0998 2070.6850 2068.2684 1612.8783 2290.0369 2057.7909 1788.1151 1792.5572 2402.2810 1778.5071 1949.9777 1970.7947 1835.1499 1934.7755 172.2791 1926.4977 1871.3895 1628.1653 1915.0136 1562.1303 1850.7088 1517.5404 1908.2506 1377.5922 1839.1612 2097.4319 2442.4391 1890.7058 1486.9032 1744.2467 1711.0725 1924.6857 1196.3635 1242.1905 1848.1740 3446.3768 2168.8968 2141.6936 1583.6806 2051.0129 2083.3424 1906.6886 1945.2083
1_4-Piperazinediethanesulfonic acid 1486.3043 324.4938 782.2041 330.9792 753.8318 297.1825 883.9461 695.3036 1066.2461 190.0813 396.9213 655.5517 1003.9881 152.8556 737.0040 1056.1179 295.5749 306.3982 813.7082 1919.8038 725.3904 307.1364 1022.5890 1500.6460 1160.4751 1890.1966 728.0830 715.8423 1872.4223 125.4504 345.0021 1337.6201 590.2993 629.8198 1985.4619 761.7388 170.3520 621.9548 495.9240 405.1353 800.8844 161.1756 343.0465 588.7104 581.4392 1509.1591 2543.4826 1426.8436 613.0269 917.5518 833.2188
1_5-Anhydro-D-fructose 4821.7097 5660.4846 9129.1283 2599.5774 11172.2025 9354.2773 5418.1101 6453.9748 2109.1775 7645.8794 4925.5732 17066.9603 5684.1372 1248.2657 766.1669 1577.0281 1721.6694 19885.6474 2614.6690 25286.2842 7929.7452 2389.1326 2779.1710 7334.1424 2576.0248 3188.7223 6563.6455 26309.5653 9207.1061 37847.2137 10818.8317 6936.6350 8075.9499 1594.9864 4112.5920 5291.0962 16405.9889 14048.0962 21654.8304 3533.6944 2765.5804 73610.1364 3984.1211 2186.7321 1804.5525 39595.1160 4931.3134 4006.0362 4612.1055 5787.8508 2399.2980
1_5-Isoquinolinediol 2473.0872 318.9504 3032.8083 2230.1918 2312.7355 2676.8516 905.8243 867.6140 8623.1576 334.1366 1896.6619 361.4614 3420.4583 2443.8555 3845.4541 2800.1576 5347.8676 2484.1235 3741.7394 3085.1110 1325.9972 663.5838 3207.1655 4312.0408 300.9215 2321.0295 2375.6872 2579.4087 2406.0239 1854.1844 2995.5576 347.8913 2544.6638 1614.5125 2999.6065 433.2428 7711.0937 1910.0778 4930.2865 3236.5224 2603.3138 2526.1776 7627.7929 733.4022 11031.5150 3894.4923 2855.6145 3026.6232 2028.7879 2404.3048 6457.0568
15-OxoEDE 65022.1378 123.8939 819.6001 57740.1309 35771.5756 682.0718 4928.2684 15199.7101 10418.9591 113.9097 119.9840 38716.7870 746632.9638 53315.8059 89056.3529 83707.4928 40447.9702 1547.7893 136.8522 119147.5837 135.6572 5962.5321 82459.6443 123.9115 63446.1683 389.9773 29115.3574 35717.5327 2632.0235 118.5522 75423.7760 9505.1386 28975.7372 96710.5448 5385.3153 28795.7986 152033.9257 504.6095 43008.8666 175.2876 50565.8081 406.2546 279.6114 48348.8924 74776.6428 105221.8756 3498.5979 1252.5965 102.3060 29805.5420 81614.7562
15(R)-Pinane Thromboxane A2 45201.0176 274763.6236 12250.5791 28707.6762 43224.3785 40746.7133 30550.1370 112363.8467 7740.5304 255664.7400 180925.0739 5701.1952 80918.1053 287643.9961 4688.6692 81005.4770 40286.4039 66797.7265 169519.6913 8041.9281 262335.9001 235689.7448 25673.0660 121586.2524 182747.5976 38913.7144 53514.0728 525512.9653 8333.5056 76431.7643 3799.5045 23352.6517 511986.0487 77762.3065 20027.5924 54763.4803 255880.3991 94258.1786 297755.3042 120017.8369 240021.0579 275257.4169 41055.1455 153812.9523 2443.6971 17570.4071 52464.5572 1582.5590 120325.7049 26014.2501 32307.8657
15(S)-HETrE 3850.1559 8086.8784 4865.1929 4316.4320 7057.5339 6603.1494 1509.2337 4791.7107 9822.7892 6056.6658 6802.7430 9942.8803 10279.4129 1273.0925 15190.4645 7098.4872 5391.7928 11106.0122 5180.4073 14590.3670 4818.2597 6622.5533 7693.5793 5626.0955 4519.5896 2007.2216 9049.9318 1493.7145 3113.2645 11201.3970 2658.1183 6758.2616 4986.4380 8378.0063 2751.9091 15028.1513 2977.5599 4829.9093 4333.1105 5274.7900 4740.1445 3437.3646 2622.3488 3427.5530 9091.1965 2295.1472 4460.7109 14213.1690 7358.3410 2015.3835 10224.6508
16alpha_17-Isopropylidenedioxy-6alpha-methylprogesterone 1820.4883 125.5283 515.1595 698.5329 1708.9736 971.9782 2067.2428 1351.1121 2202.6333 126.2960 1457.8109 1916.0345 1178.1152 717.5674 2030.9064 297.3636 1918.4835 1952.6022 285.3674 1680.2574 571.7904 540.0788 927.9488 107.2370 1105.0035 843.2915 2108.8306 1020.4398 728.4818 322.2436 1044.9061 1615.6851 232.4657 1666.0423 1618.6831 1130.3089 591.7309 1185.2743 384.7709 1224.0776 802.3651 716.7622 1089.5450 1931.3623 802.2182 692.0574 169.5355 1079.8495 987.9785 1033.0077 1843.9879
1-(6-Chloropyridin-2-yl)piperazine 324.7832 1021.9155 1197.6242 763.4405 1698.9311 344.9972 1028.2661 732.3670 1358.2710 2677.0015 1779.1150 3527.1796 1332.0716 2029.2367 147.6617 338.3435 1271.2783 913.4591 283.0754 801.9989 323.5308 2880.0337 1047.1581 1406.3698 777.0216 2630.9336 1006.9312 1190.1194 1078.7718 1727.4416 1223.5110 155.1223 723.4198 1241.8172 1408.6906 584.1945 2381.3390 1015.0837 354.9859 907.7744 1740.8331 727.4407 333.4744 540.2542 1166.8439 1278.5059 5466.9714 131.4338 1146.4420 1901.7843 1174.3587
1_6-Dioxacyclohexadecane-7_16-dione 5924.2760 4633.9820 1233.8602 1371.9482 4657.1227 4423.4442 3275.3144 3280.7875 2222.5738 1505.2955 23898.1075 6566.8560 1766.2666 376.8097 3824.7914 6433.3876 2572.8208 2194.0967 5489.8388 1832.1907 3484.0968 5515.2546 603.5657 7972.0721 25132.7951 3956.3644 2291.7195 3504.8101 3425.1521 702.5096 3926.3384 8380.3427 2834.4920 9062.6698 13845.3756 3085.1078 1564.4618 2576.2389 4361.7430 1544.2554 44059.0028 910.7675 14511.4233 5106.9911 4283.8514 22313.4025 6361.2278 3356.8114 5586.5562 5864.8183 6511.3663
16-Hydroxyhexadecanoic acid 3224.2537 9947.1568 7585.8693 18994.1922 3146.5963 16539.8598 11489.9942 3282.4665 24885.0538 11862.9101 5369.4925 7645.1761 69230.3616 29667.5014 3232.9392 15682.3459 1130.9413 5599.4993 4023.5567 2907.1357 5104.9849 6731.6891 9185.1011 1691.4285 2495.2669 10773.8700 18786.4666 20922.6073 155922.1406 13716.3700 13561.3983 3395.0566 549.4013 3153.1609 28332.2797 1819.3168 1729.1051 11773.5172 1560.4505 14519.2106 5625.6161 9451.1258 6113.6857 10350.9806 6496.3032 39455.0869 19490.6484 11124.6584 2085.8694 3778.5597 7863.8999
17alpha-Chloroethynylestradiol 1895.5222 4533.9726 4176.1800 3406.6424 2142.4937 254.1819 3731.1283 4711.2266 6437.5798 3434.1579 3067.8982 3959.3562 13335.8585 3535.2976 4719.4323 7486.7118 4533.2996 4790.2298 4067.5998 1818.7335 3153.0346 2311.6905 4174.9751 2081.3775 2816.9443 3558.8819 3455.1813 928.8214 1094.3371 4435.8033 965.8257 3586.4397 3229.5808 8409.8524 27366.5200 4792.3806 3450.4796 3429.1497 3891.3132 3832.8795 4420.3509 1198.5363 4919.2259 1761.0744 2308.1106 3578.7303 248.0685 1984.6451 3442.4396 215.9501 1368.5457
17alpha-Ethinylestradiol 71444.0032 127000.2500 51880.5260 45854.4919 75560.8783 1820.8255 2230.8277 97738.4737 40699.5808 122360.2629 109320.1430 39383.7488 78682.2082 123782.1863 35696.3562 80748.0118 74542.3467 85986.6910 106402.2133 45098.1880 126380.9752 122187.3604 37756.5680 95589.9303 118624.9315 66690.1663 74982.0151 186754.6570 38519.9012 79251.5055 31341.6792 62943.7878 191407.9566 88637.0106 59163.0962 78236.2244 131505.9060 90263.2431 144631.8732 99164.2818 126215.6992 136338.3616 66537.1127 107596.3601 32280.8511 54932.7248 68664.1721 22383.3263 100146.4814 63298.1889 67614.6540
17alpha-Hydroxypregnenolone 7566.1372 11868.8051 3800.5279 14165.1928 6652.6081 3699.5654 8614.5250 3500.6444 8755.5059 10876.2121 6320.5668 7611.2221 13235.7123 9582.5168 8984.6419 14315.9259 5334.4542 6072.7877 4932.9700 4690.5066 7483.3460 11274.1131 2345.6254 1932.5285 6018.9993 10368.0966 8636.3807 6098.4971 13649.5049 11418.1034 9286.8985 5278.4698 2098.9896 6683.7078 6689.8760 1844.3106 2697.1670 6476.4065 2884.3594 6436.3738 4856.8199 4760.5311 10039.8000 8785.8698 11119.5472 12251.7108 9743.7188 4149.4525 4181.8494 2589.5784 8371.2494
1_7-Dimethyluric acid 20835.2980 62148.4685 2064.0343 28139.6300 15152.6639 19071.8157 5491.6622 35782.0114 4934.4692 6397.5883 45761.2831 21956.8944 16831.3233 32618.6061 13778.6731 27466.2646 12512.3208 7341.3770 12889.5951 8187.8170 33893.7989 23302.8546 16658.6857 37601.3117 26826.9158 22045.0453 21560.5946 1535.1987 19385.6613 14532.5455 31226.0632 17522.6933 45350.0611 5775.3294 19120.8732 5030.3720 36359.1017 95126.7799 193619.4784 17039.1432 54900.6261 30055.9763 34518.5044 22943.1710 1485.3621 634.0786 19630.0104 13717.7276 26796.6759 23649.9292 2722.6955
17-Trifluoromethylphenyltrinorprostaglandin F2alpha isopropyl ester 11142.4422 3292.9142 13935.2000 6217.2321 545.0788 6158.1517 13388.1130 753.6147 12482.4237 8769.5206 6446.0015 8610.8324 8207.5936 14691.7100 11655.7838 15680.1753 5795.2464 460.2851 9106.1054 12798.0839 4194.6357 8940.1896 16804.9706 28074.2188 1384.5484 513.5674 4708.9313 11851.5941 15947.4864 24184.1265 14625.3093 10938.8029 26868.2292 9169.7283 10048.0549 3761.9571 13374.0933 10867.9561 23077.4530 3097.0220 13510.4938 2320.7932 2856.4090 2494.4056 12486.7997 29753.4077 16941.2420 57841.6856 7590.1274 2465.4953 10788.9811
1-Benzyl-1H-pyrazol-5-ylamine 2496.7874 9043.5980 3498.1083 7213.6798 3158.3335 2846.1712 3254.2503 2370.3583 5559.3524 25114.3038 22242.2961 1265.3979 3829.0004 7087.8230 2799.3049 4995.9321 4366.7980 476.9146 2891.5240 2668.8791 517.9462 4615.3956 4422.0032 18440.2604 560.8413 4399.7718 5511.3576 7346.7848 4242.1624 5943.8462 3995.8519 4196.7075 17145.9370 964.9053 3903.2743 1318.6808 7195.1510 426.3731 6191.8315 3133.1647 5134.3455 1094.8546 4171.0691 1648.4279 370.0592 4069.7474 5898.2033 2936.3617 1895.3679 3593.1209 2229.6121
1-Chloro-2-methylpropene 5247.7503 3795.7708 4166.0287 5254.7291 3573.2010 2482.5824 6761.0897 3430.5565 1653.6737 7855.4405 11028.0801 3136.0697 782.4678 1465.0388 4399.3057 6238.6015 1772.8563 2094.1125 8323.5558 5912.7277 9466.4773 6565.4838 2155.8189 8494.5346 169.1153 1261.0642 1975.6319 74507.8889 7167.3644 3150.6605 5674.3944 3598.6887 218.4640 3815.1847 2653.1459 1218.1913 10998.1437 179.4141 15886.2708 194.0591 66736.5233 11855.8791 8242.6496 1061.9141 686.2362 7076.8638 276.7774 2877.6448 1208.4372 1602.6476 925.6643
1-Cyclohexyl-6_7-difluoro-1_3-benzodiazole 7684.6764 4752.0914 6173.1457 13445.5137 8803.5854 25510.5924 10579.5147 5631.4728 970.5831 7257.5683 5600.9264 570.8850 8752.3350 10353.6173 9507.1840 9402.2555 3691.9411 354.8949 4183.7894 8977.2799 2144.0162 7388.2176 9018.7823 848.4672 8357.0141 3938.3844 8039.5969 301.8354 22412.8748 10730.4947 10145.2981 7849.7350 27616.8556 8555.6119 6305.6651 6825.9502 966.8376 27070.2077 268.2461 5955.0512 7278.8166 1841.3874 7092.9690 5299.5095 9992.0060 12269.5924 8698.5425 8347.6792 4746.3599 6223.0932 1646.2055
1-Dehydro-9-fluoro-11-oxotestololactone 2302.4401 3412.0463 2177.4652 12625.6830 356.1572 1969.7048 2038.2757 2107.2297 324.7768 3774.4448 2403.6365 1850.4106 2547.0690 3341.6467 2443.1875 2670.1685 581.4583 1529.5604 569.4105 264.1487 1139.0201 255.8758 273.1989 2733.1312 1209.0751 2334.2247 1819.5836 249.2628 2786.5529 1562.7868 2380.5181 2349.9846 4986.6631 342.9156 1149.9314 7793.8570 1412.6420 544.4137 4666.5643 3130.6698 3164.1574 18347.3721 1285.8874 6425.5186 1766.8523 2102.7614 3986.9626 1105.2897 1452.7073 1139.9346 1747.4823
1-Ethynylcyclohexanamine 1542.9707 1378.4739 730.5139 1180.7448 792.9373 5132.8305 635.5936 1161.5810 1553.0469 652.7864 4334.8855 292.0142 906.5646 2291.4946 554.2897 1058.2067 1393.2546 2534.9981 2793.4583 1572.2571 4804.8847 1409.9224 1515.8628 539.8987 89.0740 1555.3434 3567.1882 1681.2518 1499.4126 2215.1536 1171.2430 1693.9688 371.1827 1105.5203 3222.4629 1856.0428 6344.6219 3973.3533 948.3735 3275.2762 1592.6317 4047.6229 1095.1097 3129.5761 87.4725 84.1827 933.0392 1564.5587 1818.5244 546.9359 2364.9489
1-Fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene 874.3663 585.9628 1026.0327 625.1103 420.6657 394.4153 627.0441 574.4572 738.6043 688.9768 717.2857 624.5390 875.5629 872.6430 366.7627 352.1802 312.9761 608.8902 668.3702 729.6711 469.9341 445.2418 704.9798 954.9138 712.7631 618.6789 619.5560 661.1065 901.8778 832.0482 720.4679 898.5534 828.5622 737.4846 720.9414 719.6886 674.5441 724.8457 929.7117 307.0216 192.7282 791.7939 688.0928 707.9352 633.3961 977.2956 906.4801 889.2264 569.8478 784.6279 519.3586
1-Heptadecanoyl-sn-glycero-3-phosphocholine 3287.7066 2910.4897 3378.1202 1366.5133 3585.7617 5095.0315 4693.3306 3145.5286 3385.3775 2417.1772 2892.3118 4303.9209 3854.5915 2288.0356 3998.5137 4132.8418 4555.4070 3143.6798 2501.1046 4915.1161 2045.1538 3295.4860 4873.2255 4615.9627 3722.5831 3334.4945 3082.5136 2941.5792 3215.8554 2539.0242 4617.5483 4382.8978 2976.0397 4336.9295 3363.4771 3300.4610 2430.9281 3419.1620 2888.4109 3300.8266 2803.4128 2840.2752 3410.6165 3484.9843 4332.2272 4800.9060 3578.5164 4873.7303 2431.6752 4019.9956 4230.6627
1-Hexadecyl lysophosphatidic acid 1561.0300 4658.1715 30207.5374 44866.4045 770.0002 3338.5307 809.8159 2159.0717 4237.9116 4234.2751 4935.6574 2212.3731 1156.4832 443.7877 1069.7997 5147.7390 22630.7063 13011.2820 19361.9508 1881.9843 1977.0471 66075.0582 2456.2303 6830.5926 3840.2762 12651.6351 28515.5789 2796.3743 927.7852 1147.9735 1814.6671 12487.5194 9934.9167 18200.9476 16171.9382 6469.4454 36512.2583 2938.3285 6085.1856 8132.6938 3707.7501 3664.5084 3718.9003 12688.2832 919.1929 1915.7558 3246.7503 4642.5436 17777.0881 39821.8910 3580.8955
1H-imidazol-3-ium-5-amine 3016.3515 3669.3150 10021.8337 1882.1252 4702.7055 9996.6987 22858.2292 2994.7831 4110.7585 11958.6774 4254.2797 5709.7542 18635.8866 6923.0567 1684.4949 4001.0694 978.7685 3454.2876 2454.8997 4683.7714 1803.0304 90842.0943 22372.8483 3001.4341 681.3173 4493.6669 3872.9122 7257.2128 6998.6793 10823.7931 24621.3684 6216.5932 3326.6264 7098.6105 5269.0865 3684.4576 5244.6374 5637.7244 3355.3017 735.8892 4665.8044 8108.8232 3105.7414 1608.9518 1419.6569 15427.2883 4208.8909 11903.9068 3808.3645 3717.2443 3533.2249
1-Hydroxycarvedilol 2077.6135 338.8671 3333.3205 1638.0358 874.2144 2929.6411 3684.8154 2354.8802 2555.8264 1921.1338 349.9592 327.7882 1835.3191 2091.0603 3126.2353 2426.5009 1931.3177 2038.0239 1558.8623 675.4801 360.5392 2111.3127 2652.1650 2135.5766 2577.4981 2204.5359 306.7306 2288.0989 2362.0136 379.8524 808.5755 1354.1166 1798.2632 2668.1270 2117.9911 381.3045 2450.3097 3502.8452 2815.3710 1479.4401 396.7491 5364.7528 374.0727 1799.9127 2357.4846 12795.6671 323.2883 2828.0458 2038.5149 2282.4094 2354.5557
1-Isopropyl citrate 819.3901 3345.2179 6799.5827 3385.6969 1767.2040 11735.3588 9062.4327 1768.7522 938.3220 1576.2097 3169.9721 2779.1519 841.6326 1705.1223 2630.2079 1834.9878 616.7716 3650.9424 1668.7653 3442.3137 5099.2186 228.2573 337.0101 2948.1091 2081.2608 1455.7659 3483.4303 6023.6634 1931.6694 8095.8009 1276.3589 1602.8939 4164.3990 888.3374 906.3646 1964.6296 5616.8608 20251.2067 4666.6531 2352.3343 2711.0115 14479.6293 3820.2777 1461.3530 293.1740 2509.3188 2211.3639 1178.8655 2402.7565 1680.5861 867.3527
1-Methylnicotinamide 2611.1601 1729.0185 2363.5169 1849.6142 2278.5743 1500.0618 2417.8441 2388.5701 2806.4688 2092.0244 1994.5968 1562.7742 2691.7521 1906.7243 2678.7212 2181.9157 2499.1188 1831.9378 1905.4657 2796.4261 1497.3876 2070.6710 2875.7386 2643.9000 2878.1711 2223.8805 2256.2179 2134.7830 2397.5776 1479.7638 2176.7977 2465.7309 1781.3666 2522.1567 2512.7423 2382.1864 1194.2413 1412.5592 1344.0519 2140.9264 1623.2655 1839.0619 1991.3685 2055.6784 2798.9065 2847.8582 2495.9886 2308.7916 1913.3456 2382.4411 2054.8230
1-Methyluric acid 6234.2952 66218.9981 6853.2689 11537.0150 14010.1287 33370.1783 5542.3280 28708.7327 12742.8459 6869.9363 16256.4354 1434.3928 8830.7166 8956.8349 1540.9891 8251.9953 2433.4241 4197.8492 15216.9284 4733.8029 17122.8062 3691.9365 2227.6009 748.4071 9607.1270 7353.5042 2969.5241 35129.1472 28862.6902 15829.2273 3576.4573 3942.4467 16969.8884 30313.1647 3476.9793 1232.6682 28875.1899 88776.0246 771.9287 567.4547 21231.6337 5701.4401 16327.6924 3108.7030 9334.3220 15641.9580 8705.2010 7830.2212 16967.1422 12462.7767 4248.8256
1-Methylxanthine 7673.9100 35848.7628 34350.5569 16380.8404 5507.2295 43829.2600 26682.0148 39620.3826 21658.3610 15237.8392 6793.3659 3948.3975 5662.9185 11358.2640 4678.3800 5998.3849 7498.8376 1632.8617 91.0600 2158.6962 310.0990 5818.2548 6376.9701 3510.4987 7240.2757 17961.6596 7536.0225 16187.7331 12532.1276 36116.7734 10423.5832 7773.5877 22914.0660 8293.4893 9994.9472 1093.6264 46387.8251 68316.7619 525.2735 1346.5691 96.5322 34079.9585 10322.3556 3499.5681 29832.0241 11343.2421 4650.5708 14648.0017 271.5217 1983.3878 20450.7654
1-Monopalmitin 2103.5145 1516.9373 1883.4929 275.4394 1044.0082 1554.0918 2903.5989 1748.7543 1187.8211 1404.9440 789.0432 786.3675 1732.9690 1443.0280 2034.8378 4093.3238 1469.6452 1457.0451 2102.2715 1821.1235 1798.9517 1216.5084 1104.6264 1610.1611 1761.8033 1518.1257 2081.5806 1392.7760 1772.6065 1074.9765 1609.6005 1190.0586 1136.1584 2090.8329 1509.8619 611.7686 1202.8799 1473.7343 1436.6381 1405.7920 1930.3084 1239.8290 1701.1231 292.8684 2104.8242 1972.6189 2483.9873 1225.2734 871.5378 1674.1263 1534.1383
1-Myristoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine 16210.0258 45482.4705 7557.2293 40227.0790 42458.3008 23310.7417 15162.3146 59599.4812 46089.1280 75633.6362 20597.7035 20807.0784 24138.2844 3568.2057 10735.7510 11985.9310 29714.8058 47357.4800 19229.7114 54963.3612 10765.7932 15932.2219 8725.3712 49532.2542 70261.2370 19280.0196 49612.5766 36732.9780 11363.5947 36033.4190 20236.0653 21142.5947 16204.4012 15518.1492 20526.2830 44209.1648 26443.2919 55892.7037 32412.3519 32583.9640 15704.1658 45298.3958 55919.9452 42039.0431 47334.1235 13687.3013 14560.3070 37323.6153 23290.6088 21659.5735 29473.3960
1-Naphthalenesulfonamide_N-(6-aminohexyl)- 2592.1442 1114.0051 2587.3067 716.4082 14780.2039 4593.2762 2301.2676 4971.4183 1974.9007 1875.1351 3046.1691 4562.4686 1342.7458 1574.8507 954.6301 1423.4153 1696.7180 6022.7140 562.5947 12707.3418 1747.7744 1027.7035 2426.8134 2018.5717 948.2260 3366.2729 2870.9899 6307.1421 2508.4294 7976.5117 6074.6242 1476.1567 3593.1299 1253.6768 2480.5330 1670.7962 3811.6066 9268.4994 4237.5364 426.6266 1790.6566 9528.7348 12707.5136 381.9817 957.1169 25642.4102 2996.9859 6277.9883 1835.4300 2350.8952 1042.0973
1-Naphthalenyl[4-(pentyloxy)-1-naphthalenyl]methanone 239.8429 489.4629 1303.9303 577.8671 3690.0452 259.6404 1452.2958 1498.5541 1645.7806 2528.4960 1346.0274 597.6980 2092.6540 2647.8095 972.7248 1744.4263 1269.5423 1399.2737 1066.5714 2286.7221 1298.3859 1896.8025 1360.5452 192.3636 1399.4513 1287.7730 1255.1450 2005.6299 1977.3946 1614.6148 230.8899 1471.8028 1099.1501 2914.0332 1599.7476 1304.3571 1270.0758 1114.7208 1215.0132 1254.6843 1334.3663 1220.6335 1557.9834 2245.5973 3136.2753 3012.9490 1591.1110 2267.3476 1146.4205 1716.6032 2067.3457
1-Nitro-2-phenoxybenzene 927.6694 1975.3496 1478.6323 426.3684 2745.8783 1977.5270 1053.2907 259.0666 1167.5481 1276.5906 944.3635 2159.2503 474.0911 2319.5556 2848.8094 4054.5801 2021.6726 1496.9514 1196.3568 4256.1888 1040.7264 1334.3347 2008.3526 1150.0368 1231.1880 1397.9002 1059.3390 262.2413 1583.7022 1264.5886 1479.0755 2018.6665 251.9058 2417.2084 4479.9537 1096.2804 1496.8602 845.8155 980.5608 347.0295 1183.8341 1011.4221 1860.2154 1165.6193 2879.4398 1802.6401 1310.9190 2627.4445 1631.3482 1935.2557 1489.5662
1-O-Cinnamoylglucose 1400.5670 298.5852 66118.2989 29193.1483 1007.6870 4734.9517 8063.4139 15962.0515 5871.4205 1419.3803 2225.5072 14442.7511 1496.4756 491.6294 7330.4943 762.4277 1171.8833 5978.2126 7835.8714 2400.6856 20275.5698 3576.4155 767.8285 3293.9645 93.7343 9814.1495 11391.8161 3169.7910 99.0486 19339.4356 6717.0743 12311.3019 64095.2903 10928.1116 311.7191 10851.4150 25358.7190 11995.8785 18239.4377 50447.4467 23335.5135 7992.0939 41254.0489 40087.6888 6639.7190 8251.9455 2995.7029 4435.3733 9747.0354 13548.1396 3708.3199
1-Oxazolo[4_5-B]pyridin-2-YL-1-dodecanone 2665.0021 11921.7247 3005.1699 12282.1825 60197.5824 19225.9709 3768.3282 8363.9011 7601.0219 15085.5312 10759.3360 9068.1019 5425.8117 26463.3383 4784.5321 2841.1139 11076.3629 27585.6010 124992.5646 12381.8645 5826.2127 1568.0660 1279.4391 4386.3521 4660.1972 12994.0494 10202.4926 6393.6031 1591.9910 14444.2417 3129.2332 3130.8607 2539.0578 34671.1434 5804.3881 6374.7603 19415.1136 6070.8425 4160.0356 40521.1086 18515.0617 11852.4098 59266.5749 4605.8051 9906.1776 39856.1763 2490.4525 19197.7045 61682.7823 18173.6211 7864.4270
1-Pentadecanoyl-sn-glycero-3-phosphocholine 247.0107 6106.2424 6773.0693 16331.7615 1535.9802 1760.1729 387.1832 1103.1110 2469.3223 8218.3974 1085.2173 1594.7722 63.4707 6886.3355 1704.7574 1767.7801 2836.1592 2202.7304 6520.3686 1950.9968 2765.0788 7816.2162 943.0186 1630.3947 1792.9535 688.0668 8087.6883 501.5709 2804.9919 66.1849 887.1629 2463.7939 4877.2520 14427.4461 6326.6539 3415.9740 41844.5717 2195.0988 5814.0277 4728.1088 2728.7144 1672.2256 3725.0807 11671.4899 347.9640 992.2780 3056.0644 1102.0177 37633.1895 2350.9804 14982.0038
1-(Pyrimidin-2-yl)-1_4-diazepane 3733.1410 5716.2796 4252.9326 16350.2589 2919.2333 5736.6647 3625.1616 3357.2890 2772.2829 2286.6799 7544.6002 5601.8375 370.1265 4910.4656 4070.3468 4629.6496 138.1839 146.1325 6961.5193 3368.2753 36545.0609 143.4688 3957.2877 6971.5172 12306.7486 7021.5676 600.6936 19639.3612 5757.2936 13837.0865 5409.2209 783.8389 16391.7694 4457.5256 1415.7803 2256.4121 15802.6766 1068.1440 14525.7237 1187.0955 8486.1111 5143.5993 1809.5400 5997.3823 3062.4072 4448.2098 339.6694 3844.3647 9542.1031 5775.5854 4115.4839
(1R_13S_16S_22S)-1-hydroxy-7_7-dimethyl-13-(2-methylbut-3-en-2-yl)-6-oxa-12_14_20-triazahexacyclo[11.10.0.02_11.05_10.014_22.016_20]tricosa-2(11)_3_5(10)_8-tetraene-15_21-dione 743.3793 652.4014 348.6355 1346.0926 781.7931 151.6941 187.5590 1054.8827 616.5862 128.6192 678.8723 260.5312 1087.5056 8832.4101 1339.8886 1236.1584 121.5411 1280.5581 803.0896 1113.3613 1164.1865 1093.0640 1298.6804 1457.7104 205.3489 568.5808 1185.0761 438.6579 953.3269 259.1012 6990.0441 2194.5667 1855.8741 1947.6582 492.1598 762.5508 1393.6957 1573.2235 1021.5408 208.2396 5213.6168 2869.7283 1480.2650 731.9166 380.9768 2898.8064 388.6830 1025.0802 1486.0336 3143.7057 278.8391
[(1R_2R_3Ar_4S_7S_7aR)-7-hydroxy-3a_4-dimethyl-4^-methylidene-2^-oxospiro[3_4_5_6_7_7a-hexahydro-1H-indene-2_3^-oxolane]-1-yl] 2-methylpropanoate 12703.8854 2277.1739 2357.6436 479.3523 1808.6837 689.8722 3232.9128 1913.9154 3155.0840 1842.3815 1974.9363 3124.3961 3092.7824 3778.8927 1313.1227 2783.6842 1658.6674 1941.8670 228.3506 2165.9536 160.1769 6920.6683 3163.2500 1217.6991 3313.4527 13348.2005 3099.7233 2002.6551 1080.0155 106.9996 4113.0410 1891.5481 2386.4209 1020.4912 10688.7869 1118.8707 3794.3422 4015.7456 114.0649 677.6736 214.2518 4122.4756 2039.3450 1194.7538 443.5237 4467.0122 2255.5387 1649.7630 123.3222 5904.7860 3302.5432
[(1R_2R_3aR_5R_6E_10R_11S_13R_13aS)-1_2_3a_11_13-Pentaacetyloxy-2_5_8_8-tetramethyl-12-methylidene-4_9-dioxo-3_5_10_11_13_13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylbutanoate 3839.2951 6332.6483 302.1143 3344.5363 3614.7157 3443.5044 3543.3632 4338.0722 3603.8427 7265.0572 5022.8002 3083.8336 3967.5958 4732.3016 3884.3464 4001.1095 4795.5008 6557.3848 7607.2610 3405.7298 5469.9703 4719.1274 3221.7165 4398.0326 7633.7123 4012.8359 2850.4899 4877.4228 2422.8167 3885.8251 1118.5138 3881.8723 550.7979 4506.3317 5812.1962 7790.0625 6302.4553 4239.2692 7361.3339 5675.4650 7661.2918 3702.3089 7449.0344 6942.2086 3714.6692 3682.5931 3799.8104 3209.1632 3038.4253 8279.9698 2580.7848
[(1R_2R_3R_8R_9R_10R_13S)-2_10-Diacetyloxy-9-hydroxy-8_12_15_15-tetramethyl-4-methylidene-13-tricyclo[9.3.1.03_8]pentadeca-5_11-dienyl] acetate 730.2109 550.0487 419.1551 420.8030 808.0445 1055.7051 953.1773 562.3005 206.0313 710.8949 443.1393 1119.1387 936.7570 2148.3819 856.5117 1149.1745 289.7380 809.3357 432.8483 1058.3170 3236.9474 1078.1426 931.9462 200.2947 845.1542 766.5062 1098.6853 2169.2101 821.0976 2029.6289 1007.3505 681.1142 2439.8727 1087.6748 728.4290 602.5244 2621.6832 1241.8095 3282.9854 972.1142 2033.5421 330.5394 2879.3515 863.7722 1025.7355 1192.9894 1110.5154 793.0049 611.1304 777.6809 769.4858
[(1R_2R_4As_5R_8aS)-1-(hydroxymethyl)-1_4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3_4_5_7_8_8a-hexahydro-2H-naphthalen-2-yl] hydrogen sulfate 7322.6922 784.3102 5940.4799 7785.1482 7554.3899 6582.9192 4378.0859 7155.6278 308.2907 15351.6741 11978.7896 885.6256 7570.1700 1146.8088 275.5061 6250.8828 128.8736 13490.8093 42433.9006 5697.2943 70832.8232 13413.4650 4595.0558 13094.6140 6014.7379 9476.3492 997.9137 224.0603 7174.5256 1551.7787 8216.6518 7927.0770 21210.3104 8021.0852 133.5600 10693.8703 82178.1134 12778.6342 29538.4902 1559.7367 3248.9048 15444.2514 10542.2614 475.3492 4611.7034 7481.4678 10447.9433 6413.1147 23994.9716 571.4144 693.5793
[(1R_2R_5R_9S_17S)-6-Oxo-7_13-diazatetracyclo[7.7.1.02_7.013_17]heptadecan-5-yl] acetate 5962.0811 10651.7008 6297.7770 8798.8848 5789.8939 6897.5318 6730.5020 8378.3871 6755.4105 13632.3124 8759.4572 1771.8839 6782.9471 10481.7771 6490.0707 8396.4703 6845.3227 3323.0767 9736.9622 6270.0711 9750.8415 8168.4224 6303.7352 1876.4264 2488.6711 6152.6563 6728.6018 7905.0331 6495.7827 8315.5585 7809.3067 6344.9415 8565.5992 1552.8317 5756.1015 1790.7469 10927.8336 8764.9592 20964.1167 13670.3282 16437.2160 10593.3891 26736.7592 18940.7932 7458.4995 7346.2173 7023.3289 6192.6942 9638.9786 1899.5781 5285.7846
(1R_2R_5S_8S_9S_10S_11S)-5-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15_8.01_10.02_8]octadecane-9-carboxylate 4227.9601 4833.1151 929.0691 2845.4213 2670.2202 2137.9767 482.0581 3940.7894 2602.0100 3352.0311 7975.3034 722.2049 1644.9556 694.5181 657.6509 2901.5039 3437.5863 2184.5864 3849.2413 2131.9448 3699.5379 6107.0396 210.1491 2617.8053 3342.4349 3973.9328 893.8925 1467.5492 1399.5316 3490.6574 1794.6590 7868.6707 3895.7927 2804.5062 793.6141 2847.7507 3446.8492 219.3359 3736.2531 2932.2191 7489.4358 3229.8778 3186.4837 3181.6932 2770.8356 1696.8019 3906.4576 1292.9572 3221.0899 2030.8703 1340.4128
[(1R_2S_3S_4R_7S_8R_9R_10R_11R_13S_14R_17R)-2_9_10-Triacetyloxy-13-chloro-8_17-dimethyl-12-methylidene-16-oxospiro[15_18-dioxatetracyclo[9.6.1.01_14.03_8]octadecane-4_2^-oxirane]-7-yl] acetate 2059.2022 922.5597 21812.8435 12923.1474 771.7475 31536.1402 349731.4015 11216.6420 12387.5569 34681.6649 94.1814 96.5458 15509.4968 397.5549 40424.2119 16997.9578 531.5986 33402.5335 275.0371 20788.4600 11168.0668 2982.6250 2299.3624 2191.1935 21009.1893 785.5314 10900.7735 119.2454 2137.3434 6134.2879 593.4018 9902.5087 2824.5877 2648.4479 3930.5402 3063.9767 1691.6844 839.5902 13411.4010 1232.3176 11376.9674 1397.9375 1490.6896 4862.5876 194.8176 4449.7153 1223.1861 22384.4593 9704.5755 677.0631 9065.8913
[(1R_3R_5S_8R_9R_10R_13S)-9_10-Diacetyloxy-13-hydroxy-8_12_15_15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03_8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate 2029.9414 2184.1148 3590.0918 5572.6257 2180.4908 1940.9735 2101.0304 1870.1482 160.0180 2030.5578 2147.9311 2262.1320 2101.1038 2272.5600 2021.5306 637.4500 3208.4358 1807.0086 2755.0778 1887.2002 2047.3962 6297.0924 1886.4579 166.9715 2164.5334 1882.1098 3885.7650 1959.7092 2437.7763 2020.6292 1765.0623 2044.2447 1411.5524 2920.6690 2551.3953 668.4144 3730.0694 152.9306 347.5170 1151.5275 1996.9218 167.1140 356.2489 2027.1309 2142.3352 1481.2824 2029.9282 773.1858 2532.7623 5082.7440 1947.1991
[(1R_4As_4bR_7S_9R_10aR)-9-acetyloxy-7-methoxy-1_4a-dimethyl-7-propan-2-yl-3_4_4b_5_6_9_10_10a-octahydro-2H-phenanthren-1-yl]methyl acetate 424.8164 343.5419 98.3493 300.5706 136.3410 2033.1225 234.4524 441.4038 447.6822 367.0905 540.1513 709.0959 363.0292 321.9047 476.6103 799.4721 410.7422 652.8263 183.0306 469.0685 457.8233 121.9387 2258.1945 127.6149 654.8694 595.1587 365.8817 154.4954 255.4565 428.8173 545.4107 631.8109 114.9512 836.1608 900.0659 534.6019 474.4980 316.5194 342.9846 91.0779 431.8924 616.2414 432.8637 262.8079 497.5688 918.1704 248.9772 627.7898 570.6749 356.9435 463.2376
(1R_4S_4As_5S_6S_8aR)-4-(hydroxymethyl)-8a-methyl-6-propan-2-yl-1_2_3_4a_5_6_7_8-octahydronaphthalene-1_4_5-triol 6202.0032 1471.8454 471.3265 2846.3019 1212.7866 5891.7558 5866.6175 1092.7250 7641.5062 11686.5939 5582.7117 10907.3884 18274.2876 3117.3714 3701.5363 7027.7271 3882.0200 7167.1464 22970.9721 7896.8985 990.8724 4811.8014 7259.3996 6222.7457 1559.2843 5873.8943 10826.4985 6975.6008 5406.1483 3997.1108 6497.3410 5743.4399 1856.8577 22098.2310 5396.6144 4879.6188 6775.6704 6771.9170 3531.5500 15436.8909 3696.5568 6235.8144 15256.6946 6161.4995 14751.7304 3099.4054 5350.6474 134.2279 1733.3079 760.8521 2358.6066
(1R_8S_10S_11R_12S)-3_4_11_12-Tetramethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18_11.01_10.02_7]octadeca-2(7)_3_5-triene-13_16-dione 2783.3337 101570.3458 3130.7068 58850.6105 14901.5236 18299.4435 21013.1272 5469.2528 23878.1440 7491.2364 17375.3273 13123.4164 16585.4006 30526.7445 15820.9949 16649.3463 16393.3180 15291.0648 29989.0954 17322.9165 9472.4697 23665.5831 17971.5134 22389.1544 17696.3204 21192.2600 17485.4327 28914.1977 3997.9220 33827.0728 17021.1035 16843.9001 35095.0120 1404.4097 5652.6538 19509.1949 38061.1310 5989.4591 141574.2038 10225.1483 2168.8182 9487.6362 18254.5433 7078.0634 21388.9881 15825.0309 21892.0576 18965.2697 916.2201 2237.7526 19553.4765
1-radyl-2-acyl-sn-glycero-3-phosphocholine 21688.4825 6576.9112 16266.9796 2016.7091 1174.9219 30040.2165 38196.9568 5446.1299 35578.9681 182.4878 5457.8374 16354.1912 1870.8756 1609.4921 24294.7856 21810.5430 609.5174 19111.3860 904.4807 21707.8232 8152.0866 7929.3477 43630.2786 2970.2910 1069.2902 10635.9576 1428.3391 1803.1135 2462.0168 22086.9669 278732.1794 2087.8915 2667.8124 1610.4257 24407.7391 1918.5724 5866.3944 8264.1949 366.0480 7786.3670 824.3518 3293.7146 13064.9686 3328.9552 24208.4440 16056.0819 32858.5082 49440.6304 13208.9874 158.5294 18742.1277
[(1S_2S_3S_5S_8S_10S_14S)-2-Acetyloxy-5_10-dihydroxy-8_12_15_15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03_8]pentadec-11-enyl] 2-methylpropanoate 966.8061 1157.8798 806.3552 841.7510 1568.1869 887.8061 878.6048 462.1395 1093.6486 511.2447 2788.8106 968.1044 741.9439 455.5878 862.7182 760.1957 841.2964 959.4182 2142.6426 334.8506 104.4506 398.3243 933.3471 2579.5628 4066.4912 903.5922 118.9650 2066.1276 455.6479 418.0778 960.8398 858.8126 2306.1572 1938.1497 777.6709 1079.0355 792.7325 1240.9543 2226.9716 1045.4912 845.1008 1133.8789 814.1433 223.4483 814.4022 905.7344 857.4478 216.1060 1012.2624 606.8304 766.5124
(1S_9R_12S)-4_13-dimethoxy-17-methyl-17-azoniatetracyclo[7.5.3.01_10.02_7]heptadeca-2(7)_3_5_10_13-pentaene-3_12-diol 1064.9743 2366.4420 1034.0185 1938.3700 294.9249 1297.5354 1250.8526 802.8948 644.7155 1449.9845 1508.9517 184.2393 140.0524 2733.1837 1331.8156 1494.5805 1510.0808 1240.0883 3968.0491 1053.5018 7967.3768 473.6773 1440.6441 1945.5472 1124.4099 876.5666 1136.6146 2483.5090 1532.5462 6643.1691 1386.3987 1139.9767 5908.6453 1491.4760 1012.0699 2796.0352 2659.8565 156.8002 2661.6771 1626.0705 4072.6281 1755.7125 1693.3772 562.7277 857.6063 1535.6428 1468.8067 1092.7625 3006.9373 1894.5882 836.8509
(1Z_3E)-1-(2-aminophenyl)-6-hydroxy-5_6-dioxohexa-1_3-dien-1-olate 14915.8087 13531.2510 15021.9766 13341.4389 14818.9380 13481.0959 15237.3161 13578.5013 14142.5006 14109.6999 14582.7631 13064.5929 15024.6168 13832.9346 16079.5147 16510.3238 15331.4431 13744.1440 12338.9877 15211.9177 11139.0823 15557.0956 16131.1868 14880.1372 15135.6774 12150.5330 14401.6536 13391.4626 14330.8537 11639.1957 13670.1320 14621.9026 11027.5587 14899.1210 15538.3450 14165.1182 11768.4881 14037.6703 12183.6985 12754.6719 9798.2670 12233.2692 14719.5602 15468.3195 16240.6316 15035.9321 14882.5956 15575.4404 11055.1664 12461.1684 14943.5946
2-{1-[(2-Methoxy-5-pyrimidinyl)methyl]-3-piperidinyl}-6-(2-thienyl)-4-pyrimidinol 818.0543 320.9652 423.0135 205.8664 719.4891 149.2522 959.5887 406.8523 421.6613 2082.3042 161.0488 935.2633 617.0295 459.1234 342.6456 3897.3472 886.9891 913.9882 1002.7585 778.8941 724.2532 1654.3987 1922.2773 462.6830 131.2414 853.6975 356.6688 3975.9906 151.1230 1226.7267 135.6743 819.2007 381.0480 483.5315 594.0086 766.5745 123.9422 797.9067 145.8498 693.2253 692.5902 842.9156 779.7680 614.0161 308.8575 288.1736 1648.6434 2883.7944 364.8119 1003.4260 184.4078
2-(1_3_4-Thiadiazol-2-ylsulfanyl)acetic acid 2880.8193 1350.3013 2307.9369 318.9904 2747.4382 1939.0666 3491.2252 2189.4042 2145.7676 1263.0675 825.5630 2422.9127 2976.5870 1605.9562 2267.2888 1276.4937 3149.2289 2728.1058 1484.2739 3005.3741 1135.8042 926.0912 2235.8719 1383.9862 2981.8721 742.2483 1632.9769 1047.2835 1301.0068 645.1327 1646.0044 2031.8591 1972.2872 2797.6299 2712.4279 1828.7584 360.9967 688.2364 1056.0953 1819.8928 1300.1229 899.4340 1876.0055 2200.6298 2762.0430 2789.6297 2154.4569 511.7107 1058.6337 1844.2848 1255.6425
2-(1H-1_2_4-Triazol-5-yl)-1H-isoindole-1_3(2H)-dione 20232.3787 23590.5887 9157.0820 9999.7122 7337.9509 12521.6464 8609.8889 14383.3299 997.4425 1496.8350 9823.5235 10767.1417 489.7667 863.6309 9634.3376 10101.4997 411.4003 12239.4561 11780.3980 8000.3634 10021.1694 9102.1264 8490.5232 9607.6616 10183.6051 9022.7473 9153.6455 11859.2939 23394.7118 10713.5234 9788.3745 193.5625 928.3488 20984.2399 1026.1889 4900.5169 43028.0858 4082.0172 12794.2632 14253.9845 4138.5663 11895.0749 803.2452 7103.3508 136.5070 8054.8982 8746.8322 6687.4265 10721.3720 3836.5565 9204.6965
2-(1H-imidazol-5-yl)ethylazanium 13473.6645 10581.9639 11970.9188 10613.4520 12609.3001 10886.6477 13926.0778 10529.5157 12775.6872 11543.1599 10488.9017 10243.8732 14762.6991 11259.2056 15221.3214 11802.1551 13502.3764 12311.0961 10673.3402 15158.2618 10188.5750 12760.3429 14047.6547 13804.7901 15194.5601 12423.3219 12845.7850 9859.9936 12691.4905 8841.8549 13363.7949 13636.5809 9854.5401 15085.3376 14718.1755 11463.5922 7116.8522 9571.7398 8326.7222 11255.5384 10376.5347 9476.7974 11721.5946 12878.9493 13816.5153 12899.3822 13213.7538 12596.9639 10332.8726 12490.7951 13522.9484
2-(1H-Indol-3-ylmethylene)malononitrile 5608.5662 1270.7152 894.6371 2949.2086 2561.8762 2136.6812 911.9954 17267.3541 7173.1414 1992.6638 12550.6972 3190.8640 2696.2501 5440.6849 87.0537 2270.0668 112.3799 1227.5296 10151.3524 2522.0829 1613.2977 2028.3570 1362.7988 3089.0147 2101.3616 12491.5305 3951.9973 5715.6566 9478.8435 163.8630 1955.2877 2589.7137 12338.1029 4253.4285 3409.6424 8419.2137 6965.4362 2387.8979 8561.2164 3722.2778 11941.0563 1690.7465 2999.6031 4790.2211 1904.0182 3587.7000 4713.0809 1279.6325 4548.5279 8411.4116 1939.5773
2-(1-Piperidinyl)-1H-benzimidazole 2230.3260 1805.6934 2239.0280 1630.3749 2621.8483 1280.3815 2481.9442 2630.0896 2055.6546 2184.6815 2348.3931 1179.3859 2792.4358 2052.4883 3399.9705 2793.7690 3206.3456 2193.8834 1835.5891 2493.7053 1700.6061 3384.2939 3498.6899 2823.8837 2650.2211 2463.3403 2686.6046 2249.9681 2286.5331 1186.3953 1977.1254 3061.2762 1672.2124 2596.4469 2626.1165 2458.4038 1233.4343 2135.6438 1769.0453 2184.5447 1759.0696 1754.9366 2654.0405 2898.1837 3497.5271 2234.5782 2213.8802 1835.1281 1627.0429 2728.5230 2340.8447
2-{2-[2-(Acryloyloxy)-1-methylethoxy]-1-methylethoxy}-1-methylethyl acrylate 1426.6305 14308.1685 1359.5335 4188.4961 2833.7957 647.6114 887.6244 4062.6191 3053.8167 2478.0102 16235.9694 6645.9837 1621.8406 11736.4182 3886.2219 4415.4473 2264.6480 3747.0735 4180.9068 879.8016 5765.6538 3112.0243 1063.1747 1071.3545 6144.8928 1726.5994 4710.4822 4971.3657 2138.6797 9388.9097 3127.5055 4107.5636 690.8408 3503.9390 8452.1659 4451.2459 12962.9014 2123.3187 6776.3557 4051.4555 7087.6737 11176.3551 5302.2868 4122.7002 681.2045 5272.5149 4014.5746 626.4476 1720.3317 4155.0342 357.4208
(2-{2-[(3-Methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid 935.1141 1210.0081 1537.2920 3193.3185 124.4609 1555.8203 1476.9793 1509.6128 1053.0804 1873.6598 1818.7214 1682.1264 206.5564 1827.7746 1671.2607 737.3759 2017.3294 1453.4180 685.1686 1408.4887 3030.9582 1313.0025 1621.1816 2888.0866 4338.2586 2679.3491 165.5707 3570.9031 2925.4215 1703.5782 1934.2236 1144.7359 2784.9999 1023.0927 3395.5600 1522.3030 3443.7189 670.4995 1598.9244 814.8609 1790.6956 1295.4178 1243.0380 2394.5162 1310.4204 962.9972 1706.6111 1403.7822 1757.9168 3205.6261 1433.9166
2-(2_4-Difluorophenyl)pyrrolidine 3745.6491 3593.4896 3344.7765 6728.1960 1631.4543 2687.7644 782.1407 5274.5141 3685.1375 4758.7421 4882.2155 1398.5307 2798.5536 873.8750 860.2372 3859.7766 6019.8786 4821.0069 2748.7623 152.9335 6258.4678 4475.6341 2865.0243 7229.4699 9662.4736 6175.0903 2432.4110 7421.8670 7171.1749 3550.7796 5329.5227 4521.4883 4839.8931 4229.0802 7649.9315 4184.0434 5505.6039 2411.2543 3752.9444 2979.1130 3468.8641 3246.4963 3776.9091 6104.9263 840.7147 3807.1874 5270.6285 1133.8313 4203.7138 6456.8204 2962.5060
22-Hydroxydocosanoate 19178.8982 25689.6380 15621.4269 8374.9816 15668.3956 14613.7132 24498.3042 23734.0127 16189.8561 16451.3285 15300.8591 16298.2592 23830.7341 18585.6897 11501.1321 16069.2808 15053.1913 15355.7169 18948.5370 15694.8446 29976.9261 23729.3604 21947.8000 17129.4429 13969.3802 14015.5814 15289.2818 14096.5811 13029.1114 12726.6488 14366.2379 11304.3142 15567.7931 12150.6888 14129.2794 15325.9098 17770.8725 19321.8502 15707.0064 20822.0880 15461.9547 15529.0615 16691.2679 12379.1190 12967.7600 15801.0735 15325.5745 12956.3256 23140.5666 21588.2352 12315.1972
2-{[(2-Oxo-2H-chromen-3-yl)carbonyl]amino}benzoic acid 1164.1454 1711.4689 955.8320 1873.3247 1159.7901 1579.6775 1061.4618 979.0444 1945.0177 1331.5407 1257.7831 928.2504 1405.3176 908.3072 1435.4036 1408.6797 1088.5150 1144.1791 1463.7599 945.8196 1194.8170 1363.1670 617.4132 1920.4962 1447.0360 1168.3094 1387.6796 1410.2839 1004.1538 1548.4410 1366.3268 2843.3925 1216.9108 1198.7760 1218.3697 1182.8332 1204.6684 1161.0801 2113.1026 1412.3183 1296.4599 1379.1461 1094.7804 1607.6524 1205.6316 1354.9301 2188.5665 2387.7110 1391.4311 1455.1368 1665.0679
2-(2-pyridyl)-4-methyl-Thiazole-5-Carboxylic Acid 1317.7702 1204.6063 1475.5106 1317.2112 1556.8057 1572.5849 1582.4784 1352.9873 1392.8524 1335.6616 1407.7831 1184.8607 1152.9723 1234.6574 1595.6986 1353.4275 1215.2645 1270.3593 1036.2882 1286.2055 1386.5304 1318.2153 1537.6484 1417.4191 1512.7539 1366.3835 1460.9780 1382.0322 1380.8271 1412.6372 1427.5946 1278.5395 1630.4314 1562.5031 1471.8144 1487.8165 1189.3440 1231.1538 1600.0783 1323.7475 1372.2564 1354.2467 1209.3323 1361.8659 1271.4611 1571.3193 1435.4450 1468.6843 1423.0156 1420.8725 1539.7236
2_2^-Sulfonylbis(4-chlorophenol) 1972.2712 1783.3444 1914.3399 1555.8122 1738.2179 3033.1092 2013.3126 1780.7541 1836.9497 1664.4241 1726.2447 1910.1695 2177.9962 1764.9728 2160.5304 1990.3846 1972.5729 2046.9679 1378.2130 4622.4750 1650.2881 1839.3821 1326.0817 1947.9378 2639.1001 1709.8639 1591.7265 1749.1093 1914.9433 136.4773 3297.7891 706.2882 1454.0738 2200.9842 2278.9363 1450.9762 1459.0387 1811.5466 1794.5157 1634.1586 1560.7022 1869.7159 1864.9726 1644.9027 1336.3024 3734.5387 2398.4151 2210.9621 491.3605 142.6590 2550.1875
2-{[(3_5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid 1388.4073 448.6770 1155.4387 1121.4331 1149.1571 761.4870 1525.0571 1288.5163 1337.7650 1120.5566 1052.7899 565.2792 1696.7283 582.7784 1838.9665 1440.9369 1540.9255 1286.4675 616.4034 1358.3545 488.2388 1432.8834 1904.7419 1427.1943 1543.4688 1028.9855 1303.4176 797.3629 1170.7392 598.0613 1037.9409 1706.6385 296.7520 1823.5154 1425.7236 931.0385 309.4422 721.9438 127.8310 1060.7849 374.3613 285.5646 1181.5840 1326.7231 1884.3410 1213.8950 894.6736 1055.0037 162.9312 1205.2722 1269.5508
2_3^_5-Trichlorobiphenyl 1361.9111 539.4670 696.6713 495.9286 323.8897 625.2028 583.7405 742.2321 686.6009 562.1821 536.6209 642.5257 410.1387 669.2380 209.3202 190.5816 586.0910 503.6264 156.0451 1539.7304 532.7637 678.5342 727.2566 975.7787 963.2679 831.7492 527.5786 611.5720 1084.3186 551.5648 650.5014 1622.9824 620.2431 613.2014 191.3665 383.4524 593.1662 635.2325 511.3306 511.7729 599.8313 545.3978 186.6682 899.4112 582.4748 872.6820 583.9997 1158.5981 233.8921 381.4679 666.7055
2_3_5-Trichloro-cis_cis-muconate 295.1642 298.2530 293.3194 318.4057 124.8329 294.3689 115.6248 120.7412 298.3049 273.5279 293.8261 242.0951 305.0141 314.1786 300.7103 314.7791 306.2095 340.9416 307.0224 311.8841 286.3566 290.7773 270.7227 118.5226 268.3622 334.2158 306.8740 121.6703 286.8902 287.5425 463.9410 680.0954 507.2463 150.1151 305.3159 649.7862 265.6467 134.6603 326.1480 129.1795 264.0462 571.6770 117.2510 733.1239 284.7356 264.3133 274.6379 322.7412 127.9926 302.6646 496.6211
2_3-Diacetoxy-7_8-epoxy-24_29-dinor-1_3_5-friedelatriene-20-carboxylic acid 1700.4956 1182.8532 4062.7440 333.8085 7931.1550 3538.6997 328.2829 2332.7487 484.8291 1568.6508 2560.9699 7884.0264 7156.6898 830.4079 83.8118 1540.4974 2699.4256 5222.2597 673.4805 3604.3849 716.6227 3131.4312 2755.1478 13894.6957 216.3518 3470.3160 395.0894 20705.5893 1955.1012 27075.4982 2992.4731 4670.4849 582.9202 3670.2921 2702.7739 12148.4469 5899.0740 13950.7996 5865.9263 150.0484 19232.2035 5834.9053 4563.3647 72.7252 1972.8087 7026.8032 2896.0460 3338.1014 5544.1906 3308.3559 215.7375
2_3-Dihydroxypropane-1-sulfonate 1826.6556 1878.8884 2454.7586 1710.0896 1880.8346 1671.1709 1914.8619 2250.0006 1318.5159 999.1104 2366.2031 1404.5306 2158.0492 1380.3293 2127.7657 1915.2357 1084.9878 2901.4859 2107.8837 1794.0474 977.5225 1552.6800 758.1839 1810.0646 963.7892 1726.1264 1196.5485 829.1749 2072.6891 1951.8087 1994.6346 659.8165 1447.8886 929.3711 1600.6470 1028.7590 1704.7292 1259.1486 1633.2150 1463.2975 974.4645 1341.1677 1522.0004 1423.4799 882.1388 1769.2692 1433.7391 964.8977 2236.7187 2537.5109 1218.8202
2_3-Diphenyl-1-indanone 7308.0434 102.6604 116.2365 659.1751 746.3660 1242.6960 1337.7844 1691.4277 392.7435 740.4441 200.7732 105.5486 113.2426 1685.0031 950.9192 2776.7317 394.4764 718.9326 1831.9783 297.7267 91.0864 699.7909 1948.8899 1967.6406 528.6086 896.5134 111.5618 1160.1462 1657.1599 836.0371 9415.8469 1054.8486 554.0410 114.7093 1546.9956 849.3257 1174.3027 897.5442 727.2361 783.7716 2803.6981 806.1636 500.4388 1569.5559 1089.8585 1443.5122 1488.1688 1014.0247 2415.1481 477.5177 817.2529
2-[3-[(E)-6-Acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a_5a_9b-trimethyl-5-oxo-2_3_4_6_9_9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid 15409.6413 14294.9981 9209.0827 10980.8292 14259.2526 16101.7471 16176.1490 22334.1140 55197.1479 13834.3730 14308.6681 12014.1504 14004.0257 25442.7001 12556.6826 7500.4608 11609.3877 11108.5753 14788.2927 4303.6985 13498.7447 17882.6925 10547.8516 32642.7510 17425.1277 2828.9131 11513.0485 25947.0164 33363.9543 3938.5743 16216.5920 18992.7981 8050.7831 13539.3613 12795.5425 13666.0992 16355.2441 26072.3237 14644.5794 13331.0772 15263.1655 16421.7098 13952.0771 12544.3505 7977.2135 39439.9590 27484.0268 27751.8173 158.2725 13881.8615 4815.3278
2_3-Epoxymenaquinone 2218.3888 11284.4089 1865.9119 1685.7633 1684.9999 2770.6721 2260.1860 2736.3303 1826.3169 3317.2114 1868.0007 7359.3823 2096.2874 3733.2938 2074.3122 537.7656 326.2059 2910.8651 259.1616 2226.6825 9412.7962 2202.2718 2235.9741 2404.5509 1162.8269 2286.7060 2265.0101 3109.2807 1489.9576 314.2786 2158.1268 1474.1133 2300.9678 2489.0103 799.3759 7195.3098 4738.8749 269.3812 5949.3157 312.6138 6105.5084 6953.9604 263.5777 2110.8369 2237.2448 1992.1751 853.1753 601.0628 3466.4914 2806.9572 1509.9194
2-[4-[(2-Phenyl-1H-imidazol-5-yl)methyl]piperazino]pyrimidine 996.6531 4885.3810 822.8183 3011.6159 3611.5153 2456.4394 1290.7468 787.0695 6288.4805 5355.4652 3548.6677 2395.2088 3355.7592 1105.6074 1230.5384 1298.4261 2887.2698 2798.3640 5604.0384 2427.2643 11476.0043 2480.9402 733.0500 8174.8654 3776.3980 1984.1276 8335.5186 208.0030 1161.2744 5016.0747 1615.6513 1632.1206 4841.7596 2609.0839 5459.8742 4999.9415 4237.3133 3698.7991 4313.4842 5426.9967 4880.1186 9533.7158 6397.7248 5253.8487 409.5304 5076.8978 4011.7680 2594.1427 16740.0690 7420.6932 3014.9539
2-(4-((5_6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetic acid 2947.1386 1121.8723 5500.6834 2546.6601 6705.4615 1003.8767 2912.7390 2587.2634 7883.2393 4220.4515 3531.8382 1139.7685 2627.4681 5691.8497 2882.1178 3132.7892 1856.3126 1299.1881 2755.7425 2856.6610 3984.0866 3115.3266 3104.3034 10117.7398 2034.7239 1156.3420 1193.8638 8598.4792 3728.3887 7419.9853 3945.4479 2979.5155 4177.1948 220.4546 2599.9852 1864.7288 5116.2969 3080.3425 2568.9307 781.0839 4515.0011 3333.8899 190.7103 2778.0933 2861.6825 4438.9200 1030.9584 3308.7970 1021.0717 3526.7474 2761.0635
2_4_5-Trichloro-6-methylpyrimidine 12770297.9800 12914735.3100 13268501.0600 12943925.4500 13008359.7700 13183125.2900 13186860.7300 13309468.1000 12920025.4600 13151928.3100 12513000.7400 12916739.5000 12992643.8100 13255822.8900 13146828.7000 12962453.3100 12713282.1600 12820682.5000 12529449.0100 13010044.5200 12832524.9200 12927218.1200 13274655.7000 12763942.0100 12713315.4500 12693634.3500 12777103.6600 12720392.4600 12337901.6700 12884175.2300 12870417.8200 13149480.3400 12860679.7500 13066379.4000 12802855.8600 13023152.2200 13188148.1800 13293420.8000 13055968.0000 13045832.2100 13189163.3500 13324574.9900 12963060.0200 12933011.7100 12863747.5100 12871145.0100 12685535.5900 12845874.0000 12627956.2700 12873247.8100 12876528.2100
2_4_6-Trichlorophenol 114399.5232 113991.0365 118784.8063 126488.2454 122936.0445 115712.7017 141238.4657 120910.8297 112363.6446 98224.0062 117242.9204 106671.4902 123659.8879 125645.4822 130596.1427 122723.6618 114101.1415 106588.1199 123384.1954 123471.4973 111337.9864 123701.9184 131841.6755 124063.0765 119086.1741 123084.3827 132121.2041 131280.3794 112035.6547 124013.0237 110342.4281 113947.7681 121786.0531 119499.4918 109187.7096 124029.9954 111238.4045 133214.9842 86562.9664 112692.3881 113916.2180 125937.4622 110593.4800 98354.9313 114936.9784 132275.0980 96175.3258 133946.5356 89555.9138 128704.8565 122103.4926
2-({[(4-Bromophenyl)thio]acetyl}amino)benzoic acid 3693.5086 2222.2663 946.0416 1391.4618 1494.7686 479.0897 1313.1757 10756.9957 842.0266 1997.4308 3607.7914 586.9693 2142.6679 4114.3292 1209.1653 995.0373 1847.4506 832.5680 5407.3606 1055.4374 341.5188 2188.8724 208.1583 5565.7621 1644.0524 8111.3610 1723.1824 6575.7541 8868.8264 972.1310 615.4356 4223.8586 2399.8979 10605.8528 4185.8504 2313.7771 1033.8242 1405.7431 3333.1897 867.3422 6759.3859 110.5381 1741.5505 2852.2543 96.7427 939.7276 5147.1725 952.6471 3540.4357 8221.2514 107.1033
2-(4-Chlorobenzyl)-1H-benzimidazole 2212.2112 1815.0755 2465.0034 1862.3162 2533.1004 1825.9110 2840.5115 2565.7573 2356.5177 2281.7336 2418.8173 1427.1228 2638.8933 1813.2268 3381.3861 2360.6810 2697.4343 2437.5195 1908.0336 2660.7467 1689.7553 2655.5163 3089.9503 2433.6248 3234.3628 2204.3327 2213.2860 1921.2055 2502.2722 1471.7321 2383.3889 2842.7927 1602.4823 2936.9758 2428.7688 16679.3848 1758.9190 1795.0788 1233.6388 2199.2136 1387.5778 1495.8317 2421.8586 2675.4786 3256.6267 2489.1299 4586.1157 2086.8200 1429.1407 2498.0644 2342.1435
2_4-Diaminotoluene 42314.5240 38974.4929 42296.2254 39820.3832 40937.0481 38130.2355 45968.9528 41747.5523 40545.7303 41992.6855 41160.4426 40181.7053 43895.0714 39178.7958 47091.3071 44988.5984 42196.1986 40503.7175 35452.7081 45043.9317 33858.1540 43398.7693 46474.3835 42682.7493 44196.2623 36316.2429 42880.0363 40807.0442 41516.2798 34771.0639 41688.6786 43762.4000 34454.2202 45304.2348 43323.3831 39972.7470 38885.2604 41503.8934 38889.3347 38563.2714 32861.4724 39418.3547 43275.2239 43077.4238 48127.3435 44316.8689 42497.9460 45936.4832 33225.8062 39691.8330 44552.2312
2_4-Dichloro-2_5-dihydro-5-oxofuran-2-acetate 70648.9749 44860.0957 43002.8257 63111.8946 112413.0529 47790.5947 80337.3437 76351.9716 22336.4710 69799.3341 30186.3920 120589.5963 35341.6470 22750.4888 161502.1501 93047.4966 53076.5532 85632.8224 10212.6131 71201.9240 10367.0973 67959.0638 144573.8419 38669.0428 61958.0147 50965.9547 49554.5859 34263.6189 26561.8089 24084.2268 30724.7288 65400.0465 26203.7512 103465.0843 53383.5979 47852.2337 11375.7711 42026.2266 10043.3217 44560.8775 23474.4787 23088.1647 81559.7640 207258.2975 223214.8822 48182.0866 8847.6032 80228.2724 37725.0385 116850.2884 102392.5426
2_4-Dichlorobenzyl imidothiocarbamate 12925.7498 5636.5905 12174.9857 24193.8447 5694.0526 13229.1469 23658.9828 23736.7815 12770.3282 12971.6845 12103.1321 12861.1141 13188.5609 12726.8927 11951.0251 9681.6717 8119.4153 9857.3338 9460.0808 12940.0331 22936.5014 13358.5780 12688.6743 11844.7110 9422.2371 23274.4240 12885.4610 6267.7960 13880.8546 11687.2060 7942.6711 22220.5082 10968.4456 12412.4830 23795.9769 12369.5364 9500.8487 23009.0838 12329.6207 10816.8994 10351.0567 22527.3899 14891.8740 13400.4191 12533.2290 11360.5587 8583.5622 11067.3277 12506.5481 7119.9760 9212.9461
2_4-Dichlorophenoxyacetic acid 17541.9983 21632.8705 23344.3753 22757.5400 17638.1288 23832.7715 20318.4186 45872.1254 19576.7631 43771.8238 23350.3617 21778.4274 23428.6876 22355.0377 46646.1436 23876.1043 22438.0706 18249.5647 18417.6216 18462.9384 21873.9522 22485.5537 22421.8902 19816.0575 24320.9952 24724.7232 18729.7422 23704.4880 21768.1973 19148.0855 24061.0589 47354.1844 24171.7313 24113.1422 46109.4085 45837.7212 22937.0624 16952.9861 23175.4262 30489.5465 23342.2695 44238.3770 22680.9352 24082.9231 45877.9642 23671.6744 23140.8748 24489.1006 24295.2075 46535.2839 24024.2482
2_4-Dihydro-4-(phenylmethyl)-5-(4-pyridinyl)-3H-1_2_4-triazole-3-thione 6929.8287 4032.6191 6302.1874 4664.6061 7058.2123 5129.9290 7697.0956 8276.4046 7456.0945 6642.6319 6421.5036 5602.5411 7926.2065 6701.7264 8478.1484 6844.9774 8334.0319 6086.3959 5439.6525 7934.7635 5863.0484 7376.2273 8265.0122 7875.6794 8517.3043 7391.8294 6265.3317 6734.9078 7267.6430 3173.9059 7251.0765 8263.7821 4458.3457 8382.9289 7727.1534 6441.7707 4079.4003 5351.8199 4914.7185 6054.7097 5387.8232 4742.8667 6944.6048 7651.5146 6891.4066 8153.7623 7039.9377 7188.2338 6102.2124 6830.3539 7263.2191
2_4-Dimethoxy-N-(1-methyl-2-oxo-1_2_3_4-tetrahydroquinolin-6-yl)benzenesulfonamide 873.0134 16929.4069 565.4645 189.6599 691.6976 1214.5635 976.7413 555.0523 1351.2133 393.4635 645.1791 203.2324 1269.5339 2386.6457 1404.0312 168.9321 777.5197 193.2351 224.4012 2043.0578 1541.5145 158.3414 1185.8148 1204.6286 1001.4200 1923.8035 624.0507 510.8099 1115.3362 10108.6498 508.0283 1675.6650 1708.0073 2226.5983 364.8749 755.9316 2227.3582 195.8873 415.8172 483.9615 2061.4259 2329.0851 203.9597 1019.0311 917.6834 938.1492 841.0951 1067.2559 475.6193 1266.8179 2039.7047
2_4-Di-tert-butylphenol 2604.4651 6277.4670 6665.9297 6152.9736 6218.4264 6615.1389 6677.0586 5806.7830 6469.2898 5189.0237 5346.2392 6179.5833 4347.4256 4716.9869 6761.2525 5678.0851 6749.1510 8060.5041 4905.9235 7957.3733 5286.7827 6372.0127 6950.5226 6059.3029 6388.2084 6238.0627 5889.1208 5789.6111 4978.1160 5064.2812 5424.0646 6465.2002 5791.2979 6405.5244 6179.5070 5161.9963 4940.8794 6391.5058 5318.2104 5640.3884 4760.0367 5401.4376 5900.7700 5191.0686 6309.0008 5703.8355 5385.7861 6451.3711 5502.0030 6264.8004 6323.3819
2-[4-(Hydroxycarbamoyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide 3604.3808 2084.9847 709.1934 582.4428 933.3135 9631.7623 5036.1760 210.9713 1009.1710 1801.8879 4201.7791 513.4065 213.0182 2271.8998 2552.2588 5517.1796 285.8963 2887.0434 322.1623 1890.6709 2225.2462 8463.3204 22344.8729 2308.9740 3152.2881 652.7282 1935.7783 620.4161 107.1923 927.2123 444.9228 139.4972 3028.4128 1916.9591 1950.7137 1487.0213 492.5284 219.8027 88.3117 1715.0720 350.0977 260.6533 417.3193 624.8136 1196.2084 1884.6595 17631.2327 9263.9177 443.7810 2164.9377 1241.5235
2-(4-Hydroxyphenyl)ethanol 8539.9707 260.8901 155104.1714 24907.8987 40667.7533 74694.9594 66880.2912 576.2949 25191.6056 881.1532 246.2630 108123.6520 8768.7830 26825.0886 89535.0456 44583.2197 18668.7402 73127.2265 904.5267 25085.7579 1234.8862 11622.1280 23860.0733 22581.0839 10183.5065 15445.5842 13187.5164 328.0939 1423.9772 310.1378 9056.7771 5535.8320 23247.4507 130.7666 31492.6725 52747.3410 810.7459 6653.8061 118726.5452 26946.7000 13504.5744 342.2630 27295.3815 1244.1133 82369.1319 33699.7258 21519.3462 159831.4654 289.9070 48089.9749 34771.7436
2_4-Quinolinediol 1237.6546 13101.4002 2754.2401 2213.1137 21468.2815 718.7875 10816.0769 8531.6647 67869.3841 9629.9850 18705.4285 8513.3301 17925.6492 27568.6209 5044.8525 4986.6634 56640.0544 4153.2195 34897.9003 1324.3765 23443.7626 18092.4637 19462.2303 35744.1450 10106.7741 1326.8766 3631.5041 2746.1212 186.5935 24673.3483 2454.7572 6436.0780 5709.7149 18425.7113 2418.5685 8302.5456 87526.2631 1856.3135 52069.6769 15781.4186 3597.1966 3013.7379 86065.1089 14242.9444 117350.6793 1274.5597 1067.7656 4396.4541 19617.3104 18293.8278 55796.9153
2-[[5-amino-1-[3_4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioate 1899.6588 5979.3287 1355.0831 822.5892 15987.6793 9218.3866 8903.0977 6468.9158 1458.7876 6941.3080 6495.7059 9807.4266 1982.9924 6757.7572 8044.5531 12813.9824 27793.7551 6771.2732 5922.6877 35932.9504 6520.3968 7318.5768 10034.0224 6333.3228 7341.5997 5672.8816 393.0027 5836.9990 6764.7691 5718.8027 6442.5825 1732.5108 6001.5211 10309.8128 16206.3576 6434.6783 6132.0423 464.5503 7466.9762 4755.0817 6392.0325 6102.8347 9287.8800 5967.9669 15615.7472 8498.1486 6417.9610 21932.3062 5337.6850 6958.3033 5986.3100
2-(5-Bromo-2-oxo-1_2-dihydro-3H-indol-3-ylidene)malononitrile 6908.3974 6301.3993 10652.1691 12090.3703 14875.8434 12540.8173 17237.5477 16018.3366 8857.6592 8054.0200 14039.5820 4222.7886 14283.5827 12259.9042 19143.3492 14611.2071 7620.7026 7244.6096 6817.7834 11398.3485 8774.1319 6696.9949 8290.5535 17594.2472 23349.5279 16132.9369 19741.8659 18341.8421 13900.2024 3290.2771 25200.2315 25437.9098 21545.8207 20299.2459 18923.4026 23517.8898 13760.3439 17907.7492 17858.5673 26767.3919 22110.6118 20284.3977 20784.0849 28073.1518 12942.7765 17132.7169 18645.0583 17184.5331 19403.0618 24880.0382 19970.9900
2_5-Diaminotoluene 1775.8095 4503.6211 3183.7539 2213.6965 2159.6672 1678.4343 914.7780 2849.3614 1057.0664 3598.2894 3586.4297 1031.5701 3434.2831 16231.6542 2266.8492 18217.8535 341.8745 3197.9329 261.9219 989.6656 978.8647 1381.2715 1787.0872 4800.8601 4249.8159 1416.7745 520.6132 2576.2829 3430.6960 10040.8834 1406.5050 2685.2584 5000.0608 3635.5143 2623.1839 948.5572 2339.9100 954.1305 166.8306 2237.5900 7134.3864 500.6644 148.9907 1221.7507 125.9426 1477.8282 2197.1129 4888.0048 731.7856 2195.3353 1200.5730
2_5-Dihydro-2_4_5-trimethyloxazole 18026.7212 18191.2304 19078.7402 19589.9364 18498.2579 17919.3422 18817.9775 18921.6278 19251.9902 19794.9188 18659.3283 16235.2737 19477.9061 18343.2932 21071.4856 19673.6195 18485.4996 19454.5820 18418.3492 18796.2527 18319.9653 19400.5168 19428.0944 19262.2055 19422.5687 18731.4179 20497.8428 18097.9751 19084.9601 17950.3799 19389.4352 19109.9742 18730.4547 20099.6682 18732.3475 18770.8297 17844.7523 19320.9064 18247.8514 19410.9110 18414.4807 19129.6671 20510.5137 20371.1195 20941.9522 18301.2821 18679.3561 18193.2172 17811.8874 19582.0570 19478.3062
2_5-Furandicarboxylic acid 40009.2377 1111.3876 21891.0370 9900.7081 17310.6197 24997.8385 30793.4916 40123.1111 14970.1119 1349.5713 15613.0707 27876.6213 10294.8434 13722.8585 16698.0744 4850.4189 15016.6915 15765.0325 10252.7781 1282.1671 2522.2682 8337.7633 22203.7167 2553.9017 6965.2177 29526.7791 9898.5790 9984.0762 20352.3112 1851.9831 5343.6095 23400.3623 14246.6302 24860.2565 20805.5691 14916.7876 7819.5767 3275.1954 7601.4849 8000.0844 15502.1144 1742.8493 5723.4127 11448.3530 9722.9343 3003.6536 17393.0891 12390.8083 11871.8676 21453.8810 12611.0070
2_5-Hexanedione 311.4028 43125.8190 423801.7831 110.8240 300.8491 102360.4691 6659.6197 676.7792 11010.7601 612.9967 20617.0818 1051.3792 26.4298 152.4548 1393.3117 4472.0842 27617.6672 254.8572 21.0942 45.5022 153.3737 37029.5443 1155.4004 42522.2856 20.4402 25.1874 311.6525 270.4033 393858.9889 40715.7187 3941.3366 7269.2034 46.0193 25778.0340 40317.4881 26115.8200 28854.3891 73203.6740 28237.8941 31.8730 74.3897 125.2393 40495.1319 56.0564 23.6014 165355.8915 837.1411 50047.3236 20.7161 23.3547 66.7617
2-[(6-Chloro-3-pyridyl)methylthio]ethylamine 4320.6178 4191.6858 4570.3116 4640.6984 4426.3633 4681.7581 4602.0932 4784.8943 4427.2080 4501.9711 4923.0132 3960.7704 4462.6223 4452.2505 4732.8440 4447.9129 4179.9103 4347.5474 3690.0908 4219.6245 3939.1190 4333.1822 3966.1203 4588.1308 4097.4884 4445.6210 4367.6351 4776.2994 4325.1917 4531.5935 5022.3804 4823.8440 4518.1036 4542.8877 4172.7678 4320.7695 4380.5937 4044.7288 4606.9376 4652.6891 4533.8264 4244.3800 4421.4026 4424.8446 4037.2632 4388.2820 4342.5120 4997.8203 4742.7883 4386.6774 4464.9755
2_6-Dibromo-4-nitroaniline 857.2744 456.3869 1061.1774 484.5032 955.5545 556.5296 797.8667 642.5167 514.4822 469.1875 456.2277 950.7158 483.2875 326.9085 571.3289 587.4370 441.4721 759.4088 476.1945 687.3054 723.6129 465.0044 794.0701 373.8843 397.3967 352.0553 844.3161 766.4506 488.7025 206.4754 272.3452 987.1160 534.7806 465.5870 1238.4864 485.5897 591.3751 353.7978 581.8626 554.9796 397.1543 758.6791 570.9221 691.5438 820.5915 615.9909 219.3194 716.6612 1057.2593 586.6727 453.2441
2_6-Dibromophenol 1668.5696 690.2293 1724.1576 1739.7850 1004.6008 1242.6862 1096.6967 1798.5850 1077.8031 1176.7766 1802.3744 1992.2740 1667.8582 1143.5889 1525.7201 1874.0211 1449.6220 1207.7619 1441.5961 1439.3228 1009.0142 1890.2627 1816.0866 1688.1752 2011.6005 2920.8345 1122.6774 2228.6544 1829.5847 1813.1377 2089.4471 1751.1875 1684.4044 1497.1733 2212.2036 1153.2846 1425.4224 1273.8975 1770.1159 1315.1011 1651.4037 1193.3507 1386.5888 1689.2354 1758.6094 1127.1377 2510.0856 1265.2167 1773.4341 2833.9708 1665.9042
2_6-Dichloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine 19790.7193 605.3075 1771.8381 1819.2549 887.3207 4159.6396 423.9511 3397.3721 1682.9159 1446.9180 1315.6552 303.3474 102.2904 357.8590 317.3821 6539.8475 672.5605 2355.7689 5204.9176 442.6789 1159.0545 1511.9446 3756.0533 5005.4811 1500.9547 2736.3571 1198.6071 79.7972 479.2731 1949.0751 28363.1620 2250.1038 2583.7578 745.5294 3114.2139 2620.6413 3754.3829 2579.9680 2723.6773 1691.2750 6493.0155 891.3045 1077.3622 3083.2273 2608.6605 443.6318 364.1421 658.5243 6225.1424 1301.3789 2956.9593
2_6-Dimethoxy-3-pyridinylboronic acid 372.5558 862.4364 1358.0251 1015.9266 1869.0265 472.7280 330.7940 444.4735 1102.8430 504.2738 535.9963 549.9264 975.2704 750.4701 310.0590 1165.4368 777.7093 969.6116 1539.1213 792.3107 947.6891 508.5223 1260.4809 1112.9232 2205.6788 262.7004 1499.6648 693.4548 278.5026 155.7413 864.5965 143.9999 448.0645 697.3272 1325.9596 957.8940 235.1546 1680.5239 616.2823 1239.3475 134.3588 289.4592 1015.3445 978.3661 480.0330 1863.1471 765.2880 1016.8537 1180.4306 953.5702 747.7190
27-Deoxy-5alpha-cyprinol 622.0296 1232.8000 1530.7588 341.2331 571.9015 1260.2389 484.3371 141.2420 1936.8770 1289.3942 570.5470 428.1741 1074.6377 618.3263 568.0277 712.4120 637.5474 796.9520 835.4668 243.6390 414.3085 1878.3862 378.1824 558.5893 525.6765 1049.7503 1097.7392 727.6045 424.9480 1357.0910 481.4191 235.6750 353.2698 652.1482 665.6283 698.2525 829.9529 662.5993 839.9167 121.4273 917.9339 1229.4329 102.0176 668.1145 101.2007 708.0716 1261.0709 136.2839 765.2151 878.3233 664.2492
28-Homobrassinolide 2995.4292 5908.5673 3152.1598 4216.7680 3801.7684 3731.9848 2992.6538 3393.0193 3939.0006 4548.5729 4886.0439 3422.7038 4789.8141 3937.7496 3751.8981 4427.1853 4325.2032 4655.9814 5063.2525 3324.2481 5278.0982 4457.4671 3306.4339 6181.2052 7401.7313 4422.9322 4723.4804 5396.1437 3435.0397 3172.6654 3768.5318 3107.6045 4095.8090 5021.2684 3952.8074 5715.9708 3299.1739 4476.0327 3953.1699 3767.4351 7026.3346 4970.8954 4373.4087 5022.9450 3124.5979 3512.9421 3318.7858 4009.8027 3219.8809 6570.5465 3766.7904
2_8-Quinolinediol 24065.4648 17914.5236 3584.9000 3689.8699 35201.3029 2667.1684 20994.5044 17629.7195 116082.1055 16640.4990 29259.7899 14177.9561 30252.5906 48248.0222 9614.3313 8246.8982 95761.3285 7197.4102 51452.8106 2283.4978 34734.8653 25197.4651 745.3905 66304.3601 23981.3990 3545.4870 6284.4511 7484.4366 1124.6796 35316.6182 2848.6551 12042.0764 9583.7366 33486.4391 4451.8221 18945.3260 112693.2196 3710.1312 73342.2078 31344.7868 5895.5774 5007.3819 111776.1458 21343.2164 191157.6881 1373.8112 1393.9602 6992.0369 34504.4062 39165.9232 99171.0650
2-amino-3-hydroxybenzoate 1185.5073 901.0567 2101.2779 1125.8446 814.7727 503.4589 963.2483 988.5397 961.8916 800.0130 181.2400 143.7849 893.5146 781.6778 2507.7752 843.3102 2440.6540 1956.1035 1022.1291 2074.4763 852.5173 769.9728 127.0584 2093.8716 1275.6783 862.0614 777.8548 836.8811 566.2537 837.8237 866.8914 512.7429 122.9749 648.6271 1372.5175 978.9780 704.9871 1268.6408 816.3910 831.9585 811.7712 262.2498 139.0763 2646.5146 169.4674 252.4948 293.0524 674.4399 930.1577 1051.5777 1318.7498
2-Amino-4_6-dichloropyrimidine-5-carbaldehyde 3855.2690 4952.8273 6822.9932 4116.8694 5259.1307 6349.1720 7538.9267 7027.0931 5639.8149 3294.8977 5009.6505 5797.3743 5560.3221 9477.1301 3629.7896 4114.9782 5269.3902 6513.2103 7955.8218 4076.9342 4685.7112 4856.3603 7129.5675 6566.9854 7518.8337 7895.3599 5189.8347 10349.9323 7206.0503 5712.2256 6826.5074 5731.1217 9567.7462 5701.5036 8638.0033 7374.8931 8736.3154 4253.9316 8242.8546 5243.2019 8632.0279 4472.3243 4523.4358 5342.4302 2500.6225 6023.7880 8187.9484 5581.9625 6694.7429 7010.3181 5891.8376
2-Amino-4-phenyl-4H-pyrano[3_2-h]quinoline-3-carbonitrile 3702.8613 3942.4954 3489.6397 3635.6670 1491.6592 2948.6858 3412.1018 5140.1886 3570.6366 1171.0957 2948.2663 2445.4383 1725.8697 2080.6074 702.7927 1638.7533 3024.5791 2645.8740 4981.2161 1528.4735 938.7969 736.0660 3647.8607 4149.7468 5213.3711 1349.7508 3064.3674 3164.0278 3058.4704 1962.9088 1625.7711 2826.4339 3106.8760 773.6578 3626.7457 5296.1412 278.7910 190.7400 2299.6875 2084.1705 1738.7051 846.0580 2331.4917 3772.8863 549.0609 4300.5676 2713.5659 3145.6077 1844.1642 2437.7781 1428.7887
2-Amino-6-cyclopropyl-4-(4-fluorophenyl)nicotinonitrile 1096.8846 3298.0500 757.1830 961.5234 475.3725 662.8898 150.3814 915.3196 260.7120 6713.3931 983.8410 874.1651 416.4761 1166.2609 146.8577 1402.9897 758.5788 342.6068 1267.1190 575.7836 1022.6298 1166.9512 740.6795 1357.9384 874.0007 1066.9901 865.5482 341.6460 1025.8039 197.4154 777.1344 1667.5231 721.6238 136.0529 170.2181 690.1598 580.4587 892.1215 628.3780 854.9904 809.0444 265.5812 448.7609 1161.8188 590.1570 874.9755 774.9366 143.8673 452.6113 710.0857 554.5842
2-Aminoethanesulfonic acid 550.8226 1894.1527 1939.1872 1587.5401 859.2570 345.9135 1153.3731 3634.5689 1644.1576 1736.2473 2064.2211 1890.5225 1352.7780 4429.2501 2193.6087 1731.2161 1941.3033 1792.9812 1997.1578 1433.5093 1729.2745 933.7468 1155.6123 1777.1595 1834.7058 3503.1961 1516.0916 1904.1118 2952.3066 1745.7343 1166.2362 4499.6453 2076.3944 1035.7846 1648.6968 1779.6540 1909.3091 1639.8216 824.7478 1506.3385 2238.3619 1724.3918 1473.4538 1094.5360 1612.5469 168.9451 1043.3978 1406.5801 239.0644 1650.7458 1844.4864
2-Amino-N-cyclohexylethanesulfonamide 1971.9328 11489.9543 21627.5020 2762.9960 4931.9681 34901.0859 36441.9637 255.0117 14461.9538 1527.9442 7991.2334 18210.6811 9505.5272 5250.5958 21674.0122 1233.6002 1350.6653 10808.4436 9745.3147 30508.9713 23133.4630 15255.4729 40050.3673 16439.5412 116.6506 7732.8527 163.5302 2351.1139 33690.8036 34381.2932 318512.9875 17039.7594 124.4852 3444.8627 306.1516 263.2045 19888.9788 11084.5709 129.4691 126.0271 101545.7509 327.1620 20829.9132 2829.0715 28892.6709 35294.5542 763.0006 33202.3383 11521.2362 328.9753 8078.5489
2-aminopyrimidine-4-carboxylate 4307.7495 1200.1955 9112.3513 688.8960 933.7709 3180.4525 7485.2104 613.8442 8270.1975 127.7091 191.7015 3961.3319 1024.0798 122.3400 3554.6047 7847.2284 805.3563 1885.8454 429.7658 8255.5283 710.0107 450.2834 5345.0775 855.1996 690.2523 1042.1633 3315.6423 139.2270 271.7993 239.5465 1700.1646 574.5000 427.3418 680.5461 4612.0529 243.3834 260.4452 1234.5023 789.0977 1740.9823 1730.2959 614.9269 877.2683 1043.0062 2664.7237 677.1342 2204.5097 11640.1801 4859.7972 2263.0537 7841.2128
2-azaniumyl-5-[[1-[[1-carboxylato-4-[[1-(2-carboxylatoethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate 866.5202 1992.6449 1171.5993 1281.5191 2676.8270 935.9958 216.2036 2389.9985 3026.0158 2145.2184 4397.3756 1236.7129 1668.1524 939.5811 1234.1651 1453.9753 1169.1565 1943.7862 3674.3247 1543.9643 1715.2045 2278.1155 879.7864 2506.7785 4929.9895 600.8349 2207.2270 4551.5190 5526.1666 1181.4586 2936.1880 936.1555 4360.6602 1874.1760 1252.3234 1724.7503 2614.8088 3014.6799 4049.6620 3549.7889 2047.8272 3715.2327 609.0242 2062.3281 448.8726 445.0073 5374.5375 2474.4756 1451.0912 1009.1917 765.5494
[(2-Bromobenzoyl)amino]acetic acid 1492.8948 1695.6682 1525.5132 1396.5256 2905.3212 1282.8894 534.1917 1334.7765 1594.5224 2076.8736 1243.4983 1526.4158 1530.9483 4434.3206 697.2410 1438.3513 2030.4073 1810.0282 1213.8789 1664.8103 1006.3627 2173.7292 311.3964 1674.8989 1325.3008 489.4360 1362.3779 1519.7096 1628.3432 1494.6414 1541.3973 1448.7433 1014.7258 1572.7511 1396.6688 823.1183 1301.6058 1486.9314 171.5940 146.8896 157.2385 1084.7344 1267.2398 1093.6448 2434.3522 1784.0902 1573.7435 1688.6083 832.0797 1671.8654 1663.6767
2-Bromo-N-(2-thienylmethyl)acetamide 10437.1381 1576.6037 12274.5739 8176.5840 8366.7368 9425.6777 11932.7128 9823.5273 10188.6050 8454.0736 9546.9836 6637.6735 13063.6764 7453.9598 9785.3658 11429.0272 8775.6108 9124.3402 9574.7339 8415.1737 9697.2438 9078.8258 7335.6710 17603.0142 13067.2335 7091.6814 12766.7647 4918.2008 11496.8289 9084.7727 8515.6320 16895.7218 8079.5157 10946.1360 11448.5635 10513.4131 9124.6615 11282.7052 21224.7657 10131.8536 10475.5642 9130.2476 10554.5176 9094.2932 12004.9455 3337.4558 10254.2730 11259.7989 10430.7475 11460.7450 11535.1583
2-Butyl-4-chloro-1H-imidazole-5-carbaldehyde 831.4296 70.8282 881.2602 989.3808 680.0042 1131.3164 1287.6558 710.8361 809.7164 395.9456 404.8025 329.2413 6232.3727 4855.6018 1564.0674 1329.2159 4518.2496 582.3265 2264.2700 4541.5805 1323.4297 195.5939 95.0025 244.1185 1704.4998 649.1296 925.0064 6310.0914 710.9257 941.7415 3256.3052 783.9102 703.7927 1061.0100 950.2896 771.0852 357.4909 260.6313 1212.1292 273.8437 1164.6454 1365.5487 1334.9871 603.6820 155.4406 342.9640 164.0473 181.6232 474.1791 1048.2626 301.2340
2-Chloro-1_1_1-trifluoroethane 1464.2507 1850.2190 1153.1895 1800.7259 1374.2966 1493.5367 1291.2263 1847.7159 1618.8306 355.5023 751.1578 1302.2526 1436.3801 1771.8827 1114.1310 463.4049 1565.8563 768.7961 2135.6447 1112.3861 2134.3633 1550.3702 297.6459 4357.2167 976.8899 1695.3880 1963.7421 229.1881 1580.5608 401.2709 579.8898 318.0893 1643.1024 1828.1313 319.7324 1061.0498 1640.7129 2961.4094 3357.0352 4396.4876 1603.5702 429.3429 2795.1085 4932.8932 1303.8897 3599.9242 1458.9233 1333.6831 2015.4104 4430.2721 1354.4973
2-Chloro-5_6-dimethoxy-3-(2-naphthylthio)-p-benzoquinone 1027.1540 1173.9865 1113.9466 1292.4549 1534.3153 1333.1319 1564.7104 1423.9008 1264.4287 1165.1224 1392.0285 1045.9518 1420.3282 1227.8771 1389.7105 1373.5603 1110.9960 1161.5584 1107.6657 1225.6015 1192.0371 1329.1842 1215.3322 1516.2319 1629.4292 1260.1841 1097.7770 1482.7564 1194.8200 1184.9191 1552.1126 1242.4920 1371.1085 1158.3063 1105.8378 1362.5175 1360.8682 1207.6207 1619.1237 1392.0941 1166.0608 1108.5528 1361.1611 1120.3439 1276.8119 1424.3534 1232.4778 1420.3699 1332.9769 1411.5716 1410.2413
2-Chloro-N-(1_3_4-thiadiazol-2-yl)acetamide 2591.2054 1103.5623 1793.3921 1956.0230 2832.6578 1624.1690 3067.0027 2481.9591 2195.2154 1031.2520 1614.0467 1691.1492 3178.6958 1879.9330 1528.5150 2783.1325 2337.6128 2188.8536 1669.3872 3562.2354 1396.9177 1682.2849 2461.4743 1468.2644 3209.5073 1768.9014 2023.9040 1439.1768 1344.6146 473.5421 2776.1375 2716.1571 1717.7819 3151.9098 2739.7831 2040.5128 424.0162 1030.8135 1641.3608 2290.8906 1277.1538 968.4127 2388.7897 3644.3555 2564.6423 2857.9061 2327.6267 1248.8606 2286.6122 3172.7911 1781.6510
2-Chloro-N-(2-hydroxyphenyl)nicotinamide 1256.5773 1405.7289 1395.7146 1659.0883 2541.2927 1214.7491 138.9592 684.4135 1212.6630 1518.2334 1291.6032 1400.1771 1315.5834 2611.8007 576.8402 1015.1970 2104.7267 2294.8358 1558.3337 1343.9900 239.3408 2441.4529 1073.8568 1389.2597 1308.4137 1170.8735 951.3222 913.0045 1093.7336 1261.3788 1048.5784 974.0426 244.0849 1259.7794 1557.3431 1088.7128 1220.2263 1275.9211 184.6329 145.6378 417.6324 1077.7345 893.6408 1278.5955 2213.0844 1391.4499 1136.0000 1309.9730 1002.5882 1043.4292 1245.4209
2-Chloro-N-(4-chlorophenyl)acetamide 1801.7856 1505.4710 1401.7828 1949.9448 1870.7489 1300.1753 2104.4726 1801.5909 2499.5852 1767.0080 1726.9042 1995.0445 2000.9370 1085.5312 1698.1208 2159.3417 1775.6383 2053.3388 1362.2349 2038.9508 1675.6695 1757.9509 1947.3292 2296.0559 1913.1990 1781.0876 1819.7526 1743.5298 1783.4302 1631.3878 1751.4032 1936.7715 1890.7648 2012.7771 2191.0751 1716.6706 1847.6365 2115.2987 1738.8892 1799.9372 2006.7202 1688.9047 1919.1396 1980.3951 2037.2110 1925.2227 2033.4804 2239.2109 2254.8303 2144.3473 1922.8323
2-Chloroticlopidine 230.1034 347.3905 558.7267 867.9046 512.1650 573.7035 481.6756 766.2220 461.5690 585.8282 600.0203 468.2459 579.7142 610.5663 536.9399 199.8288 184.5503 576.9702 607.4151 538.5706 292.6024 268.2393 493.1445 991.5235 1707.0826 1152.9028 515.5650 1170.3962 885.8315 456.6047 749.0962 186.4770 600.8246 422.1557 1422.7292 177.6428 541.8613 578.1595 589.7928 578.7779 614.5597 369.4136 206.7595 596.5268 476.0715 258.6241 569.8084 579.3550 560.0498 1047.5144 474.8732
2-Dec-9-enyl-3-hydroxypentanedioic acid 764.8228 4225.1524 3137.2468 3613.9856 2744.2413 1464.5254 2733.2659 4766.5092 3447.8696 6957.9876 7097.3087 1155.7896 2196.5121 5351.8858 678.9240 4534.0985 4237.0527 954.0918 5218.1524 1071.5538 6567.3956 2534.4661 723.9441 2898.1618 1176.3427 9044.3476 12655.5655 7543.5411 2371.1701 8126.2753 1354.9581 8979.2482 1072.6529 3576.3771 14887.2037 6146.7988 6969.1228 514.9101 17753.9515 4275.9543 25912.9772 10853.9238 10003.0607 3182.0276 3924.9391 10215.9765 3330.9571 1807.9142 1637.0221 2709.3979 1675.4166
2^-Deoxycytidine-5^-monophosphate 8910.5196 1015.9591 9232.4827 2882.6613 4193.6023 3156.7309 630.2167 8509.9142 1487.2827 1948.6459 3105.0764 2750.2331 3815.0905 5625.2364 1989.6407 2604.4430 6099.5001 9522.3745 4598.5781 8058.9299 350.4756 4687.3813 1810.2426 11450.3373 8207.0985 11812.3315 4282.9834 5642.9548 9053.1061 959.5733 2084.7881 6799.0670 2355.8615 5127.7286 8839.4062 4731.7286 1485.6141 10373.5689 1398.1910 3758.0700 1236.6969 4083.0246 3132.9982 15752.0602 1686.7767 3476.3440 5301.3328 4001.7269 2938.4118 9572.4669 4269.3797
2^-deoxyguanosine 11425.4014 6975.5558 1709.3940 3675.6926 1233.0647 8744.7107 6926.4239 40872.2303 243.5991 6174.2573 8893.2243 7753.4084 2600.7751 12705.4031 7322.3855 1459.9910 6605.3763 739.1932 12799.1033 5827.2132 562.8737 7573.8415 8567.9325 15114.9670 1913.9993 19840.3694 559.2688 26980.9819 27279.2260 2276.5689 7340.1577 9425.0788 9988.6891 29145.5432 7924.7084 6417.0582 4800.6542 1583.9151 7198.1048 3750.1952 25102.0605 469.9603 6213.5515 8264.8039 5952.7842 1018.7593 13727.7733 5570.3144 6302.2655 18075.9132 5297.7695
2^-Deoxyinosine 11255.5047 757.9720 1973.6508 13317.7633 2161.0057 586.0542 309.7294 50180.3759 759.5698 1262.1037 27326.3329 2480.0669 7398.6902 18972.9174 978.4147 1797.6653 1043.9206 1992.8569 47635.9916 875.5783 1839.9097 142.9618 132.9706 15319.2097 3506.2329 40709.3606 7037.7198 33862.1186 33687.5782 13072.1267 641.3206 19538.4867 20960.3875 35379.8545 20170.6692 14159.3589 13228.1118 2230.2558 36321.5868 12523.0034 51221.5213 1433.9466 9832.5003 10842.7933 105.7190 639.2360 18226.3436 366.5588 39141.9105 48000.9922 551.8834
2^-Deoxyuridine 1591.3021 1953.2782 2313.4084 165.4449 2095.1624 2817.2852 2157.5176 9114.9990 2248.6118 2180.1558 2265.1965 2302.7583 360.2862 2735.2155 2690.0469 452.9238 2128.8095 2225.1735 4523.0439 2076.3199 2411.6447 2282.2391 2774.3843 1544.3601 2939.9483 4882.8862 361.1390 2387.9165 7117.0155 944.1119 1816.0921 2800.4774 3266.1781 4516.6157 2978.3908 1903.7884 808.4856 1920.4080 3743.2122 414.0767 11526.2719 1856.1356 2232.9298 2786.8258 1797.5755 185.3484 2934.2650 2544.3965 3747.6262 7012.9791 1821.7801
2-Dodecenedioic acid 18354.8568 1742.2299 6319.6563 4943.6631 3114.8173 5651.1686 7524.8201 3008.7170 4981.9973 4447.9084 6494.4580 7409.4451 4357.0417 14046.6323 951.8503 7518.3280 2169.3626 4519.2045 3808.7423 7938.9007 5674.5500 5450.5393 6565.4954 464.7574 7922.3345 5087.2938 4376.3347 4325.7958 8540.8210 5435.4876 7620.3114 4319.8417 6167.1120 4802.7445 2620.4933 1615.3509 576.1863 4704.5621 5544.7935 5323.6795 6429.5455 5362.1796 6793.9931 2514.5010 15904.0890 25341.7467 6478.3146 462.9370 4263.4600 3957.8570 1831.4488
(2E)-3_7-dimethylocta-2_6-dienoate 1481.5409 1167.9868 240.3558 858.8094 486.9751 168.9866 1175.1084 233.2262 3404.3850 1562.5846 1320.8440 1440.0615 1499.6552 2605.4501 1272.2753 358.2580 1092.6835 1750.8943 3586.0389 1218.6897 361.2640 1673.5549 1117.6537 2932.1462 3066.4598 1430.3214 1897.6810 5221.6086 430.8540 777.1330 5751.6483 1241.5250 1918.0829 524.1116 524.3527 1280.1501 2099.9881 1465.9157 1792.3036 1456.5979 1645.3414 1028.2767 992.3361 1049.1688 1353.9060 1542.6614 2345.1349 1423.3754 182.0246 1167.4485 1022.7540
2H-1-Benzopyran-2-one_6_7-dimethoxy-8-(3-methyl-2-butenyl)- 9034.5418 8008.8266 9701.9374 4554.2171 1819.9001 72.7549 3083.4670 3026.6376 2736.8270 4003.1253 3712.5761 589.3792 2140.0705 8749.0455 1865.5034 8588.7449 350.5164 1082.3809 5462.3110 3532.3574 4498.1745 15519.0602 111.3357 6001.3780 5339.7093 7082.1350 3127.4979 7541.5809 12281.1277 2146.5274 4743.5086 13772.4203 2891.0737 1663.0589 2270.5346 5649.8997 1396.5868 6371.9395 7262.3938 2626.3350 4499.2735 5085.6721 3379.8960 2733.1646 1019.3069 3700.0137 7986.5692 3142.9841 2860.5079 2357.0761 1536.9057
2-Hydroxy-2-methyl-3-oxobutanoic acid 4547.8051 16468.1936 7015.8440 23145.9871 9821.0125 8166.0739 3596.3500 86543.4822 8993.4119 40041.7861 57108.9694 16209.7474 6304.0372 41532.9223 5343.1414 4194.8300 24736.5400 73134.9707 25518.3482 2967.5146 46328.3328 8998.2468 6573.0484 14770.5225 13467.1246 21077.2941 42660.4951 14244.0756 9998.3341 15781.5534 11371.5419 7013.6561 50982.4817 28657.3430 16806.8593 63811.4227 156704.0320 33384.0266 4096.3373 2320.7564 136278.8920 29680.7341 5023.7955 102722.8422 12720.2459 5255.9582 6690.8922 2403.8845 3295.3167 46193.6498 10599.3864
2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid 1262.5767 3642.9889 11651.2669 2294.4763 4064.7602 5891.4764 5195.2220 2684.2783 2598.4625 3696.8054 2373.1171 7856.2010 989.7387 3349.9241 7265.6653 4131.0494 1556.7440 5794.3934 3338.8488 1894.0704 3122.7181 954.7463 2051.6021 2913.5646 189.7959 1266.5085 1044.8779 2073.6564 2822.5070 3611.9546 167.3912 236.9029 3236.3485 3393.0735 3186.7150 4444.6920 3791.6233 352.9221 7720.8959 2910.9802 3514.4656 2982.0959 3063.8656 3006.0836 6825.5118 3171.9632 1435.5410 12081.8391 3610.4842 4099.6428 3051.6250
2-Hydroxy-3-methylbutyric acid 19820.8132 7035.6244 36130.9785 1250.0438 1617.9552 10004.9015 11947.2250 1304.7916 11736.2326 3707.7212 3082.9712 48012.3869 872.0158 3070.1123 22114.5302 26125.0136 4665.5371 947.0551 2442.2534 17355.1838 1387.4252 6294.6148 1440.0397 2833.1041 1483.6916 1490.5446 1910.5130 4415.1823 5163.2526 641.4453 1102.1418 2569.1561 419.7469 29727.8571 1788.0001 12450.9444 6019.1260 2133.7166 1256.5330 1540.1611 2577.5453 423.1736 3902.9967 2191.9848 46597.9453 3363.6724 2153.7443 13441.4248 2370.8109 2488.6807 51708.7854
2^-Hydroxy-4_4^_6^-trimethoxychalcone 1152.3423 14957.0075 524.3208 32729.5274 279.3868 123.2837 320.1825 8403.0888 928.3626 8003.2150 13952.1000 29348.1513 9069.6657 33955.0812 4873.1615 11419.7633 5217.4006 12854.9986 39290.8611 3992.9179 12416.5520 5695.8041 3859.6992 6239.8132 6249.1736 1104.0266 19155.8711 54507.9216 10429.7828 34641.9492 1129.5293 110.4852 15015.8448 10103.0667 558.5314 26588.2491 68881.5422 6434.2902 14534.6359 11634.2781 67802.8038 6179.8910 37299.5225 37297.0865 1427.5601 7025.7337 8354.5801 3585.2482 41693.8337 27372.3443 1217.5240
2-Hydroxycinnamic acid 1541.7631 18786.0182 1476.5064 24483.0680 6019.8358 1163.6257 693.9420 9803.0661 919.4869 7392.5034 13838.5367 614.2074 493.1251 6188.7532 114.4478 391.4838 224.2739 1665.1919 9619.3813 711.2075 20560.9188 108.7511 1562.5110 10514.0475 6616.5353 7932.0323 12420.5489 9369.0451 1041.2468 10922.3087 1234.1047 4224.4494 38752.4924 919.5601 2469.9880 7129.9327 75702.4145 4571.7287 31601.1594 14672.9155 25823.0952 27908.3650 23446.9027 17477.8702 4300.4698 90.4603 414.1431 706.4612 14129.9801 2624.8607 658.7295
(2-hydroxyethyl)(triphenyl)phosphonium 1134.2766 988.9797 1002.7021 1165.5621 1033.8146 544.9844 838.1329 878.3213 1157.4040 1493.1983 958.0669 1121.8821 1009.0332 592.5051 1006.1091 1082.8847 1159.4993 1497.1236 1721.4025 1140.7403 1407.9678 1073.3258 1273.3933 1021.5761 1134.6178 806.1568 412.8489 805.3838 1104.2831 1053.9639 1147.2944 1115.3318 242.0553 1152.4127 1012.8995 789.9706 696.8535 968.1272 210.5801 416.2911 258.3344 878.7650 2282.0716 767.7336 631.6085 1255.0388 1022.3072 3002.2933 387.7887 950.3197 933.4297
2-hydroxyhexadecanoic acid 7682.8037 23798.4134 8177.6456 23095.8625 1509.3544 2317.9538 7479.8737 11163.7594 26626.3455 15657.2534 10420.1779 7917.8243 9550.7146 3072.5177 2696.9481 33949.1267 6905.6819 7918.1359 13354.2021 2734.9379 8812.7143 28055.3697 192.1473 209.5208 4133.0454 5156.4337 8540.8967 4554.2716 8965.8704 72855.4968 328.7316 3448.0364 6434.9400 15388.1123 19987.5430 24072.2221 23720.8364 23348.8977 30956.4454 5641.5402 7320.6743 20738.4701 3276.5603 2497.8016 12715.7776 5372.5456 617.8528 99.1591 5609.1157 14968.0191 13477.3976
2-[hydroxy(oxido)arsoryl]acetate 2113.2622 2860.8171 1948.7646 990.4500 1588.4048 2515.8410 1848.7556 3401.4663 2201.7452 1742.6575 1599.7166 2266.2365 2800.7108 2742.0799 1902.0820 1773.1457 2988.8373 1746.2066 1650.4394 1318.4044 3759.7177 2137.8333 1684.7138 1870.4851 1634.9318 1393.9806 1615.2773 1549.9480 926.6438 1692.9971 1621.5481 1823.5968 2285.2860 2564.2158 1365.7883 2319.3790 2158.3224 1924.3461 2236.9878 2014.7590 1524.3931 1062.1180 1755.6961 1527.9461 1593.2511 1250.0098 1478.7384 1642.7524 1356.1368 1528.7782 1878.3357
2-Iodo-N-(6-methyl-1_3-benzothiazol-2-yl)benzamide 26063.3596 24328.8611 27172.2457 26892.8384 26515.7392 26808.0827 26604.5829 26470.3593 26300.9551 25373.5532 26102.4251 25260.5436 24903.7453 24279.6390 26197.4249 25223.0427 26214.2326 24329.5624 23462.8263 24804.4842 24338.0240 25894.6364 26786.1198 26289.0680 26676.9141 24519.3127 25007.5627 25123.7509 24868.2093 24080.6009 24976.8035 25068.5108 25216.7342 25354.5291 25068.8388 24160.9956 23170.0668 23796.0151 24281.1931 22836.4556 23976.8560 23801.3052 23259.7422 24292.4482 24468.0595 25866.2084 24438.3476 25959.0597 25424.6224 25145.9873 25266.1270
2-Methyl-2-(4-nitrophenoxy)propanoic acid 940.0632 1347.0281 181.1127 2075.1568 2195.8445 4972.3593 11731.4199 2095.9042 941.1625 2303.3003 2892.2743 192.3110 2295.4536 162.9395 148.1197 12666.4727 1280.7390 3810.4258 3138.7527 769.2353 1360.7504 380.0675 2642.0471 1027.4271 1699.5912 1282.4807 1743.6407 393.0471 967.3663 2155.1199 2421.4258 172.7015 2617.4627 674.7722 165.1031 1210.2296 3746.3365 1348.5358 2063.7247 1770.3596 1841.2501 1319.9548 2024.5075 220.5622 2315.0117 2482.9311 340.2731 4385.2386 1652.4499 148.1667 273.4103
2-Methylbutyraldehyde 1273.3905 2328.7763 1394.4839 1529.6324 219.2313 1522.7711 936.5717 2773.7765 1322.2724 1185.1500 11301.4319 2926.5539 2288.8361 182.0263 209.7072 2809.9328 1383.5416 1550.6033 2421.7066 1435.1139 1347.0567 1503.9194 1420.3530 2960.3609 2949.4633 1662.7648 275.2759 278.2534 1942.9028 3189.5234 209.2365 212.1675 291.7328 2138.7639 1409.7692 2435.9442 504.3134 194.6953 7232.4660 199.2638 10993.7128 1451.2085 2551.5807 2169.1189 1452.5417 627.1257 272.5594 1342.7276 1725.8208 1199.8531 1275.5804
2-Methylheptanoic acid 118288.0074 482.1516 507.9831 7494.9157 443.1921 416.0935 550.1006 774.9849 309.6743 5412.3591 371.6862 629.8156 411.5734 588.6301 1013.4362 530.2470 524.9600 727.1563 1570.0665 681.8733 830.6763 729.4453 538.9708 669.1321 768.9154 534.9407 928.4095 512.6449 963.5023 438.4711 295.7930 437.9504 26991.5716 733.7467 661.2241 27114.9829 1029.6889 331.9383 8526.7078 9978.0631 1001.0296 321.2690 8803.4468 3807.3797 631.6396 471.0099 271.3244 570.8176 13026.3733 605.8516 1962.5137
2-Methylsuccinic Acid 11140.0171 1283.0210 27037.4266 71391.2529 10008.9227 23979.8269 15334.3579 10863.8343 19010.9281 6679.1676 88889.9000 21881.7511 1400.1629 2406.2038 11283.9058 11896.7594 67124.6459 41050.3518 65719.9822 5607.8287 7623.8097 25770.7271 6443.6373 9442.9813 16559.4301 68276.5395 62463.1133 1499.0836 95835.3990 2789.3747 10036.3775 10217.3168 5207.1750 58978.2991 11330.8246 18142.2696 73147.8031 2785.3484 9773.2001 11754.8152 121188.0014 4311.7841 19662.3675 50758.6254 11185.5867 5879.5100 4840.8795 11765.4178 33316.7614 510.9735 31218.9683
2-(N-Benzylamino)-5-chloro-3-fluoropyridine 228.8830 761.0369 810.5491 1585.0692 700.2540 769.6364 858.7453 224.3428 232.7026 1098.3468 302.7706 702.6505 735.0096 868.1932 824.1776 805.6136 1045.8170 989.4327 197.4716 679.5832 1666.5853 888.8559 768.8857 1343.6851 2461.0336 1170.3658 700.5115 1585.9403 1733.3744 234.2813 1022.9114 803.3729 1022.9780 248.1440 1758.3170 356.3977 1172.8069 723.9555 730.9129 648.5806 234.8587 472.8740 338.2180 1351.4258 847.7905 688.4553 642.7468 884.4079 990.6043 1681.4073 815.0610
2-O-(alpha-D-Mannosyl)-D-glycerate 21461.6185 19652.9647 22535.3416 21111.7269 21181.8894 22585.6124 22695.6411 21037.0567 19061.1133 18920.9561 21789.8929 20116.6842 20574.3630 20121.7451 21815.3434 21430.0081 21467.3047 20659.6019 17935.5324 20930.7740 20416.4365 21407.9062 24868.9457 20925.3065 24159.1370 19427.1116 21398.6163 20284.5688 21225.4764 20127.0158 25527.5593 21774.3556 23649.4347 24130.7943 21057.1158 19388.1987 19983.1061 19341.5935 22046.1622 19340.3849 19391.1607 19775.9591 19761.9796 21827.3790 20269.9398 22981.0296 20168.2459 22673.4837 22168.0818 19996.7339 22583.2532
2-Oxo-10-methylthiodecanoic acid 3273.7299 2395.2489 3254.8854 1862.8068 2626.5224 3868.2985 3680.0957 2965.8390 2686.3409 2455.2817 2277.5891 7346.7594 2639.7824 3414.4642 3317.9133 3293.7088 2476.6742 2598.5283 1799.7088 3883.5543 2393.1010 2756.8312 3363.9652 7103.2348 538.6402 2794.4015 2741.5884 1024.3610 3117.2404 980.2031 12825.7755 415.3249 3129.3559 4431.4748 2632.9455 3031.8420 1672.6404 3066.4149 2801.7031 2356.6516 2891.6656 934.8523 3051.1065 2200.1312 903.2193 3345.1567 992.7421 1398.4449 3139.9718 5480.7795 2763.5088
2-Oxoadipic Acid 212097.6511 193444.1856 220016.3409 202128.1070 203951.3587 216129.6359 217134.5793 216760.0941 191892.3880 186727.6357 204127.4507 210587.8325 198784.2415 194469.2454 215391.6501 204385.3254 204724.4835 202120.7221 191040.1378 206370.5168 218372.0724 223641.6826 230218.0272 201746.4814 220832.5569 200555.4997 210045.7026 195125.8651 204772.9357 201268.4216 220940.3535 211489.4816 215330.6816 230549.4497 203941.5913 205897.1560 203566.4951 206266.6051 222998.1621 197521.0241 196134.6226 194563.0652 207900.4338 210778.0872 202190.5272 213279.1357 202992.7978 214730.8182 207364.9259 199642.5194 214548.2598
2-Oxosuberate 621.7463 1223.3317 297.0762 2565.8947 1441.4665 2140.0958 97.5358 1138.1161 752.9849 870.9859 1726.0567 835.8169 429.5386 3038.0687 1036.5627 865.0779 530.4377 494.7338 2179.4428 207.1447 4946.1345 1058.1222 901.6165 1009.8583 3512.8359 474.7144 1836.6469 3385.7280 728.1169 2300.5292 576.6463 724.1876 4993.7915 734.5934 1136.9751 1359.4867 4412.3245 1489.6444 2166.5629 1589.0744 2738.3937 1103.8174 2034.1022 505.3413 805.1188 659.7373 737.8462 2077.4228 3156.6788 1389.4265 402.4264
2-Oxovaleric Acid 20042.4185 22430.9026 2662.7781 31881.4262 13163.1910 8491.3355 19583.8459 16789.4430 39047.9195 38516.5465 27332.3084 19094.3714 29242.0600 43812.0495 10942.4738 21609.3773 21387.3207 26178.2261 29532.6316 13177.5458 23766.3655 6383.8334 5564.2116 42610.8133 64055.0136 73757.6583 15167.9191 33073.8751 43647.1609 15053.3182 29915.0009 32420.0159 12428.5732 38313.6217 42691.8884 40104.9279 31651.2593 11005.8357 30657.9143 8548.4953 13782.2854 24814.3951 6033.1218 26422.7329 5206.7033 24651.8953 56245.8401 25683.3817 19925.6035 45979.4043 11086.3006
2-Pentylthiazolidine 2800.9092 3961.2033 2382.7951 4623.3961 1064.8694 2791.5298 1966.8811 3936.4800 2669.7444 3404.2288 9579.6581 2722.2960 2118.8868 7326.6596 2633.5280 2838.7865 2019.0410 2121.3200 4456.0542 2027.7925 6382.2512 2494.8133 2269.6626 1453.6375 3086.4023 2682.4212 883.1332 5232.7772 3028.1559 7539.9531 2338.0158 1824.5841 1767.8911 3120.1289 2067.0577 1752.9508 8424.2185 1008.1291 2899.8873 2692.2852 15057.8280 3001.2250 512.0606 895.3461 1968.6089 2718.9826 199.1528 2115.2214 2793.8287 2796.0208 217.4486
2-Phenyl-amino-N6-endo-norbornyladenine 43228.2744 113433.1064 10257.0725 51128.8435 8200.7147 32115.6618 258.4233 13372.5284 1209.0536 104701.4401 60024.8168 45180.4801 1381.9421 596.2560 22247.6259 2880.7370 50019.3393 53175.1995 123932.3522 30101.4535 282060.6620 2059.9059 38177.0339 29854.7812 73721.6266 32665.5837 165947.4846 871.7997 1376.3338 42978.2571 23026.0828 453.7672 39720.7119 41723.8211 109337.6384 105826.4275 85276.5771 4487.6159 97500.1463 114243.7943 124003.2556 260536.8405 145343.4523 111852.4304 8753.3135 2116.3599 574.4816 782.1729 465051.4100 169380.8871 54688.7392
2-Phenylethyl beta-D-glucopyranoside 5701.7762 11061.9543 10527.9035 2887.4428 6991.1766 13384.4583 915.8793 6991.8966 12941.5859 22170.0800 24502.7464 8404.2108 5673.0763 33440.7433 1827.2039 3793.5636 9423.2896 7323.6556 11870.7404 4541.1820 11753.5079 2974.8566 2453.1587 21553.4607 11252.4821 3642.3659 7294.4326 7191.8913 6298.8007 4088.2279 2859.6154 10336.0575 31587.4244 9099.0419 6604.3694 3959.2215 13274.4561 7639.7094 12295.3535 7660.9752 20246.9648 6365.5743 10000.9446 15229.4976 3823.0391 9420.8543 4645.9950 2933.7407 4852.6870 12144.6967 2339.0915
2-Phosphoglycolic Acid 21816.2894 22385.8601 14098.6815 22023.0581 22439.6051 16237.0148 19475.2690 44417.3069 23457.9652 44218.7520 22522.4039 19398.4476 22707.0450 22607.1647 22160.8625 25055.4166 20623.2260 23517.4558 21353.8133 19725.7883 17465.8077 12418.8215 21460.0287 21612.7480 18147.2643 22105.4049 22843.3268 10697.6622 44589.8977 20536.6538 24480.5451 22924.5366 41964.4830 22117.2084 22054.7869 24556.2522 23121.7173 21724.6498 10667.8083 22065.9340 21293.7691 21184.4401 41795.5649 22932.6593 22619.7064 24120.9937 19427.2004 19827.9192 21254.4836 20349.0634 18930.7049
2-Propylglutaric acid 212530.7613 1297348.5350 47926.7195 83409.4828 21292.8021 1607.5940 66381.3421 184589.1902 13746.4895 9815.4367 7566.3286 648.0691 1844.7216 3372.0348 76299.4418 90633.5701 4352.8572 354560.5603 241916.3179 67297.6856 5138.2208 940.5749 69686.1735 867.1920 34797.6867 7749.6062 11726.7179 9677.0761 135611.2252 9851.6218 68711.6863 35135.4183 1978.3348 83781.7350 820.0462 87199.9438 388069.8058 48685.9436 74445.6383 91366.2711 43042.3603 354669.4368 472645.1880 158957.2659 635.5337 20805.3654 4144.4251 100316.9526 62553.1902 4222.5986 59772.2746
2-Pyrimidinecarboxamide_hexahydro-N-hydroxy-1_3-bis[(4-methoxyphenyl)sulfonyl]-5_5-dimethyl- 846.4636 933.2199 901.3244 707.1562 1616.0440 746.5241 741.2915 130.7576 629.4138 954.6825 2718.7753 780.5870 608.9147 1042.7930 728.7932 856.2159 896.4091 637.3646 1826.0340 782.5096 565.4549 798.4035 722.6348 2255.7284 3928.6179 703.5658 710.3229 1828.2209 249.8946 174.0046 844.0682 831.1234 2281.2240 1978.1198 762.7522 712.7647 427.0198 1201.3034 2136.5882 1355.5234 713.7907 1445.1758 119.4558 101.0508 767.9730 805.6554 952.6927 156.2191 244.1068 545.4132 778.9169
(2R)-2-amino-3-sulfinatopropanoate 1316.5275 227.0250 1115.9467 1571.6780 1255.2558 1309.0727 1043.3102 4220.2301 1235.0718 1014.9295 2506.9078 168.7461 1321.4862 1483.4224 1374.0324 1186.0665 380.5762 3513.3205 460.5813 1068.6701 1686.3700 1424.2104 1356.1841 166.9320 196.0111 562.3165 1953.3582 182.0866 1551.5439 189.8433 1200.9245 1275.0833 3566.0318 1470.7052 384.4145 2104.5863 5412.6848 472.4828 1972.5111 1794.8026 5047.3173 874.4048 2091.4601 6211.8468 1196.5145 1085.1781 1058.6756 1073.1558 1970.1413 3343.6631 1028.6501
[(2R_2As_4aR_7aR_7bR)-3-formyl-2a_4a-dihydroxy-6_6_7b-trimethyl-2_5_7_7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate 2453.3049 1982.7213 3599.6847 2351.7449 348.5842 4036.9778 1022.7647 2234.8050 10322.1657 1258.1332 3133.1170 1597.9682 1118.3976 1243.7291 3166.6154 5858.7522 2530.8810 1757.6210 2332.1210 1365.5436 1699.1148 409.8078 3125.1685 1864.3245 3351.5281 2019.7061 573.5987 4366.9368 1744.9049 418.7024 1696.2335 208.5640 1826.1824 15403.2289 1113.2909 196.8958 1103.2098 1281.9907 299.8378 1651.7185 616.7905 1880.7189 964.4007 158.4578 3445.7159 7192.8821 1777.6365 2125.3579 141.5089 2251.6737 156.3025
(2R_3R_4S_4Ar_6aR_6bS_14aR_14bR)-2_3-dihydroxy-4_6a_6b_11_12_14b-hexamethyl-1_2_3_4a_5_6_7_8_14_14a-decahydropicene-4-carboxylic acid 1661.1517 3319.6082 802.9162 3457.0369 1978.5180 443.4324 1987.8416 3749.0184 2060.8144 3688.8351 3164.6773 445.3147 3192.1405 3508.8015 178.4300 106.1137 4139.9294 2190.4952 5164.2778 1471.9972 3253.3189 3314.9001 2457.2420 2949.1997 2840.8713 1219.8108 3138.2417 3873.8599 1409.6340 2904.9744 2146.1243 2728.5225 5396.0755 1748.8136 822.3589 2135.8541 6664.7289 2155.2144 2875.4318 3384.3851 2570.2297 6824.9773 1733.7262 3452.5530 1226.4030 1916.0682 3022.9415 1867.1545 2864.2827 193.3426 4280.1048
[(2R_3R_4S_6S)-3_4-dihydroxy-6-methyl-5-oxooxan-2-yl] [[(2R_3S_4R)-5-(2_4-dioxopyrimidin-1-yl)-3_4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate 3676.3634 4631.2386 414.3063 602.3094 9578.0349 3921.5999 3575.7433 3895.8638 969.8472 3766.5101 3354.7733 4896.6668 1972.1872 4473.9891 678.4967 9402.0646 12790.7453 4306.8935 4555.9557 13715.6655 4157.8062 4085.7277 4518.0141 4422.5465 4419.9899 3363.5258 2977.7261 3918.5129 3952.0827 4077.2216 3735.0932 426.8447 3643.3101 6117.1016 8732.2119 2986.5093 3938.2639 3830.0833 4380.3749 4379.5164 4321.0914 4129.3787 4212.8561 4262.9299 9243.5516 4833.0234 3629.9852 5447.9376 3316.2123 4200.5119 2829.3235
(2R_3R)-6-Chloro-3-(4-hydroxy-3-methoxyphenyl)-5-methoxy-2-methyl-2_3-dihydropyrano[3_2-h][1_4]benzodioxin-9-one 3614.9202 903.7673 1143.4020 135.0260 432.6361 3928.0877 5197.3236 882.2561 126.8897 683.0791 840.4215 765.5151 426.4176 1587.5967 1838.1871 162.7564 1960.3895 731.7640 841.4566 2316.0887 1019.7607 1109.0593 872.9808 1191.7883 143.9552 170.9256 550.3992 1190.5202 3144.2092 308.7577 179.6467 610.9657 167.6580 1013.2351 752.8353 123.5585 930.6292 5098.9071 707.5220 145.0999 1132.5075 414.1451 799.3197 273.6500 588.3520 2880.4604 739.6751 779.4351 168.2079 315.3069 764.2608
[(2R_3S_4R)-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3_4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate 3535.6721 4906.9298 2606.1331 5682.2639 641.4380 145.8184 3153.3121 3221.8522 5729.1398 12364.3128 9492.5221 3259.7163 5839.3076 709.5779 3368.2606 2574.0654 2903.7758 1449.4682 9824.7584 894.4591 8220.9068 3278.6081 2734.4968 18072.0089 7769.3135 2914.6875 6975.9087 2548.2098 3255.7845 3530.2996 4912.6807 3616.3481 6740.2173 5832.3072 1212.5585 7326.5366 3298.3771 6545.3321 16368.6988 11676.8725 7623.1243 12233.9066 8276.3100 7355.4890 1733.2174 4460.9339 4361.8370 3138.0379 5881.6390 6481.0946 2757.4660
[[(2R_3S_4R_5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3_4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate 1415.4258 1229.9903 1506.9558 1617.4806 1607.4066 1539.4943 1645.1762 1530.7274 1492.8714 1354.8087 1425.3485 1330.1985 1461.3042 1572.0160 1473.4271 1349.0625 1290.8938 1355.3713 1239.2093 1282.9432 1318.7944 1319.4766 1439.0847 1558.7778 1280.3934 1237.9858 1402.5207 1370.6711 1509.0265 1451.9200 1833.1076 1495.0084 1425.8020 1482.5462 1264.7537 1422.4048 1217.2047 1351.1405 1314.3722 1278.6490 1309.2144 1457.4331 1510.4675 1494.9379 1556.3959 1592.9981 1381.9812 1560.9680 1772.9081 1201.5335 1406.9011
[(2R_3S_4R_5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate 426.5212 9356.5979 1080.7687 16379.0407 92.8111 3001.9405 3224.2456 809.8661 2043.5759 8556.0322 4516.2264 5571.3580 3525.6140 915.4016 6279.1844 4837.6391 5196.5003 15048.3350 13082.1818 808.3280 4681.9280 7814.3742 3492.1593 3060.9451 19615.3113 4366.4995 1605.1140 8962.8647 5524.8396 3156.8864 2965.1163 3099.8181 3424.8725 4951.0253 3542.8078 3714.4227 14466.7704 2171.8047 5337.7478 6903.3892 25007.3609 10179.5187 1301.2524 12512.6978 3445.9119 3444.2347 105.3328 3085.3969 12348.7306 5076.4237 833.3902
[(2S)-1-oxo-1-phenylpropan-2-yl]azanium 2420.4565 2887.8929 2924.4529 2143.5865 2563.7901 2524.8617 831.5316 427.8121 5160.4299 4010.5901 680.0849 2635.8624 3107.2490 640.4334 2640.6323 808.5530 1724.5657 2954.6311 2897.9766 2076.5253 727.1744 2839.1524 925.8069 2173.8446 2095.4661 5157.0479 4510.8309 1264.8096 1470.6532 1362.4350 1529.1910 1739.3327 2358.7235 1165.3144 3359.2157 4753.5372 1788.4024 2456.5672 2993.0156 3088.4776 684.6511 751.7429 167.3367 745.9300 2414.2991 1585.2570 2429.0357 2584.3817 5259.0668 5116.4219 1982.9061
(2S)-2_3-bis(azaniumyl)propanoate 11315.0714 3193.4706 1351.1056 2691.5205 2052.3555 3281.0980 2786.3423 1538.0345 2110.1782 8194.3776 2607.3890 2388.6364 2928.9005 3762.8976 1840.7089 6694.1693 2199.1599 136.5345 2300.1248 3038.1803 689.5930 5460.3719 3834.8870 2886.9633 5960.2379 5730.0831 845.2290 3733.7377 13512.4742 2916.2974 4214.9491 8750.9452 2408.7484 959.3619 1448.0108 1779.6811 120.4249 2075.1002 1232.8239 926.9137 1778.0918 789.3190 546.8371 2596.2878 1139.2680 1815.0206 4157.9463 2640.1295 2201.3218 415.4370 283.6744
(2S)-2-azaniumyl-4-oxidophosphonoylbutanoate 12369.2233 106.8958 3551.0561 1952.1051 3526.2437 3088.7801 3341.0588 2069.9584 2143.6264 148.3347 167.9331 1687.1734 10961.6440 2744.1217 3749.1870 3704.6452 254.7290 124.9693 1405.5733 1064.8207 1416.9191 2555.4557 771.3791 251.9615 2782.4521 3519.7454 5779.3169 123.8115 236.8474 2889.5538 6548.8032 2703.0071 108.2876 104.5701 5016.2932 2394.9246 459.6571 1975.1811 1221.5253 1557.3414 127.1712 108.4038 128.2156 119.2001 5837.6455 5322.9844 3174.6768 16308.9333 262.0985 1909.7585 3599.1399
(2S)-2-azaniumyl-5-[[(2R)-1-(carboxylatomethylamino)-1-oxo-3-prop-2-enylsulfanylpropan-2-yl]amino]-5-oxopentanoate 3095.2058 4533.4689 9766.7724 5840.6002 2510.8918 3612.9786 572.3413 2700.3939 2542.1789 3163.6197 2810.2583 2171.9853 2080.5163 3465.1370 6442.0303 3594.7964 2906.2244 408.3266 3281.7517 2735.3316 13245.3315 2361.0801 3452.6113 2419.2606 3259.3775 2557.9433 2283.2522 1755.4414 3105.1399 1159.6379 2852.6364 3193.6967 1501.7674 3360.3513 2876.6250 2802.3943 3386.1659 2628.3871 2037.6847 739.8537 6535.9447 500.2634 2688.3280 935.6937 2969.0958 3131.0977 530.3472 2826.7164 645.2843 2577.1475 2484.9971
(2S_3R_4S_5R_6S)-3_4_5-Trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid 5741.7242 5871.1744 6147.4605 32775.3257 2783.3591 14002.7514 4203.9438 2373.2882 377.5270 223.8284 5521.5357 4988.0629 5912.5113 5178.9536 762.3911 747.0449 4120.7224 2190.6724 3087.0874 5634.5488 8362.6330 1040.9787 9471.1495 7007.2151 7342.5834 6329.7298 11600.1024 208.3259 2979.6119 168.7594 166.7518 5884.8620 33488.3905 4419.2393 6597.0899 6115.5507 7138.1112 8863.5653 854.5631 6781.7697 6896.8768 1881.5081 6059.2836 827.6440 5613.8922 4871.4337 13800.0816 6799.7781 464.8173 5896.2700 3855.1164
[(2S_3R_4S_5S_6R)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4S_5R_9S_10R_13S)-5_9-dimethyl-14-methylidene-13-[(2S_3R_4S_5S_6R)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01_10.04_9]hexadecane-5-carboxylate 11285.5844 7321.5796 11978.0965 9006.7199 6110.2076 11936.4556 10157.1467 12036.0420 7422.1790 10102.0211 4748.4098 12237.8335 5445.5477 17454.4840 7252.5165 8387.9475 1775.0885 270.1998 11412.7458 7208.2099 10739.6609 9226.8439 9912.9832 281.9534 15780.1441 14450.4274 7318.7075 15861.8902 16251.5323 12587.9913 8088.1408 10195.3984 608.6969 1200.0233 6132.4972 8911.3113 39769.0248 7246.5975 18945.7819 8336.4809 33147.5200 13434.2643 9556.2755 10498.6812 5485.7975 8898.2861 9081.1179 6458.7577 18551.3159 44884.5564 6531.7257
[(2S_3R_4S_6R)-2-[[(3R_4S_5S_7R_9E_11R_12R)-12-ethyl-3_5_7_11-tetramethyl-2_8-dioxo-1-oxacyclododec-9-en-4-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium 683.8696 506.5799 2098.0775 748.7835 1158.5139 1748.1189 1570.1139 904.4705 1230.6707 492.5935 64.0099 1318.3978 907.5485 759.6573 1167.0446 971.5617 881.0521 378.7403 209.5463 2118.3015 256.7620 863.1083 1885.5034 670.0074 684.9686 640.8969 765.3409 711.9169 904.9242 132.7672 1666.3973 1216.5351 228.7757 819.8249 52.6090 190.3338 470.3571 1176.3074 414.7607 257.1340 464.8532 57.6340 589.0040 623.1692 1415.8650 1163.7214 1377.9998 1967.4899 59.4162 732.8686 1351.8086
[(2S_3R_4S_6R)-2-[[(3R_4S_5S_7R_9E_11S_12R)-12-ethyl-11-hydroxy-3_5_7_11-tetramethyl-2_8-dioxo-1-oxacyclododec-9-en-4-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium 384.4947 1138.8627 751.9789 198.6578 155.7691 345.8481 374.2251 812.1325 437.7464 558.3207 354.0126 357.4681 623.7786 1078.4794 279.3677 94.8513 93.9872 469.3381 1045.1644 295.0788 427.7824 926.0629 330.6506 540.7305 446.8498 455.9849 520.9776 740.7109 248.9862 404.4096 235.0009 215.5128 724.4378 282.1171 127.5110 293.3019 1025.9872 475.5618 712.7844 479.0330 861.0118 835.8251 228.3434 173.7921 267.1194 411.9942 777.7666 253.9428 582.7353 334.4368 267.6344
(2S_4R)-2-azaniumyl-4-hydroxy-5-oxopentanoate 2255.2197 1032.3616 1482.0231 1684.2992 1285.9303 1110.7258 370.5019 2064.9154 2006.6957 2639.2845 3172.1347 2011.5556 2710.7478 4121.6310 1983.1071 317.6617 1779.0544 1494.6320 2858.9551 1257.4675 760.2132 959.8459 988.1887 4788.6490 1511.2556 452.8119 2029.3225 3305.6776 2174.7159 293.9328 700.1342 878.7459 4350.4927 1106.7295 3190.6116 6688.4085 2292.4479 725.2099 2865.4684 2017.5706 5596.9747 5796.1452 2818.0863 4222.4519 507.4999 1717.9499 227.0658 764.9417 3027.1454 4600.4392 1851.6176
(2S)-Liquiritigenin 98252.0468 10412.3056 10075.9860 1158.2667 7180.5946 3136.2748 1253.2609 14074.2205 10233.1832 3357.4979 13338.3270 12500.5513 5624.6497 3446.1045 10164.0426 33901.3278 2498.3886 1453.3383 10411.9007 6776.8765 3458.0191 2766.3238 9260.8961 9300.7178 634.4004 12190.4458 8923.5817 12220.8102 884.2372 28711.4817 1199.9001 6741.5386 9742.3421 10417.5962 6946.9081 5169.6686 4339.0852 12469.2361 5572.0110 5367.5667 8597.7947 8405.6168 7502.2974 1676.3067 5969.0923 10684.8954 13332.9381 12625.8482 7365.3872 8363.6919 2148.7693
2-tert-Butyl-4-hydroxyanisole 18728.6316 198.3001 512.3687 699.6399 272.7349 11473.4848 2060.8684 48.4629 4482.5749 1878.7926 551.0123 889.6393 1391.5403 840.9911 288.2462 22461.6179 2869.0248 2644.9701 1243.3334 726.9852 1046.5713 6660.9099 18410.3486 46.1875 12165.9315 4004.1093 704.4656 1841.8200 5232.4490 274.5727 5567.8657 158.8163 267.8491 3379.1205 1634.5950 812.1489 763.1549 338.1054 469.1685 177.9761 498.8136 1030.1386 844.3915 181.9294 725.0938 6480.4029 2421.6733 8880.6032 500.0879 287.8526 7185.0729
2-(trimethylazaniumyl)ethyl phosphate 2374.5324 1302.7427 1851.8660 2064.4690 2983.0699 1620.8246 1855.0030 1185.5061 4549.1659 982.5532 405.9183 1092.1699 1323.9072 6953.6779 1541.9500 2024.3194 454.3714 126.6064 2591.3365 2391.1931 2501.3472 1548.8359 1137.2650 1903.6343 411.0576 641.0703 1271.3398 799.2972 3964.4907 2298.7772 4833.3036 1731.5935 1153.9786 2169.3750 1396.3103 1044.6890 3725.7083 4711.7252 440.5240 326.8126 1867.0508 1469.9961 132.9159 1191.1509 2222.9787 4514.8679 4021.0337 268.7174 1221.4404 745.9904 1806.4132
(2Z)-2-Cyano-4-(beta-D-glucopyranosyloxy)but-2-en-1-yl 4-hydroxy-3-methoxybenzoate 703.0728 1568.2823 409.1604 1405.6415 84.1417 429.3803 156.5848 459.9996 462.6932 1171.5460 379.6819 182.4411 1364.8194 885.3581 456.6255 1272.4974 78.3490 211.6937 305.6221 417.0917 816.7093 1175.9174 424.4045 458.7174 218.2438 366.4748 282.2308 456.9776 1091.5817 1169.0697 222.2399 378.6040 509.5970 94.2359 140.8563 390.6714 459.0543 265.0995 471.4732 338.5387 298.5078 73.4629 657.9343 504.6118 619.5062 1072.9763 534.0123 485.9623 398.6834 358.3592 285.3078
3_16-DIDEOXYMEXICANOLIDE-3-DIOL 1896722.6020 6051.2601 4872563.5840 440771.6818 186240.3933 383322.0597 2174.6442 743862.4713 141978.3486 974.7678 683157.9820 1812.7369 42434.6140 5028120.8960 842154.3774 846656.7262 5395.7686 466781.1277 1275206.3080 11730.4756 113.7197 20490.8060 21492.3482 80406.8790 297.7569 1757729.9480 1352.6224 7185839.9350 2952330.0160 13224.8401 38842.4574 5729.6222 788.0579 1012.9076 4636314.0730 39124.7413 1241238.5980 149148.8120 882561.3613 898505.7879 50292.0185 995.1090 596845.7010 399464.6866 12054.2089 8841018.7980 8389365.2480 63335.0226 154.0725 879815.4700 91754.7518
3_17-Androstanediol glucuronide 2675.8817 2550.8182 3135.7831 2791.0018 403.6315 568.7422 1885.2289 2620.9294 6055.4210 3250.7257 1130.9415 2329.9435 2506.3343 2140.0908 1520.2752 2253.8279 2693.5273 2784.3763 266.5659 8732.1248 369.2428 5900.5500 2079.0436 2541.3240 7872.6736 2892.3121 2632.7779 1908.7853 2572.7999 2426.8526 1269.1718 2621.1846 639.9578 1010.4863 2445.3966 1818.3293 315.6794 2717.4422 2231.1711 4498.6573 1911.3261 5005.6358 2583.3680 2828.6099 2218.5194 2464.0855 1507.5641 259.9644 2148.1833 2302.4139 259.6154
3-(2_5-dimethoxyphenyl)propanoic acid 4758.5676 7345.9815 4966.8131 8508.8103 11973.3689 1207.9454 2332.4192 4200.3960 578.4183 8610.8510 5625.3951 8565.3986 150.0469 13123.5933 2481.3392 4520.4682 10124.4227 8943.7452 9344.4719 114.9621 1866.2095 12056.7931 1223.5667 6229.7879 4841.4189 2005.5119 4909.8023 5288.1166 3798.7730 5409.6351 3936.8640 5035.7302 1805.2792 5519.8496 8769.1095 5472.2138 7409.7410 4979.3010 3256.3022 2674.6843 3480.3047 4979.3765 4078.4438 5737.5481 9708.1258 5065.0084 1378.9902 620.7471 4978.4538 6880.4438 6075.3201
3-(2_5-Dimethoxyphenyl)propanoic acid 7775.4872 5489.8598 1200.2923 606.0658 3514.0100 4861.4029 7177.0196 741.9127 1196.5009 568.1639 1393.4596 3259.2130 1243.1015 508.2152 6018.8317 2818.8574 1368.3120 890.4614 1150.1865 2462.3284 2139.1458 1171.1096 674.3990 1425.6484 1697.8213 348.5527 758.4353 962.1907 620.9188 868.7782 900.9058 2033.2266 527.0665 849.0064 556.2047 1148.1204 1065.3767 805.6032 952.7886 1566.7275 1352.5673 162.3296 614.8164 1089.4918 4270.1402 1503.5203 571.4294 7677.7199 1925.9446 2516.8072 3203.7616
[3-(2-hydroxyethyl)-1H-indol-5-yl] sulfate 1322.6126 313.7622 1140.1485 1137.8739 1071.9033 1162.8301 1303.9347 904.5803 3915.3486 1027.8471 2263.2986 1401.6383 308.4314 2233.4295 2253.4233 1126.0093 1746.5624 311.4760 1084.7628 235.9063 723.5891 1851.0480 1491.0820 291.1500 1071.5750 528.8720 2213.5644 1025.8661 1620.1481 1357.7481 1761.0862 306.3007 1216.6167 1086.5053 253.9728 894.8086 1164.0238 939.2456 231.8708 912.5714 1145.5087 832.1204 1102.8332 871.6741 2841.8533 1233.9486 4281.7625 1416.7276 958.5639 1051.4270 1027.5662
3-(3_3_3-Trifluoropropylsulfanyl)propanoic acid 2754.2936 1210.3128 830.5059 1286.3465 1443.6583 2563.1890 251.8341 3152.4496 1464.3132 1257.6477 2182.9242 669.8870 1204.6807 2097.2669 1344.9285 1273.6603 304.2368 1599.3874 1649.1950 1252.9037 1349.8395 1362.3465 1276.3645 1650.2577 1382.2337 3905.0338 771.1387 2236.9111 2801.6966 1272.6101 1221.0908 1395.6570 1940.8950 1468.1501 551.0400 872.7892 1866.8219 1315.4630 194.9878 214.5872 2905.0669 1435.5012 228.5526 652.6857 1117.2262 1557.5128 1157.3712 1090.0046 1203.1478 2316.4357 2332.3143
3_3-Dimethylglutaric acid 160.9908 19580.3778 6911.5851 46434.1807 11582.2362 10931.6835 10089.2485 61558.1022 20784.0630 35962.5578 31233.4743 10372.9706 3994.6471 61.5514 16297.5480 1685.4560 27915.0754 18526.8569 37753.6680 209.9686 5802.6291 1876.0970 15623.6389 10299.1688 11287.5409 13929.1116 71526.0435 8416.4571 13442.2263 129036.7789 9142.2304 20371.8450 38722.7392 19647.1495 5441.2162 33837.5451 17356.9395 14868.1259 91025.0250 149704.4866 148795.3380 14408.4183 68148.7618 21350.9107 47141.4557 22660.7016 4381.1210 4542.4747 64984.6736 14542.0157 22482.8029
3-(3-Hydroxyphenyl)Propionate Acid 312302.8039 4034.7844 154358.5798 1502.1523 188994.9559 775413.7785 233760.7591 1195.7220 216424.6489 2529.2526 4620.5255 447658.7470 283620.0593 5447.5470 198827.8661 158.2656 3554.3258 3910.9022 3192.2340 503520.1617 1329.2017 2294.2431 3021.7653 1714.7987 379223.2773 1075.4742 2986.1635 3027.0902 190959.2142 47475.8458 494456.4296 24398.8377 1694.5209 277397.7245 267553.5058 2871.8376 2293.9069 3019.1988 2258.1055 1770.7596 1796.4154 700.3926 1282.5817 1511.1876 81132.3214 302623.9808 377861.5938 373292.0057 23784.6824 7458.6575 378876.5387
3-(4-Bromophenyl)-7-hydroxy-4H-chromen-4-one 6381.4127 7308.0226 7356.0650 8013.6101 7605.2593 7776.4852 7087.4014 7897.7235 7110.4786 7601.7017 7474.9240 6472.4807 7211.1405 7070.7626 7390.2867 7660.2127 6603.6580 6493.7051 7112.2193 6395.2605 6958.5483 7424.8473 7589.8853 7535.9037 7247.6678 6548.6283 7275.5529 7521.4935 7174.0438 8021.0640 8030.7944 7511.9650 7804.7642 7605.6135 7115.1095 7562.0471 7693.0078 8152.4204 7477.2874 7774.2682 7624.6484 7844.5719 7716.7020 8317.7451 7570.5097 7896.1433 7362.1922 7479.8165 8072.1241 7652.8224 7707.4359
3_4-Dichloro-N-(4-methylbenzyl)benzamide 1052.7051 209.0050 715.1052 298.6510 693.9531 489.8296 770.2659 1710.2410 296.3007 498.7815 556.7577 743.0686 853.1801 693.3547 1664.1600 805.8830 724.1748 293.0341 525.9361 1109.0138 245.0511 415.6700 916.8623 1293.8275 1657.7246 1543.2787 272.4983 827.9177 1539.2380 511.4628 811.3442 1054.2346 682.7819 420.5531 1742.9758 512.6681 517.4516 231.2569 249.7239 780.6564 535.9432 222.8269 781.1082 1256.7014 530.1282 1061.1640 795.5848 947.2828 570.5137 1094.0659 495.9761
3_4-Dimethyl-5-pentyl-2-furanundecanoic acid 2640.2181 7126.9579 8263.4838 6040.5870 3702.0240 3298.8317 5853.1694 6389.8947 27666.7534 7486.6779 7354.0531 5460.6979 4645.7471 11946.3535 6122.5963 4874.1028 4788.7475 157.6690 6630.4636 978.5478 6722.1506 9717.8232 5911.9105 14911.4589 711.3013 14672.5413 122.6683 6380.1387 19735.0140 8815.0674 1431.2666 428.9449 390.1965 357.6544 7258.3308 1134.1308 7789.5498 15206.1162 6825.6012 3955.3121 7041.6790 2652.5903 6195.8479 4878.9238 4961.1437 8188.5908 28080.4067 8326.1373 5994.1932 6386.3684 4957.0388
3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid 946.9115 745.0162 329.9882 1030.2859 1111.5853 517.6925 711.2482 967.9522 1281.2079 808.8554 928.8216 531.4997 1092.1238 852.7220 836.8255 654.4477 966.4245 715.7181 1031.5012 845.8253 951.7777 837.9203 1082.3588 1089.2830 961.3977 945.1472 366.4851 744.7424 934.9557 153.7394 711.0530 797.5608 2801.7278 1186.7661 1087.7935 936.1655 1523.1053 474.3139 622.4303 640.0471 750.3823 552.0999 1018.3916 1046.7886 1317.9662 3616.4626 1008.9831 641.7556 780.9256 743.7392 683.7546
3-(4-hydroxyphenyl)acrylaldehyde 37778.7586 435346.3604 43662.1084 4127.4423 59870.8269 14043.6201 206.5464 228.2879 67924.8206 75177.5138 71272.9830 2302.9016 8710.6778 1562.0721 58934.8473 48715.2578 49161.0105 80756.9935 95347.2726 66748.2883 74495.9912 73046.0655 39270.7792 294.1082 66186.0240 41780.5166 607708.3417 47615.0915 4589.6340 72593.3618 1796.2605 1222.0016 2060.8213 5940.3576 65363.8701 113082.3491 907.4558 69627.2926 96515.3796 208.1250 66567.9488 9120.6925 58742.6496 11463.1378 54328.3051 36872.3482 1360.3307 12090.5154 97794.8634 872.3957 49093.2915
3-(4-Hydroxyphenyl)-Propionic Acid 11500.4543 123.4056 5234.6730 55.3548 742.5053 34852.0648 6704.4585 50.6931 20313.8642 187.0656 128.4648 14197.7164 16555.3280 187.9573 16750.8835 8100.1517 338.2570 291.7444 296.5461 90358.0027 117.7065 259.5515 32140.9964 152.8420 19227.0143 89.3472 105.3952 100.9447 8539.5527 3844.8000 5359.5571 124.8752 100.1528 54763.8486 652.7291 189.4210 130.7580 88.7462 58.0308 95.6017 188.0768 148.3842 102.1930 174.4449 618.5890 43404.6808 19712.2982 60507.1409 430.2846 331.8049 1612.4546
3-{[4-(Trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one 388.5722 1417.2391 1244.7778 1010.7314 1116.7473 1382.8443 1120.8853 3940.4728 1329.4781 1406.0854 367.9923 1109.8164 1120.4853 1327.7633 1215.9126 1069.2344 1115.9696 1063.3298 2447.7677 1200.1456 1653.5608 1270.9187 1459.0727 1608.6140 1431.5509 3012.8842 1198.9546 1236.1642 3336.6356 270.6431 1307.0552 354.3146 1769.6668 1068.8913 930.4353 708.2942 1982.8626 1479.1201 2846.9403 1234.5721 5816.2438 1635.1476 328.4209 697.7700 1066.1249 1280.2449 1004.1520 1317.3943 1612.1629 1934.2906 1030.9495
3-[5-(4-Pyridinyl)-4H-1_2_4-triazol-3-yl]pyridine 3196.9104 14907.5076 2864.3951 3834.4300 240.5443 3358.0885 2957.1407 6473.1266 3134.0353 1588.6543 1353.2400 2703.8757 14714.5078 1536.0361 131.7382 4449.0335 6202.7192 732.4623 1420.8948 3052.9913 268.9769 138.2252 2894.7133 3150.0735 1961.3545 2768.0295 2319.1683 733.0992 558.7413 10596.6396 175.1997 2979.2819 472.8927 3009.6738 8517.4245 3625.3581 535.6339 3235.5863 3978.4293 2054.9442 3755.5398 3772.4963 1084.2327 674.9484 1864.9017 3010.5400 153.2917 2923.4223 1658.8460 126.8493 995.3932
3_5_7-Trihydroxy-2-(4-Hydroxyphenyl)-1lambda-Chromen-1-Ylium 2092.6898 1767.5486 2680.1340 2661.7492 2156.7641 2495.3454 2368.9696 1714.7710 1889.6496 1604.1893 2190.5214 1753.1379 1847.3156 1954.1645 2188.9767 2062.2382 2167.3062 2072.9315 1549.1184 2073.6111 2074.4201 2084.9619 2930.1378 2080.7917 2410.6155 2457.5700 2197.8868 1923.0497 2178.5739 1013.2853 2882.9043 1590.5306 2898.3061 2937.9312 2100.5311 2366.4496 2622.3887 1816.1714 3012.0770 1926.2432 1978.1448 1982.3300 2124.3942 2220.6422 2219.5228 2486.6380 1733.8496 2688.3421 2378.4412 2346.3406 2673.4238
3_5-Dibromo-4-hydroxyphenylpyruvate 8948.2538 6519.2477 6083.7905 6482.8410 6391.4364 7165.9389 7054.5005 4417.0989 4001.2188 7494.8052 5581.6119 6794.2300 6301.8529 5847.6436 6217.7162 6069.3710 6164.2991 8210.0310 6863.0059 7278.5026 6630.1580 8546.1404 7402.6571 5708.6445 10119.2602 5560.7257 3640.8317 10860.6236 7963.6945 5685.4856 4781.3250 5352.3139 8058.7569 7512.1442 6129.2158 5449.4656 6046.7064 5858.9870 5258.8693 6255.0891 6397.7427 7837.8455 6553.9168 5870.4309 6466.5219 5609.8233 5110.0567 5771.2297 10662.2717 6864.4869 6350.4141
3-[(5E)-5-{[5-(4-Chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1_3-thiazolidin-3-yl]propanoic acid 2156.1708 1748.8412 1840.4533 1540.4748 2167.6091 1187.8794 521.6971 3527.1404 1202.6867 214.1782 1521.2188 1750.8102 1994.6145 1723.7233 894.8670 1864.6535 2843.0945 3072.8997 1425.7878 2226.5206 1266.8522 1651.3549 2111.7990 1173.4448 4058.3436 1293.9225 350.6312 910.7217 1926.2468 1354.4310 2269.4020 3012.8348 1339.6523 5895.5743 2177.9859 291.9146 1339.9480 459.0145 1444.8882 2457.9930 514.5530 1537.5358 943.0820 2165.2730 1981.1249 2908.3582 1796.5588 1914.7742 2261.0705 2382.6348 1816.5633
3_7-Dihydroxy-12-oxocholanoic acid 877.3352 149.0097 1619.1781 891.2839 142.8773 6212.5730 1603.2155 338.2361 18399.3595 689.2890 566.8036 2687.9768 749.2041 1174.1124 4157.7056 3416.0369 2222.8668 1693.5166 405.3526 1654.9953 3872.5965 3719.7045 1347.3832 4613.5916 3514.9199 606.4337 947.7134 376.8274 28528.2414 1878.8535 28548.4105 74.2345 969.1755 423.8240 3187.9908 2390.1208 135.1273 3354.6507 2704.1092 723.8509 2157.8694 280.3357 232.2774 682.1103 3095.3393 535.7882 29610.8864 18171.5897 432.0623 2471.0453 642.8048
3alpha_12alpha-Dihydroxy-5beta-chol-6-enoate 21841.9670 15493.6346 6306.1536 3253.4860 19630.1163 1407.6734 423.3866 15740.3438 9776.6131 14192.5575 58899.1492 554.4760 14408.2159 18694.8216 1021.4223 1372.1013 6263.2853 13209.2926 42272.7975 8279.4551 15526.9645 13686.5768 3332.8895 23621.3625 52084.6977 5803.0745 9493.0729 45346.8556 4877.2694 7494.7160 10578.3808 6567.1941 38300.2767 12759.2612 6216.7053 8841.5409 23103.4169 24905.2235 42601.7264 30090.0388 24122.4465 26736.6460 4869.4586 13079.2841 1470.2472 6361.2033 29026.7027 7993.1554 6315.1824 3128.8833 4247.6719
3alpha_7alpha_12alpha-Trihydroxy-5beta-cholestanoate 3464.7898 6393.0894 418.8584 554.5970 123.4165 304.1893 2071.4090 6819.4779 3751.4719 2938.7176 2409.3303 1575.1074 1166.7961 7538.8927 1537.1785 2308.3016 1373.5760 559.4811 3611.6171 1294.5373 1806.4237 654.1638 1280.2823 2681.0765 1991.1522 933.8039 1410.5684 3047.0637 5615.1614 1632.9028 2250.0686 1800.6965 236.6405 142.1036 1626.6343 1055.9712 5401.6027 1920.6488 2421.1122 2010.6124 1216.5443 4769.8771 2137.7942 1276.7913 1907.0722 694.6274 14468.7274 1053.1517 1836.0998 2048.9514 174.2037
3alpha_7alpha-Dihydroxy-12-oxo-5beta-cholanate 714.6958 131.0671 3993.1932 5390.1158 9922.5165 11360.3451 4017.6891 10010.6556 36250.4874 7298.9499 12459.7511 9978.6411 5497.9327 208.9245 10082.3342 11909.4878 5441.5276 5822.9347 666.6493 6786.9565 597.5007 931.5238 19530.0504 211.6258 10927.6779 4037.8400 9251.6994 153.2278 80672.3691 9950.6482 102969.2984 120.4148 10109.6760 1063.2525 1276.1950 234.0635 4583.7047 4632.6870 140.5880 5093.7096 10586.4657 5688.8502 8670.0192 555.9241 13393.4554 6768.7272 64401.3957 27183.6325 147.7176 6954.0068 6650.8652
3-Amino-2_3-dihydrobenzoic acid 556.8880 3412.3466 9353.2538 2102.8879 1294.4659 956.0587 4207.3722 2453.7108 3415.5000 3546.7977 2912.7408 6740.4591 1080.2053 3026.1200 763.7071 1948.2265 2061.7275 1032.1257 4799.0506 1476.2741 7354.4781 1230.4139 1324.6180 4713.4344 2467.6432 2947.0380 1826.5681 2222.7784 1942.0732 4061.2604 6258.5796 2335.9666 3011.3284 1909.0697 2574.3357 3432.1510 4655.5145 2363.0652 7320.3340 4081.1645 5537.0897 10164.6986 4898.9517 3394.9769 855.9209 4532.4151 2164.4947 1100.5846 10335.1693 7233.9656 1979.5799
3-Amino-5-hydroxybenzoic acid 72.0715 1352.3180 1461.0711 3330.2404 468.6907 654.3686 1020.6033 80.3303 1624.6853 82.6555 636.8280 2354.1247 184.9657 89.5514 128.9920 602.4689 3382.3256 1144.6636 3281.8986 2175.8615 5969.2033 2101.0149 661.6356 776.4314 3172.9391 2328.5089 1153.4640 855.8277 1747.7802 435.9328 241.0569 266.7789 1998.8354 8357.2424 516.3244 1463.6353 667.9931 1846.9453 80.9648 6296.8803 28872.0699 182.1145 5806.0896 13616.7178 1238.7171 3095.6648 676.1256 726.8595 2008.2837 1437.1045 2089.1700
3b-Hydroxy-5-cholenoic acid 10256.5860 15460.9402 1889.9439 1513.1529 37157.6447 431.6562 7906.1784 22133.3348 7196.1289 12181.4883 47741.8777 1082.6187 12313.1437 9481.2702 3317.4819 12114.1281 10293.0383 24567.3420 34273.4719 10019.8598 18555.8471 8457.1932 7113.8675 52723.8961 66071.8394 6809.9132 8204.8071 41009.5304 1892.4262 6739.0224 1389.7705 11076.2482 43447.5629 50068.8578 20881.2307 16185.8755 24747.3548 34973.7986 47104.8318 23696.5505 27711.7537 27257.6326 12356.2468 19285.4555 4835.2774 4524.3899 10419.2825 3490.4668 17156.0145 37087.3892 2693.6935
3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid 4143.2024 3995.5428 7763.4198 2844.8370 2162.3533 3375.2648 2322.8251 5047.2246 4729.8978 7663.0980 15950.0943 5453.9853 5287.5485 5676.8062 3606.5207 4930.4662 5058.4950 12428.6006 21944.4553 4535.7368 4176.4261 3336.0383 1524.9564 9009.2963 11735.8457 3561.5858 4575.7891 4710.8412 1824.0861 5002.1136 820.1874 2165.0601 11599.3149 2623.0085 4707.2567 1956.0120 7534.9050 3135.5508 5334.2434 5941.4743 8659.5593 2336.3593 3960.8267 8201.3590 1499.9676 2368.8620 7464.1049 2984.4506 1291.6423 7421.8961 574.8437
3-Chloro-2-hydroxy-5-phenylbenzoic acid 1294.8939 797.5628 1746.2899 1634.3132 340.1338 1956.6230 1646.0467 1755.7213 1097.9054 147.1901 858.6464 2064.8417 646.5083 766.6928 1778.5129 1478.7446 1333.9176 1380.9445 1485.0294 1053.9572 1789.6901 1950.5537 19402.4351 835.7199 1125.3131 2418.9970 1456.7405 178.2604 947.0852 759.6991 160.4104 941.9466 163.6769 452.9488 853.5417 137.4242 138.4671 1242.4021 1260.8287 1444.2708 1039.5844 1155.6429 3400.0733 116.0578 160.7155 167.6943 1134.6082 764.7242 650.6140 1801.7285 145.5916
3-Decanone 140222.1675 202718.0610 142147.0832 211174.2411 193341.9636 192233.9979 191686.5978 149268.3442 58174.1917 190359.5569 179094.7461 156547.1177 57496.1919 32166.3678 71999.2039 151732.5780 212668.2071 150312.9708 50278.5538 198289.2536 64578.6565 212407.8905 70863.1875 131061.0600 202940.2689 141439.0812 55670.5929 50058.0158 143142.5685 123619.4696 161111.8303 98678.6381 76797.5142 194407.3870 64806.9201 89060.1110 147169.5602 125657.1661 170175.2538 139901.4937 46667.1940 54282.4813 193952.3853 81522.5964 221790.1607 189873.4837 146891.3023 68127.4694 192169.9835 72359.2900 206558.9537
(3-Ethyl-2-imino-2_3-dihydro-1H-benzimidazol-1-yl)acetic acid 629.6457 486.2305 6201.4525 4545.3239 394.7776 14124.8492 73693.0309 2833.8192 72.0076 24184.6796 2648.8016 86.0277 6608.3349 468.0847 20028.9971 99.1046 11265.6031 10308.4020 419.7955 11881.9645 71.5182 1530.4927 680.1429 843.1591 5319.2703 414.2261 4468.0321 115.1597 1072.8446 78.9653 265.6201 3254.2850 1563.1721 841.7285 1233.9302 1214.9448 1577.5626 172.2180 281.5464 365.5544 4678.6932 498.0852 609.7639 1732.2524 15584.7130 1948.2756 679.3237 10616.5185 4608.4712 192.2737 5403.8437
3-Ethylphenol 68138.3059 1267.6585 37371.4636 394.2829 45300.1846 223141.0361 58079.4296 159.5996 51875.4026 594.7901 1172.1798 119141.8769 67960.9825 1730.9638 46313.5419 40566.8846 820.8830 1176.3279 853.3237 128004.6923 359.1986 729.9847 863.5530 383.9838 95250.8188 263.6991 856.6344 976.7974 46321.2111 13016.5275 132421.5777 6394.3765 416.6406 68474.8510 65253.6405 838.1688 723.9159 861.2261 154.6127 57.0924 65.0093 45.2758 25647.4183 260.6429 18334.0281 75737.8000 98618.7389 93571.6138 6584.0189 2241.0963 97220.8644
3-hydroxy-2-(hydroxymethyl)-2-[(sulfooxy)methyl]propanoic acid 102.3642 1196.8023 332.8234 1548.6645 1115.1684 92.8150 86.6446 5633.5065 546.9185 2025.8637 3473.8616 916.5033 408.8946 2350.6043 524.7920 1438.5164 2881.5450 4657.9835 1790.1647 205.5027 2522.7132 588.1554 867.3845 1883.6491 1591.9580 1762.5468 3428.4473 937.6565 1047.3747 859.6641 1113.6947 447.9964 3023.2531 3132.2771 1491.8080 4150.8797 3435.8642 1883.8240 2363.7242 366.6639 5413.4200 1918.5405 550.5242 6308.5397 1420.3330 568.4480 633.5409 89.0684 2515.7244 4289.2036 867.7024
3-Hydroxy-5Z-octenyl acetate 21081.2105 23668.6931 25152.0684 23964.9344 21763.0338 23245.4192 23192.5088 25163.6022 47318.7014 21082.2385 18994.1998 23471.5285 19178.0530 15469.9422 28292.7362 26455.2678 26869.0639 20966.4969 20689.5839 26543.6778 20783.1157 26661.0576 29971.9007 23210.7829 24760.5402 19594.9159 21107.1454 19050.0939 19737.6685 20193.0362 20375.8274 24153.5914 19680.8082 25970.9747 24230.2481 21052.1012 20666.7990 21511.2258 18802.3366 22138.6943 16334.9178 17235.1626 18566.3205 23487.1213 25712.1570 24459.7815 17908.2328 23481.6146 20408.6332 23432.4393 21917.1923
3-Hydroxycapric acid 54145.7429 128374.2909 174633.0759 69317.3775 125017.8403 199327.7586 158190.0060 138112.6928 66675.9184 174419.0323 126035.1596 128499.0912 131525.6430 79604.0857 145355.7278 132817.2290 145026.4687 134008.7650 117019.9773 66223.8424 42047.4633 52916.3821 142532.6306 52699.2385 138204.9290 45816.9439 48061.4463 103092.8584 57392.5001 145616.7759 106643.3183 154794.2615 116456.4353 64038.7899 138352.9427 50544.6662 46029.1663 161552.3500 112562.6609 45243.0402 101075.8374 103533.1138 43566.4633 134928.0514 219387.4964 152509.9587 121467.3465 86700.1386 127259.5527 174787.7672 143463.6930
3-Hydroxyisobutyric Acid 205783.0348 44502.7134 36398.6675 4183.7373 39736.7449 42683.2515 30209.2685 29003.1720 21017.0655 242.3182 3086.6134 12137.2081 105720.1677 113.4230 31229.6425 38750.7263 42069.5810 13005.2397 12303.4277 10567.4431 682.4410 33366.0838 5223.9810 24930.3560 34316.6051 29125.5456 104783.7165 24941.9997 2397.8517 1844.8419 74203.3473 169.2582 1299.8646 45875.5951 90408.0946 40268.9474 6676.0837 2392.4823 8768.2283 7320.2739 7198.0113 8465.8381 7810.2663 4351.9960 66518.3254 43955.7261 22880.2611 162444.1757 3713.8205 3887.7970 29025.9315
3-Hydroxymyristic acid 16813.1793 13752.5469 15284.0296 20079.7496 15510.1524 24302.7544 21075.7300 14083.6850 16954.1844 19180.4857 16358.1690 24075.5583 14242.2930 14161.1320 19010.4195 21449.9014 14081.8716 16183.9573 12295.1448 18308.0150 19974.5155 16581.6534 22672.0856 28758.8759 14778.0363 15480.5645 12967.5887 12084.7537 16250.8586 18268.0786 15334.0805 16496.7632 15173.7452 15130.0461 16945.5769 15609.9932 14812.5337 14478.0526 15352.5267 15069.5802 14352.5493 14281.6608 16463.8085 15495.7110 21357.5390 16636.9668 14462.6688 18224.4359 15658.7876 20446.8053 15902.1001
(3-Iodopyridin-4-yl)carbamic acid_1_1-dimethylethyl ester 33851.8112 5072.0641 3233.6973 4163.2734 3556.0217 11303.7564 2271.0880 47786.6813 1606.4271 2641.4624 1423.6770 12208.2679 2473.4957 9926.8142 1348.7129 4098.5096 1189.6696 2241.7279 3484.8078 4594.1290 3198.0725 4152.5134 7979.1550 3538.5785 708.7307 6593.0576 303.8635 809.2205 11328.1738 3469.3500 6966.0651 7640.1853 1967.5545 5565.5579 2810.0316 2008.3891 2780.0139 3915.5682 2498.3593 258.1424 5291.8682 4760.3583 3585.3562 1382.7280 302.0968 6458.7523 2436.0521 1207.3480 775.8667 4868.9986 505.4689
[3-Me-His2] TRH 4697.5747 1087.3532 4142.8199 272.2838 3636.0539 2567.0890 1051.5854 26069.6378 1310.4833 72.6596 15214.3053 55323.6328 2181.3456 622.5497 805.1747 118899.7693 791.4274 1239.4274 39.4648 20198.3962 6553.3150 2612.9748 478.6144 1407.7912 1511.6090 2639.1341 4577.1941 14746.3988 5515.9396 10400.2414 13352.8344 5766.1080 11268.1674 842.0042 1915.9481 672.5267 295.3566 2638.4505 1128.1233 458.3242 1130.4941 64.9470 8072.7598 882.2971 1746.4169 9958.4061 9336.3511 4488.3702 272.1007 3883.7117 891.5807
3-Mercapto-1-hexanol 13901.8106 7177.5980 9777.7133 4506.9376 627.1548 13240.3471 17204.7810 2013.1773 8227.0473 582.5487 1376.9146 134.3781 13306.3436 15566.8159 7148.1285 10881.5429 5583.0889 10999.4916 9250.0700 12031.5108 9164.7503 3585.3999 17242.6564 7782.1247 4405.6550 280.4460 7241.0230 980.3911 809.5631 19541.8556 2208.0946 5533.5556 143.2819 3188.4063 14449.7125 3923.3107 4793.3092 1743.0031 799.9876 3050.8628 6662.7834 5564.6665 6926.2200 1809.9413 667.2575 1107.0704 146462.3225 21017.8467 1545.3585 6853.0408 16783.9159
3-Methyl-2-oxopentanoic Acid 26674.1914 16740.3334 789.3957 194.5190 5129.8566 6412.5120 199.7362 6265.4511 2258.9225 4571.5645 5441.6179 416.6573 404.5438 5247.7536 5173.0486 710.5032 6741.2589 5942.5935 188.4996 173.1495 4122.9348 5003.9198 3979.7637 234.1293 6528.3038 4815.2422 21453.3321 5281.9834 206.3203 4912.1148 390.5923 189.9421 5560.7055 17792.6288 14095.1965 14874.3201 4755.9675 4461.8521 162.4931 160.1908 5045.8237 717.5283 6328.1942 1287.2364 4452.9621 4808.9673 5149.9411 5331.2945 178.4446 181.6410 5261.3067
3-Methyladipic acid 1601.2333 5731.1674 763.7025 3540.8613 4643.2687 2174.2369 1166.3280 8307.8293 4153.9256 4176.3046 6594.0134 4825.5708 2810.5404 6008.2390 2117.0769 3647.5338 5048.2439 851.1787 66280.4762 4905.6956 112796.3046 3470.9989 144.0772 4879.5094 4793.8772 2532.7468 4957.6860 5430.8336 3684.4336 7251.1258 3314.6745 2876.6139 4619.1227 7033.8566 2933.9817 5625.3124 5368.9798 2512.9596 45799.0685 76496.6401 108687.0246 5960.3511 7045.7910 4063.4255 2853.5974 5403.5844 3085.7386 2216.5544 19757.9460 11342.3442 3415.8138
3-Methylbenzaldehyde 42566.9916 170.9714 22818.2339 10438.1123 30196.3835 116434.9490 32484.8357 83.0277 30284.8084 591.4037 3130.1912 69634.5444 38648.1975 1738.5329 28579.4128 26069.4888 437.4832 401.8178 380.8783 70383.8846 737.0993 1048.4163 94.0811 13967.8268 54060.6106 18468.2207 293.6227 1218.9267 26684.4241 8461.3971 71926.7815 3925.9293 10840.1314 38126.5980 37837.6380 357.0799 9642.6261 143.5033 129.9507 158.1677 102.6415 5201.9406 13654.8885 9669.5766 13343.1810 42386.0140 54781.4186 53092.2723 5013.0704 3485.3877 53700.1470
3-Methylglutaric acid 21343.7661 19887.3847 342.2638 3457.0256 18103.5446 501.4402 2565.9670 9169.4693 78993.4887 5454.6349 60018.8581 3204.7007 10164.2670 77817.4720 28418.2262 5235.3357 23771.4282 16612.4555 2550.7368 7838.4965 25753.5709 29472.2745 4115.9240 12602.7564 3164.2072 12899.9387 41716.0435 8450.1466 3684.9672 2794.9486 1161.7532 13778.7336 3069.0723 6468.3360 8666.0290 15595.3445 12363.6897 2378.6962 17434.2793 19904.9735 7611.1888 3627.4027 3449.2720 13961.1641 50538.1063 2526.5628 121688.5085 435.4928 531.4627 5692.7847 2405.5480
3-Methylphenylacetic acid 1440.3433 838001.2644 3636.5421 966346.4357 1746192.9060 45561.0997 84078.4968 227895.5080 18783.2683 849292.1138 572826.8321 929636.4474 18380.9426 3428296.5960 97881.6235 1747.1330 935669.9123 1034749.6060 1996922.5660 11329.3321 135424.6310 1291535.9760 51160.6608 608231.7157 14008.9898 187458.8158 397725.2032 489589.1096 20069.1109 3426.1389 1873.6642 295000.6522 115740.0695 5220.6845 729928.8101 413515.3535 1112413.2590 382301.5538 272706.8138 248380.7751 372395.2237 496839.1087 293367.7337 481633.7263 836480.5132 7605.2481 54423.2421 25274.9020 499823.5849 895802.9374 425894.1966
3-(Methylsulfonyl)-1H-1_2_4-triazol-5-amine 19138.6848 287.6489 10801.0850 1806.2087 4892.1326 15949.3408 11026.2355 21222.7324 3148.9989 1786.8368 344.3472 19898.6887 1223.2450 5908.6592 3460.6650 275.7507 1296.4143 1270.1663 992.2413 3957.6263 2151.1046 2956.6804 8365.0201 3502.9088 110.6430 7847.8025 385.0640 3607.4315 3247.0380 470.2140 757.4406 8509.7035 3293.6254 2653.1486 2901.0451 2637.4864 2195.5945 3442.9705 965.4628 278.7373 1139.5685 2172.1623 216.6612 1000.3796 998.3707 3268.6883 2179.3352 885.6779 1100.8733 1729.0163 5440.8446
3-(Octylsulfanyl)propanoic acid 5869.8730 6864.3065 4560.1371 9540.6848 1710.2072 4693.4000 3968.2163 7553.1181 6050.1859 957.2249 16030.6207 1960.0870 4944.1705 10452.7513 1877.3203 5901.9562 1575.8254 6006.2941 7327.7222 4422.4075 7628.7681 1035.3775 4539.0331 6856.7465 1001.4684 6210.2504 6444.3650 7877.7611 7333.5393 23428.1965 5501.6185 5418.6931 14006.6169 6812.6429 5363.1423 13633.1002 8054.6043 150.0679 11463.3507 6508.6073 21700.2201 1864.3262 16616.9667 5618.1602 4602.4972 5322.4360 7966.3162 4087.0267 2190.9086 4978.6232 4625.4968
3-oxo-3-[[(2R_3S_4S_5R_6S)-3_4_5-trihydroxy-6-naphthalen-2-yloxyoxan-2-yl]methoxy]propanoate 1766.2111 1045.4669 1689.9469 1171.8058 5670.3133 2066.5615 1388.4326 1754.2168 366.9061 2008.3827 1140.2920 338.8260 1413.4982 2174.6711 1527.8463 1940.8773 426.2576 1890.2122 9919.7426 809.9495 3449.2078 1932.9031 1739.3253 2172.9717 1863.9118 1185.4008 1028.4697 2442.2185 1714.6609 1904.6530 2233.0787 1857.2539 2344.6037 4346.8301 201.5461 275.9353 2375.9232 791.4813 140.6084 4235.0090 2119.1353 1578.8149 5414.9452 2286.5797 208.0272 3751.2710 1897.0666 2107.3557 6193.0464 1795.0417 143.8180
3-Oxocholic acid 1380.5035 535.6248 3150.0098 1232.2756 474.8065 12301.3677 3173.0064 923.7345 41114.3635 998.9641 1345.9563 6692.8009 1351.7882 3018.9697 8570.1717 41.3301 365.4507 147.9694 1890.0156 2916.3760 5128.2620 255.1424 3209.1785 869.6226 177.2802 1087.3459 1240.0535 1311.5329 58986.5072 379.2342 59654.9079 407.2913 1497.9259 2323.5056 556.7044 1234.6686 1010.5739 279.7651 5498.5954 1069.6269 3124.7601 952.2334 626.3022 1230.2535 7119.5732 894.1759 61211.0988 39106.9554 2325.6626 3924.9811 1699.3865
3-Oxohexadecanoic acid 1250.0250 1979.8161 741.0135 2904.2206 1061.0445 6299.1416 2114.4811 1101.5104 7959.3724 1285.0768 3543.9162 1548.7969 4401.0524 6964.1336 404.1803 4728.0400 585.0066 3377.6400 1518.6323 2863.6999 1587.4755 996.9738 1380.9092 1474.0690 2141.4767 1366.6664 5152.5182 13190.8830 4785.6856 6565.8734 3413.2237 1365.3848 3825.7726 4493.5975 14919.1934 2088.6594 1666.2876 6508.7914 1292.5342 7675.7950 7854.8974 3500.7665 1678.3338 4092.2038 1254.3709 22628.4510 5068.9545 611.1666 1013.6684 6246.5595 1573.4361
3-phenylbutyric acid 96698.6699 270295.4586 16547.6287 324.1268 1946.0518 715.8490 18519.7665 39374.5387 3135.6511 4285.8109 1008.6784 842.0499 3540.2865 3311.1973 18149.5191 2834.1027 3045.3188 63875.4795 422.1839 13531.6432 72780.8205 164.9719 20442.7319 1224.4402 241.7813 605.2932 28633.3248 3614.4586 68239.0421 726.0464 22142.8403 1982.6114 2129.4111 62568.3058 4094.4654 15741.3016 562199.0802 12448.9262 53940.3426 52953.1013 13799.3640 730.6801 1579.9669 20608.4692 2249.4317 938.3397 321.3133 68.1385 62954.9066 7223.6744 15559.4254
3-Quinolinecarboxamide_1_4-dihydro-6-(1-methylethyl)-4-oxo-1-pentyl-N-tricyclo[3.3.1.1(3_7)]dec-1-yl- 640.0916 684.9336 950.6765 1003.1507 2207.9148 900.3134 893.8449 813.6683 256.9850 412.1775 1891.9392 901.3481 493.5692 137.9767 1164.9479 118.3499 299.9569 803.4879 3135.5012 120.5667 922.4743 759.0384 1078.3668 2748.2032 3293.6338 2555.6834 456.4309 1261.8494 1399.5448 1003.7687 786.3589 1945.6862 1610.5729 2086.9456 833.0576 482.3200 1111.7262 1346.5658 2328.1986 750.2285 1111.2563 1450.6491 927.8688 1498.7206 825.5237 1072.7369 475.8045 920.6873 667.4052 1717.3455 924.7552
(3R_4S_5R)-4_5-dihydroxy-3-phosphonatooxycyclohexene-1-carboxylate 7472.8839 9152.2063 10702.3164 7291.4430 11846.2431 9649.8601 10778.4857 10226.9695 12917.6477 6347.2149 13381.4436 9872.0032 10235.9835 14422.6879 6752.6219 10544.5977 8792.8400 10680.3016 11558.2144 9637.0835 9485.2483 8707.8486 10998.3185 10931.4446 12067.6900 11499.9717 12238.8437 16753.8072 11453.2467 10661.5292 11809.6478 11000.9986 15618.4857 13906.3590 12107.6906 14166.4607 16750.8986 6398.2214 13778.5577 13728.8217 12958.3438 8323.2306 11260.5459 10342.9707 7073.2629 8941.5384 16103.0359 9929.6626 10327.0510 12654.8048 10228.7790
(3S)-3-Hydroxy-L-enduracididine 778.9810 13953.3065 30173.9573 13400.1279 25383.8550 435.7302 51224.8340 1745.9316 27596.7979 6650.0031 837.0846 7686.8501 20972.6882 34440.4881 34999.6314 17406.5445 400.7774 1903.5227 3213.5712 34927.0902 913.8743 20335.1871 55111.6966 352.9482 16534.9305 3140.3776 326.0473 1748.6030 22622.3944 15645.3255 27610.4635 411.4928 2976.9520 6160.5752 431.8135 15102.8922 23541.9137 4031.0428 11565.2336 5193.2743 15722.9042 29042.2012 3028.4495 4345.0427 24199.8083 14252.5945 33216.2919 263102.8304 10264.5636 5548.4699 15973.6779
(3S)-5-[(1R_4As_5S_8aS)-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-5_8a-dimethyl-2-methylidene-3_4_4a_6_7_8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid 13762.1957 11510.4294 4789.3938 4215.0145 15090.1341 2521.8110 936.2753 10966.0379 8346.0971 9751.5614 40791.8595 283.6783 11122.8257 13559.4206 848.8539 993.3456 4841.7694 10013.8299 29065.1886 7324.1081 11354.0135 10407.5501 3279.7226 17680.3641 35280.3060 4669.1192 7549.6121 33067.5638 4888.1929 5565.9244 10220.9325 5241.8483 27281.5842 10412.5938 4946.2640 6162.3132 16662.4369 18780.7418 30098.8376 20764.0668 17098.2757 17941.9787 4084.8376 8642.7499 1504.8829 5107.3401 24182.9637 7033.3722 5261.8777 2904.8376 3161.6060
3-Sulfodeoxycholic acid 2757.1551 3279.2565 1861.1867 2418.9581 960.7932 797.4830 3453.6963 300.5324 10585.0290 2615.5295 3627.8659 3693.6912 789.3535 233.3100 4348.1994 237.2240 7369.1887 2703.6114 4274.7106 3648.9205 4052.3380 2966.8546 3527.4340 4778.9047 4061.9126 3535.4422 2446.4540 1465.5980 1558.6776 4823.4120 371.4955 1145.0382 3661.3897 7214.9004 3563.7446 3202.8798 3795.2817 713.5310 3591.6655 3754.0353 15046.1170 1047.3525 4409.8558 1095.0299 3927.7165 12242.1949 2841.2502 3427.2335 3631.8984 7002.5550 3867.2154
4-[3-(Trifluoromethyl)phenoxy]butanoic acid 1766.6724 2971.0409 7927.9713 3730.3954 4515.7746 29439.7625 1854.4326 5137.7913 9604.9444 3378.8207 3344.3015 6745.8500 4592.7884 3562.8503 7790.2121 6024.7178 4663.5710 3440.7256 1427.2836 6905.7780 2119.7019 1397.7835 8232.8104 5008.4891 4674.5420 5213.9978 3631.0693 3789.0605 6126.4216 2876.5150 6373.1412 5630.2857 4002.0621 5240.6696 3256.5622 3980.1088 1297.6172 3360.6717 1118.1817 2595.3359 2949.4879 2926.8424 5248.0499 4397.5384 7309.7972 4698.7656 2298.8666 12632.7644 1972.3162 4383.3054 2176.0534
4-[[4-(4-Chlorophenyl)-2-thiazolyl]amino]phenol 2675.4482 872.3273 2202.0631 816.5993 872.1013 2310.9685 3075.6357 1095.7747 289.2903 792.6700 842.3715 2226.6848 876.1708 2086.2477 363.3959 991.7778 316.6013 241.0663 268.9971 788.5063 920.6921 278.8075 592.3067 864.4482 990.4133 554.6230 741.0892 1127.7574 1268.0827 322.1970 930.0351 1947.8466 871.1561 901.3701 448.0034 821.0182 971.6709 832.5282 785.0166 646.4208 1034.4059 915.2151 765.1731 807.4024 282.4272 961.4064 1070.4072 452.4492 681.8996 987.1211 1429.8198
4-[(4-Bromo-3-methylphenyl)sulfonyl]morpholine 1200.8621 741.1569 693.9997 696.2022 983.2436 350.0731 985.6590 369.3549 695.0018 652.5535 524.3812 582.7843 955.5508 231.9025 1159.3380 1266.9809 915.3042 851.0141 160.4813 692.0497 466.0489 834.0151 1146.5124 418.6916 801.7246 158.0882 843.2861 158.4833 743.2884 542.2182 690.2073 409.4971 179.9436 913.0796 849.8515 540.2829 493.8098 811.9492 301.7056 504.4116 111.3192 313.0675 651.6336 989.6210 1139.2256 862.2884 938.4110 1184.2275 136.5044 552.5903 696.8913
4-(4-Fluoroanilino)-4-oxobutanoic acid 4394.0006 3444.4104 6400.8052 3375.2235 3272.9925 5410.0302 4405.1667 2592.8322 3808.4823 2846.7431 2843.7541 3598.4015 2611.4213 3661.3669 5220.7823 1102.7882 3248.0432 520.8424 957.5393 5233.5176 2759.8613 3517.1073 15351.7360 504.1325 5545.2164 11032.0598 2676.6629 2761.5748 12574.7969 2999.7781 3548.9256 16034.3923 7409.0398 4508.0447 3570.6506 4766.6699 693.8693 505.3348 2958.1044 2433.7071 4448.2977 2252.5216 628.5556 706.6386 4422.5679 456.5324 739.8335 4748.5630 672.3974 7370.9359 4083.2904
4_5-Dihydroxybenzene-1_2-dicarboxylic acid 1805.7662 1772.6845 2029.1353 1870.0650 2022.9256 1552.5475 1699.1674 1578.8533 2024.7333 2202.0090 1737.1157 1707.7894 2026.2294 1666.1192 1913.6045 2596.4574 1517.8462 1643.8334 1309.2772 1764.9366 1171.6003 1582.2644 2367.7411 1470.3843 2030.2783 1385.2857 1768.1837 1371.3135 1783.2651 1667.9131 1031.9853 2188.6779 1329.7355 1646.1248 1980.0717 1081.9133 1400.2714 1638.4857 1400.0149 1176.5885 722.1700 1946.7419 1730.0447 1357.8997 2115.6264 2199.1516 2165.8280 1808.1529 939.3688 1983.2015 1866.0611
[4-(5-hydroxy-7-methoxy-8-methyl-4-oxo-4H-chromen-3-yl)-2-methoxyphenyl]oxidanesulfonic acid 38776.6538 6023.1141 46360.4838 651.3119 32109.2266 69000.5908 52434.9348 98396.5923 19744.2513 5443.6791 49418.6520 36311.4528 19469.8469 43727.4966 24378.8928 10302.1737 18207.6995 22226.0758 29522.7882 1636.9588 7823.2946 17320.5378 48360.0581 6269.6598 15900.8722 40077.4757 18429.3567 33786.6328 61341.4159 7618.4604 14159.7169 52443.7768 38725.1649 46726.5066 28781.7713 34451.1310 22814.4333 7905.9955 22586.5765 16904.0600 52673.3669 5357.0948 15059.1406 22442.6795 20069.2906 6878.9187 49128.0184 24613.6938 26591.5074 64573.7933 21039.4148
4_6-Dimethyl-3_7-diphenyl-2_8-dioxo-2H_8H-benzo(1_2-b 4521.2282 2054.9007 2714.9517 1676.8727 3677.1799 1630.6582 3609.6160 511.2420 4461.4664 1746.0674 927.6811 4382.3877 3594.8766 2189.8691 3498.3476 2482.3806 113.6976 678.7013 1585.4861 3884.3208 1554.7351 2400.1874 2895.8193 2111.0833 3721.0239 2212.5493 600.7204 128.5319 3330.0224 936.0361 3698.5567 950.7524 1438.6858 4833.7667 3565.1729 1564.1415 2215.9899 2009.0776 1562.3336 622.5165 1619.1625 1651.6280 1946.8779 1557.8946 2879.8446 3135.5696 4801.0309 2634.5734 655.2738 508.0123 3460.0094
4-Amino-5-tert-butyl-4H-1_2_4-triazole-3-thiol 9536.3136 16320.5923 9258.9338 5859.6384 15453.6068 13098.9162 8062.5845 5968.1163 6439.5655 6572.1996 7120.5838 7756.4342 9552.3035 3327.9025 4809.3760 5063.7884 6051.6507 5786.0596 6244.2806 8266.5898 4748.4156 7307.5530 9693.6089 9923.3924 4919.0943 6721.4404 9513.8486 11275.2927 5793.3671 10605.8581 8532.3308 7713.0343 7194.1669 13362.9137 5814.8637 7318.8414 7153.4568 18188.8400 7449.3352 10028.7299 7367.5597 11861.6433 10085.4507 3819.3571 7694.4086 40616.8405 8322.5037 10685.2916 8057.0849 7539.1967 7589.1574
4-Amino-N-(2_6-dimethylphenyl)benzamide 17150.9915 15137.7910 16810.6361 13573.0477 16811.3320 16619.6611 18126.0330 17451.7689 19004.5370 16866.0723 13512.7199 15156.1219 19452.6277 17180.6084 19063.3343 18853.3941 17435.7402 9571.8430 16462.9813 19652.5999 14221.7530 17802.9008 19340.2671 18950.4404 18843.4883 18362.6440 17220.1290 25983.2467 19613.9178 13943.5481 9182.0453 36646.5447 14882.2710 22630.9759 18510.7103 18092.5430 30238.7316 16843.7099 14858.1340 14749.0209 17279.5750 15286.7467 32630.1066 20752.5830 19793.3237 18401.6168 19107.4333 20499.7236 16380.8532 18430.9062 16244.9612
4-Aminopyridine 3384.7129 1270.4044 1598.5820 2698.6002 1159.8089 284.4818 121.4930 3623.2002 1385.4502 2334.1399 2452.1561 1527.1217 1846.3248 560.4442 161.5047 2211.9792 821.7876 1752.4734 6847.7626 674.8362 2066.1898 1086.7277 1416.0025 5717.7276 2741.4252 6246.8401 2839.6084 2312.8486 6615.7508 794.5226 1392.9414 1745.9100 5317.8372 2462.1060 4158.7210 3929.4132 2611.6158 6049.9775 2998.3947 3209.9068 5673.5385 3350.6203 4986.9739 5096.4468 248.1722 1448.9971 2857.5500 615.5858 2523.5302 3855.3670 141.1375
4-Androsten-17beta-ol-3-one sulfate 29864.0114 25544.1983 17856.6602 29706.4878 24976.8434 45985.7104 64183.3463 13551.7154 79670.8882 1317.6464 28041.5926 7302.2415 38006.6022 136312.8400 34189.6474 21242.8241 21248.8040 24150.3933 32792.6908 41249.7175 33431.5522 5688.9052 25131.7614 57961.9282 15121.4999 63139.8076 988.0104 79921.7391 22198.4695 35758.6927 30449.4670 21441.4439 39253.4341 48774.2067 17409.1624 22535.8400 45092.4927 40675.6388 35824.8270 27914.8008 17400.6416 41851.0596 27855.1751 23225.4962 6934.3434 22293.1349 78697.6429 60613.1474 35656.0027 29051.5717 12347.8782
(4As_6aR_6bR_8aR_9R_10S_12aS_13R_14aS_14bS)-10-acetyloxy-13-hydroxy-9-(hydroxymethyl)-2_2_6b_9_12a_14a-hexamethyl-1_3_4_5_6a_7_8_8a_10_11_12_13_14_14b-tetradecahydropicene-4a-carboxylic acid 1554.7039 2816.1966 1277.5744 121.0677 1600.3195 134.5350 1300.8382 379.8052 4675.4323 2968.1295 1295.1792 512.3913 1543.4112 1849.5740 1252.7774 1360.3243 880.2048 3222.8531 10230.4180 937.4433 4346.0878 3501.2346 1344.3033 1363.1328 693.9197 1849.0410 1223.6187 1674.7669 526.6765 3896.4086 1462.8289 128.2282 3711.8089 1137.9468 1599.3640 952.3707 6619.4416 1786.3785 2017.8718 1846.6126 3993.3382 2631.3903 116.9626 1560.4040 1360.4217 141.7433 397.3999 1330.3445 4155.2501 4670.3899 1638.1180
4-Benzyloxy-2^-hydroxy-3^_4^_5^_6^-tetramethoxychalcone 212.5984 21427.2463 10486.1520 8634.7676 7098.1372 9882.2027 9983.3834 8841.2548 13135.1663 8700.8261 544.5983 9412.4877 6593.1674 17035.8311 10666.0254 8249.7813 9137.4959 1190.9537 11510.4553 9469.6447 14199.1357 8314.7159 8629.7598 14149.7188 9546.7487 10777.8791 2091.2292 16176.8425 11120.6546 55215.2722 9990.0313 8749.4322 18841.3171 842.1806 1294.1325 30770.8977 4041.6953 5198.0168 58738.3636 3585.6324 1249.5533 15138.9373 2376.3810 9132.8810 9354.7148 9724.3638 6905.6707 9453.2801 15180.9043 9704.0839 8640.9762
4beta-Hydroxywithanolide E 251.8589 446.7239 96.3944 111.7398 709.7905 267.6165 365.6770 417.4996 450.6890 371.4806 776.4000 326.4685 538.3178 486.1071 379.0586 424.0132 117.0783 568.6151 447.5069 394.2206 171.5450 219.6386 129.0947 602.0483 1162.1207 390.7716 106.1608 446.5164 149.4008 434.7112 779.5222 415.1026 688.8395 606.8404 125.1100 1127.4104 130.2739 661.7739 483.9134 808.6181 522.2440 612.4612 103.0476 576.4449 357.1810 414.7377 956.0299 700.7410 111.3570 101.2202 341.5930
(4-Bromo-3_5-dimethyl-1H-pyrazol-1-yl)methanol 3444.0433 3515.9854 3812.1984 3884.0781 4087.4410 3989.3296 4178.6238 3673.9830 3733.9896 3305.7803 3731.2642 3232.2537 3369.7821 3499.0756 3741.9878 3646.6830 3727.1233 3550.7196 3291.0306 3354.2057 3292.9237 3569.8516 4014.0608 3864.6254 3718.9906 3752.2689 3977.7732 3702.2130 3562.1837 3555.8822 3623.3782 3927.4418 3700.8242 3753.9976 3582.1912 3685.4488 3173.3286 3427.3430 3463.4661 3478.5591 3355.3588 3307.8478 3204.5583 3620.8204 3628.4060 3975.9624 3689.0856 3845.3499 3626.2142 3497.0964 4057.7542
4-Bromo-N-cyclohexyl-5-methoxy-2-nitroaniline 27577.4346 25880.5092 27953.7637 27435.4493 28926.5757 28550.3681 28266.8053 28686.4577 28121.3735 27132.4229 27944.7668 26816.6840 26785.7639 27125.5200 28411.5252 27218.8243 26377.4085 26516.7639 25731.8673 27254.6512 26612.7499 27323.4391 28937.7760 27897.5056 28687.5720 27129.4996 27223.1214 27638.2029 28671.9388 26866.1530 27489.6392 29787.3027 28298.8934 29144.5355 26851.4781 27773.9212 25983.0811 26549.9312 25524.4302 27196.7281 26432.2178 25995.6941 26531.3307 27375.4383 27634.9077 27576.6915 26351.7161 28606.9968 28234.8952 28010.1002 27853.3831
4-Chloro-3-(trifluoromethyl)phenol 896.1038 379.1055 457.0806 365.5752 844.5116 502.8316 1027.4913 129.4103 899.3310 606.6396 591.6256 711.3732 1187.5592 593.3195 996.3213 1009.0733 791.3708 866.8574 511.2876 1339.2012 515.0717 740.2401 1407.0093 847.8450 1031.9091 656.8529 168.0730 388.9975 1130.9685 546.8419 422.6342 921.2334 166.2007 1196.3954 772.3266 742.1283 188.4407 629.4395 458.4514 340.4357 470.9014 357.0032 629.5290 728.5881 1573.5440 1112.1625 743.0497 1205.9256 554.7962 1093.7844 982.7794
4-Chloro-7-fluoropyrrolo[1_2-a]quinoxaline 1498.8561 1062.6069 643.3165 539.8920 1049.3920 881.4478 1511.5186 1670.7656 964.8157 677.6606 1111.3289 2214.4958 1795.0373 585.6786 832.9107 1221.5604 1359.5011 1295.2250 753.1682 1822.6788 843.3867 1732.0224 1478.7776 444.7307 1581.0627 1520.6285 1686.9229 583.8219 1343.5362 853.8152 1676.7798 1731.6748 1096.2152 1486.7127 1571.5465 977.1932 409.2078 219.0259 378.2890 1210.1446 414.2155 205.1832 1236.4338 1212.7345 1800.9159 1406.2873 1102.4103 1329.7857 740.5169 2115.4948 809.8369
4-Chloro-8-methoxy-5H-pyrimido[5_4-b]indole 1926.8911 997.0392 1911.9472 270.7606 3530.1084 215.8950 1814.4364 2111.4935 4401.2131 5437.7297 2295.2098 1949.0266 384.9868 115.5721 2029.8109 1861.5410 6611.7534 688.6647 9770.0304 1622.1984 4775.3427 870.6865 1920.6041 825.5342 863.9321 1820.1499 1388.9570 2297.4490 1962.1389 1026.4855 238.4726 3049.8287 4168.8606 121.2928 1668.0842 143.5295 5392.1102 1221.1997 5105.0098 355.1438 5392.0742 1958.0946 1589.4589 1778.1757 1931.7426 117.2859 736.8574 1556.9584 981.2640 2329.4203 145.8087
4-(Chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one 7397.2017 6444.4139 8039.0280 6623.0569 7112.4452 8177.0245 7608.5477 7255.3900 6122.4697 6001.5089 7328.3100 6945.9467 6692.4329 6634.2081 7539.2494 6667.9371 6981.6938 7295.8825 6102.1746 7110.8746 7031.8256 7100.2132 9186.8574 7110.3063 8699.8761 6625.2526 6520.1875 6526.9112 6426.6959 6743.8689 9360.4692 7276.0989 8799.8459 8163.7472 6801.3998 6354.7267 7076.3213 6203.7307 7526.2749 6430.1583 6661.0248 6671.8134 6783.4202 7204.8303 6703.6126 7795.4006 6667.4697 7463.7878 7677.7486 7025.5112 7828.6785
4-Chloro-N-(2-methoxy-5-methylphenyl)benzenesulfonamide 389.0206 438.4861 541.0570 307.4185 147.5969 446.0766 630.3691 471.2144 319.9853 742.0490 564.0318 464.1709 607.6146 170.4892 695.6388 632.9264 332.3096 526.5207 436.5065 409.3832 423.0114 305.0904 230.0699 661.3439 620.3858 199.4733 333.5085 584.8238 685.7787 732.9245 304.3824 663.4312 631.0748 600.6803 378.0888 266.2420 391.7299 215.6404 632.7963 544.2256 460.3108 198.4160 410.6157 208.1717 259.7692 658.1440 432.2012 755.6167 560.3215 405.5438 660.7078
(4-Chlorophenyl)urea 15631.0658 3597.5497 3309.0667 2257.3888 1330.2662 5774.8748 4491.8813 19018.7223 2735.7425 3118.2811 2422.9808 7313.8114 2369.0136 3072.5872 180.0210 3794.8971 1116.6297 564.5209 2368.2033 2722.6861 3184.8187 498.9189 3631.9926 4439.6685 1161.7812 15584.2665 400.8764 2185.1729 9955.4986 2895.0315 3666.8047 8011.8515 5213.0057 4211.1755 2629.2717 2290.1266 5485.3920 3595.8071 171.0075 2005.4634 5598.6303 3003.6580 2340.1981 2258.2645 810.0772 3909.7544 5175.3473 2331.7506 1005.4866 9258.8950 3902.6539
4-(Difluoromethoxy)benzonitrile 33256.9331 5053.9845 12440.6358 6892.5900 676.5455 24371.8185 14636.1585 53174.2760 1253.8998 5821.9311 5820.7517 30191.6627 5066.0406 23397.2455 8579.2664 8377.0553 1566.5089 1512.6850 1196.1655 9394.5039 5687.6427 1745.8601 13390.5434 7624.5135 685.3311 23544.3242 5217.4761 4985.3085 23359.6147 7707.8696 8728.3725 10112.2675 3656.9595 8512.1704 677.3550 1681.1960 9602.8889 7133.9625 1586.9687 3140.6682 10723.0682 7276.5712 5309.2320 8110.1094 7773.2701 8545.1833 3280.5967 1242.8117 5974.4389 10017.9934 6872.8135
4-Dodecyloxy-2-hydroxybenzophenone 554.1144 1445.2965 610.5332 808.1896 688.6396 426.5656 544.0188 724.4157 832.3812 2088.6025 275.9787 663.3306 958.6241 1094.8030 314.9837 1157.1343 610.2861 679.0057 307.9165 735.7328 992.3606 658.6530 587.7401 818.3491 727.6755 687.8442 541.4510 768.6534 735.0473 778.4090 655.4218 809.9127 724.9774 651.7483 143.4635 799.7096 252.0296 648.9371 777.2886 424.0122 240.8007 1187.2846 1224.0434 1045.8654 464.7778 163.8546 1980.5427 621.6348 694.1060 593.6369 631.6004
(4-ethyl-2_6-dihydroxyphenyl)oxidanesulfonic acid 1559.2699 1042.7681 847.1413 1403.6804 147.1775 705.9867 120.3638 1436.3589 1075.9348 1121.4295 1299.0691 479.9046 1046.3032 1043.5883 468.2074 1597.6799 1654.3967 1293.4556 663.5892 984.2154 272.1595 1303.5360 852.4924 1205.3765 2007.4692 1337.0832 808.6166 1376.3713 1514.8384 116.3246 1321.6588 1289.1001 227.1968 1138.4002 1748.1834 1210.3252 617.8705 885.3863 276.5974 805.7364 272.2708 629.4137 611.2904 1222.1868 115.6421 996.6280 1473.6872 896.0438 160.0176 1219.3447 932.8364
4-Ethyloctanoic acid 27067.9718 18203.2973 26134.0389 67969.7713 28025.8469 51160.3763 26101.3269 29351.2898 27075.6594 29039.0175 22053.9059 29951.4117 45572.6885 39933.5555 73379.2716 59174.7973 28132.6239 26326.0186 15516.0464 22068.6251 25570.7867 28104.6906 30479.3597 22649.3725 19393.4792 25112.1155 27503.8176 14847.1946 23621.6224 22958.3558 25774.8930 26587.9810 15574.8552 69133.6593 18594.9289 24209.8864 21016.5602 22025.3008 24111.6360 22591.5839 19918.0913 38516.3882 19172.3470 49686.7678 23648.5974 25210.1409 35178.3141 19733.9047 29536.7954 39147.3317 21966.3123
4H-1-Benzopyran-4-one_2_3-dihydro-5_7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6_8-dimethyl-_(S)- 1746.7387 5375.3865 126.1061 6857.7346 117.4382 2792.4272 617.9192 913.6917 2480.0656 6356.3544 13185.8007 11914.0226 129.2471 5011.6881 1192.9911 3475.7545 2020.1163 4021.6683 2107.3979 2139.7516 4370.4720 2964.2806 2247.6817 5876.3898 1742.4175 1564.3825 1741.8696 16914.6571 3885.5452 2879.9606 2987.3317 821.8513 3555.1806 3659.2018 428.3829 1204.6900 12653.0399 2034.1927 2589.2811 482.9841 4220.8236 3798.3693 5528.3551 12424.2560 706.5778 2893.4757 4226.4434 2574.6459 122.9486 8162.9229 595.5735
4H-Pyrrolo[3_2-c]pyridin-4-one_1_5_6_7-tetrahydro-2-[2-(3-quinolinyl)-4-pyridinyl]- 3443.0987 2576.2608 3368.7920 2863.6922 3424.5355 2706.7317 3961.0763 3631.7834 4429.9019 3867.4682 3318.4633 3288.2990 3801.5551 3198.9920 3743.6608 3738.9715 3374.6409 3020.1658 2600.0839 3479.5897 2762.9643 3599.0577 4196.9916 3726.5462 3441.0048 2897.3948 3622.6467 3036.0965 3132.2053 1681.8418 3753.2132 3442.0275 2155.1244 3731.0590 3745.8242 3136.1170 2382.2006 3175.6942 3036.6188 3101.8991 2641.3289 2893.4080 3482.3395 3773.1521 3662.1030 3628.5270 3643.4213 3767.9370 2726.7058 3349.3646 3869.2396
4-Hydroxy-1_4a-dimethyl-7-(propan-2-yl)-1_2_3_4_4a_5_8_8a-octahydronaphthalen-1-yl 6-deoxy-2-O-((2Z)-2-methylbut-2-enoyl)hexopyranoside 64554.4274 46520.2427 84620.0274 444.2652 85359.5849 4878.8005 109719.3191 105660.2472 13205.0370 68581.3371 50193.4761 178715.1622 68179.4277 70184.9332 95729.8418 70101.2791 95013.4732 120478.1616 86635.8784 116947.8404 3941.9661 64324.5693 85623.3796 49934.2852 113152.6517 70514.9673 15462.4338 81157.3173 20674.9811 67757.6661 2385.2543 63958.9939 928.9893 106990.0778 105823.3897 1478.0260 1104.4487 58837.1714 70110.5032 57552.5966 83398.1983 70333.2964 13953.5613 7351.0829 100591.8923 76951.7886 5400.3234 5446.1989 688294.4584 55168.4917 404271.6238
4-Hydroxy-3-methoxyphenylacetic acid 1454.1034 320.5456 164088.5617 52.1329 548.6105 2520.6660 100357.3287 110.7140 2842.7133 5390.4912 650.3086 1696.1209 439.4691 21072.8564 16250.3433 189716.0715 524.0009 228.5622 594.7091 5531.0107 830.5911 182.6921 7780.8292 96.1394 1097.5785 10122.6894 101.3960 797.5567 81.7381 29.4136 9881.9011 15814.1848 58.1646 70.4135 208.1999 31.2880 91.6145 490.6797 502.4127 718.7308 816.7618 5657.5704 17020.4945 8277.7836 4310.4178 223.9944 5873.2776 36260.6474 328.9830 85.1064 6357.3067
4-Hydroxybenzaldehyde 24135.8722 134750.3117 15702.4936 19183.1610 123.2906 11947.8782 11853.0740 53757.6332 24832.0907 2088.4143 94144.2953 19110.5406 17337.5147 7277.0641 20951.3503 64293.8333 12059.7062 679.5253 1626.7300 15604.1455 3541.2707 2118.6291 6072.3626 773.8961 134.3615 3351.1235 167.5097 8364.9993 16590.8443 786.2478 20080.7052 13637.7080 1477.3847 1061.4748 16250.6888 14715.6787 28160.0053 3595.5857 428.1471 1551.2344 3073.7015 390.6500 32632.6588 13108.7870 19045.8814 30533.6445 5642.6983 16572.7839 8910.2688 136.9159 18426.0192
4-Hydroxybenzoic Acid 3375.1878 5106.7918 3392.8327 2851.6749 376.5280 4385.0962 4434.2604 17326.6583 4712.8416 3663.6601 3476.6598 2474.5201 2431.2624 3358.7298 1588.6568 2708.2393 2048.8721 2973.5355 8526.9397 1143.0173 4887.4129 981.3512 2392.1826 324.6353 1315.8586 5746.4718 313.0270 7936.3380 4157.1841 4050.3214 7736.9365 684.3381 4711.7014 1424.3784 2290.5888 3256.3123 5666.2095 4117.3556 4422.9774 313.6067 6852.6369 4737.9307 698.3373 627.8532 333.1981 433.6916 1521.0006 6172.3763 3786.6829 3244.7985 4588.2923
4-Hydroxycyclohexylcarboxylic acid 706.2886 303.2331 992404.1664 43.4798 1011.9087 6853.4021 202851.4388 46.2638 2514.2376 53328.4465 28130.0225 4969.2188 793.7844 171.0512 4878.1233 361469.1927 57624.8507 65305.4938 24146.8562 2977.6283 74939.8179 55332.5814 32129.1641 44489.0992 110.7180 705.4308 6332.0305 503.1976 279.8653 68157.1809 16112.4964 414.6036 54553.0522 150.1205 3018.5332 33.4109 557.1854 1392.3145 35326.5272 55280.8127 189.0733 81.3074 63143.3786 455.6402 301.8752 43.4779 47.5140 59157.0398 27962.6526 57760.8157 4216.6961
4-Hydroxymandelonitrile 61471.4370 47507.6854 55354.4042 51217.5442 56684.2787 47855.4450 63762.3861 60628.3117 58479.2260 51956.1253 51820.2810 51068.8600 65426.3978 51312.5858 70168.5986 61470.4164 62780.4203 55581.5709 46358.0580 67336.1441 42738.8870 62253.3954 66277.8818 58203.0362 66545.6223 50411.1152 55417.9572 51263.1382 58157.1327 39124.5569 57053.1721 62149.4896 40568.4825 65689.4615 62432.2092 52625.4715 40154.1670 49967.2862 42076.8576 48907.1946 40476.9973 43118.0645 56580.0162 62084.1479 69195.9839 64766.8368 59151.8582 61905.4221 43776.5509 55132.6735 64536.3730
4-Hydroxyphenylacetic acid 84228.5259 971.6358 3917.9790 1039.0831 2958.5237 685.5855 3134.3075 1136.2003 2395.7976 1001.3115 1468.2475 1600.2083 4781.4954 56.9394 5202.6171 7780.6871 860.4491 5044.5869 1307.5656 1842.2690 434.8069 689.9115 168.9097 1674.4080 4637.0624 841.8906 1756.7713 1676.2258 2651.3272 532.5290 99195.2048 1042.1862 1388.3363 10582.5567 4559.5232 524.1505 233.5119 2048.4321 1087.9115 1719.0974 784.9297 784.3081 1192.6294 2662.6878 2956.0101 94827.3007 18385.6073 12866.5612 1035.4048 2749.2714 681.1205
4-Hydroxyphenylacetylglutamic acid 8433.2309 52426.6506 8180.4321 105655.9015 2810.5936 1648.4448 15662.1364 6355.2541 14613.1680 44404.2166 26023.4451 39952.0655 738.8524 6558.2858 31002.3020 24540.4476 27403.2915 112951.0814 118172.2217 5407.4898 33158.1639 42642.0770 16033.3540 17293.8878 119750.7194 1537.1570 10032.1199 54493.3835 265.9275 19409.6877 75.5654 15841.8468 19814.6637 27039.2020 18561.8643 20414.0533 90999.5559 11064.7563 33415.1534 43042.7429 260527.6956 54849.5708 6803.0601 73457.5418 16116.9120 13255.9730 3755.8433 16671.5777 83329.2547 32870.6956 4743.1283
4^-hydroxytrazodone 2063.7587 194.6812 2246.3663 1822.7101 2009.1051 2021.5222 1874.1612 3817.7115 2696.7143 1011.9299 1070.4388 2026.2388 1872.9215 1055.1472 196.2977 1750.3549 849.0130 646.1098 2051.8561 2044.8257 1703.2047 1392.4440 2810.2734 1598.0532 3637.7640 1762.8385 217.7762 1237.9111 3266.8243 2969.4752 1199.0649 2726.4521 518.2949 3335.9263 498.4651 2465.5240 4558.1945 2037.0620 3145.1279 2497.7672 5025.1852 2255.9707 4597.7606 4226.9574 1687.7962 1912.3218 2866.5815 2355.6096 7812.3634 17472.6128 1302.0610
[(4-Methoxybenzyl)sulfanyl]acetic acid 139.1173 22409.7449 7056.5609 1895.7488 3539.3301 14455.4815 12070.6024 34945.9594 12032.3019 8934.3791 1634.2933 2095.7309 1703.2452 859.0790 8079.3183 8880.6174 108.0144 12791.9102 11934.5806 7674.5824 1218.8551 8529.4610 8002.2952 8347.6922 8773.7337 3708.6361 23349.2257 4015.8308 28336.1283 6884.4955 10227.5716 111.4685 9947.1800 13954.1506 2574.9291 10983.7591 6686.5592 24634.1234 29114.8493 16267.8469 955.3137 11621.7733 8848.7208 2297.4507 9494.2415 9042.6169 10656.5894 4182.8299 249.6695 9503.4017 7626.1327
4-Methoxyphenylacetic acid 1306.9263 2334.8878 329.4343 2522.8970 321.5339 7174.0686 1709.9246 2573.0876 1508.6466 2845.5616 3058.4060 3117.0369 4794.8272 4946.6854 362.9621 3333.2400 2591.6288 3760.4142 2919.0769 5806.9062 3425.7433 2999.4319 4040.6854 2757.7729 2965.5384 4891.9679 1680.5202 3101.2836 2416.6838 3252.1772 20839.1601 3220.5047 3498.3357 314.7385 1502.2339 3287.0097 364.2302 2101.9888 2867.7077 3116.3902 3839.1433 4086.8888 2092.3774 3525.8225 2233.3895 1636.8122 2731.5376 3084.7238 3286.9424 3763.4482 2186.7096
4-Methyl-2-methylene-1-(1methylethylidene)-cyclohexane 1203.3937 1789.1937 1099.5067 588.0708 3370.9932 1042.8947 1064.3120 271.4358 1160.7231 2239.0331 348.7763 1199.6989 638.9108 2026.3611 896.6122 920.3179 1013.4312 1006.4974 3394.1754 205.8859 1065.2726 1675.8151 1180.3385 1466.9458 2614.8709 1673.1902 1786.5730 1080.2625 1255.5114 2254.3564 1267.5235 1205.5894 2923.4419 1332.0585 1070.8782 1247.9896 318.5984 258.8535 2578.6641 1076.6721 1079.7721 246.2774 1222.0840 1222.9158 1226.0187 1364.7619 1267.1990 1159.4859 1377.3850 1456.1982 1088.8346
4-Methylvaleric Acid 1325.1883 601.3346 1699.7686 70504.6625 410.6814 1098.2182 1912.6294 1235.2511 3595.3413 8194.0194 2334.8089 24684.3073 426.9031 5410.9635 8758.4391 140.9956 509.6682 810.8160 39794.3190 333.2146 10032.0721 2865.9090 173.4630 989.6152 1095.9182 1955.0346 654.9699 2081.9320 315.9450 1721.0427 50.3426 460.3179 124778.0896 2003.0474 1179.0228 102538.9108 31748.2733 1046.2402 66618.2048 43195.1817 1235.1098 900.0345 29382.1867 30840.9167 264.9041 137.2369 1466.5592 2212.0556 65026.3769 2194.9451 6076.5688
4-Nitrobiphenyl 2869.8283 3251.0844 3425.4634 4120.8753 8547.2075 3346.3736 2997.1448 207.2739 2977.5419 3967.9365 3410.1248 3820.6527 2828.4048 13068.6447 2705.5155 3113.8871 4237.7854 4114.4845 8103.3866 3293.1586 3047.9884 6903.8583 3460.5335 2361.0756 2850.1625 2640.4682 997.9707 1785.0381 3027.5440 3437.1097 2826.9100 626.6019 2654.9171 3301.6155 3197.0057 1167.5855 4401.8508 1118.9835 344.2285 1983.4624 898.0640 1777.8588 903.0716 1430.8211 4306.9855 2962.1713 2901.9967 2849.7751 1592.9648 2948.1015 1268.4735
4-Nitro-N-(2-pyrimidinyl)benzenesulfonamide 2020.8251 791.3725 1327.5189 817.4824 704.5787 637.5684 1400.7992 1360.6983 1902.1462 1273.1381 1476.5847 1534.2648 1700.7050 178.7668 1101.6795 180.1784 739.1823 1173.5342 503.0969 2241.5497 516.8832 7682.4595 1787.3116 2056.1678 2105.1243 2522.2110 820.5466 762.3990 1954.7209 437.2664 1264.8466 2132.9265 684.9175 1358.7344 2456.8975 1407.5291 1129.9710 1332.8638 1227.1978 476.2392 1418.7150 189.3762 1344.8588 1455.1455 402.7155 1825.2625 2841.3773 1803.4670 1306.0401 1869.1691 434.0869
4-Oxatetradecanoic acid 1533.0510 2130.8282 461.4199 827.2886 1290.1821 1035.5641 1026.2685 439.6829 107.4479 1508.6760 4046.9596 397.8716 1196.5951 410.5478 962.3471 1412.9209 552.4446 1438.2800 8178.4739 868.3929 7872.4771 1895.9179 781.3613 3051.4061 2638.6989 384.8337 1860.7877 3593.1758 1175.8069 312.8635 965.4696 98.2520 7506.0254 1597.0915 107.2910 933.3028 10038.7043 1616.8754 9365.2126 2459.9227 3266.5181 5780.9125 226.1797 1782.5143 1188.6707 1123.5897 247.7293 870.0013 2194.7801 375.2076 933.1603
4-Oxododecanedioic acid 1290.5324 1761.2679 1065.9424 2305.2647 157.6209 618.3760 1052.9900 161.5608 1258.0113 2931.0317 2794.2881 1349.7236 861.8521 1631.3942 1104.4500 1389.4893 2073.9491 2429.3426 2734.3297 1300.6619 3023.4800 1397.3531 1036.3044 1365.1687 1362.9669 650.6775 1550.9254 1502.2927 1172.5048 853.0154 1232.2470 804.2180 1171.0623 1275.1107 152.8332 1178.3185 1025.3949 1371.0730 1461.1641 1207.4224 726.5038 1975.9482 3393.9073 1760.8712 1488.0703 1298.9969 991.8642 1076.3474 2035.8208 1727.6669 307.8726
4-Phenyl-1H-pyrazol-3-ylamine 125063.7013 291709.2533 5283.8393 319650.3729 16930.0736 1041.2258 8383.8678 71750.9435 2673.2646 373845.0916 213006.9200 1632.1190 100777.7889 316639.4615 13854.8173 11028.3334 46060.6876 27292.1353 2487.1871 21532.3554 510272.6592 8791.9797 733.4404 73885.1960 211192.8166 101681.6341 5187.6737 321996.3182 48309.0898 2755314.8530 155278.7159 20673.2067 401141.8516 184353.4555 75894.9239 9255.2146 483773.9434 238813.3925 344254.2025 179777.4144 401576.2600 290705.4924 154669.9020 77459.2505 10800.3886 16031.4218 128808.2536 4891.7366 373803.4739 182716.3983 46934.7563
(4R_12bS)-7_9-dimethoxy-3-methyl-1_2_3_4_7a_13-hexahydro-4_12-methanobenzofuro[3_2-e]isoquinolin-3-ium 333.0430 1262.1602 1719.1126 758.5622 3072.3570 1249.2099 1109.3318 326.7518 495.7133 1116.5172 1126.6298 830.3765 1232.0229 1493.2900 1568.3304 1187.0887 1027.6939 945.7881 1135.1198 1774.9768 1331.6655 1182.6418 1378.9793 1041.9319 1262.1273 2835.2721 203.3549 639.1221 202.7767 1643.1001 2736.9363 1340.1501 1304.0648 1062.3169 218.7816 1266.4393 1531.7542 228.0514 630.5194 1388.5723 217.0158 1170.8940 6343.4587 1148.2504 205.4358 2165.8108 1224.5361 615.8815 1359.6334 211.9579 188.6612
(4S_4As_7aS)-4_7-bis(hydroxymethyl)-4-methyl-1_4a_5_7a-tetrahydrocyclopenta[c]pyran-3-one 9882.9979 26280.5357 9253.1615 7888.7301 9046.6272 8696.5909 8262.4939 9819.0984 12064.4255 21662.1162 9035.5741 2079.4441 9550.3505 13513.0683 951.6566 10566.3674 10927.3383 3152.8814 24110.0638 9036.5172 70583.5435 9976.2945 5967.8677 3108.3307 521.8723 803.3811 4617.0296 11281.0641 10321.8224 9245.0428 10102.9660 9843.2731 12336.7014 10611.6967 11392.5999 22398.9582 5370.0438 10403.2666 33033.6894 16450.4915 8469.1909 10245.2931 18037.9200 2309.8476 8770.4786 8375.3766 9448.9281 9510.5526 40111.4567 7852.8994 3820.7507
(4S)-6-chloro-8-hydroxy-4-[2-(1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3_1-benzoxazin-2-one 9354.2713 1559.6496 1279.6405 1676.8846 317.3482 3384.2669 2045.2049 11921.8117 499.1787 1637.1124 966.6280 4146.2281 1649.5398 957.8912 2855.3796 2337.9570 350.8993 1925.7891 1059.2825 2204.8744 1983.3673 1761.2265 1449.8555 2172.4125 2524.7686 10964.2503 1400.3015 728.0322 5552.8463 2010.4995 2354.2091 4714.1861 1694.7377 2513.7736 1365.1764 669.0425 2351.6103 2173.3620 1960.2009 1835.1313 1237.7490 1769.3362 1836.3529 365.0434 2470.6756 2603.4322 1581.4462 655.2607 1759.2417 4191.0709 1432.4714
5-(1_1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol 19028.7253 24965.1415 14058.3040 12145.4370 19568.2116 11671.7614 514.5755 23695.9044 11977.0179 24933.8163 23331.5181 11085.3411 18666.5507 22470.1323 10386.0677 18955.8308 18916.3728 21669.7956 24730.7268 13204.6743 25682.2390 22981.7626 12686.9647 22438.6175 25044.1369 17302.9282 18807.7753 31396.0285 11351.4787 19392.8344 9001.9247 16761.0829 32915.2315 21730.4050 16588.0146 19082.9262 26629.5500 21750.0089 28169.4645 23300.7431 25443.1616 26484.4644 16631.9126 22374.2812 9458.8236 14960.6618 17325.2958 7336.9969 23693.6775 16894.6558 17811.7625
5-(2-Fluorophenyl)-1_3_4-oxadiazol-2-amine 1832.8898 111.6396 2682.2917 212.6152 1816.6224 823.1370 118.8322 3538.9685 1714.5445 1022.6018 1642.0688 1077.6009 596.5768 583.0980 1132.2700 601.1688 1299.5408 2199.2300 2289.9477 1359.4995 415.2556 920.1751 1398.4150 3408.6848 3068.6846 1276.6687 118.4351 647.3110 1323.5878 1062.8256 1112.4762 1646.0982 3570.6631 1934.3928 2156.9644 1281.2059 293.2218 3983.8483 1231.2836 2469.5900 670.3243 984.9512 306.2766 2764.3716 352.0060 523.8379 3049.0560 151.6298 509.8526 2774.1711 103.3220
5-(3_5-Dinitrophenyl)-1_3_4-thiadiazol-2-amine 547.1538 3379.9309 802.4801 2499.0805 1712.3245 79.3968 104.7498 1279.7219 2267.8306 1007.3169 1544.5806 82.3684 2788.0581 1330.5242 86.4532 2803.4412 592.6595 1418.3300 982.5872 1760.4676 672.6857 420.5691 734.6663 3029.0172 927.0836 400.4922 2615.1837 1178.1990 1092.6750 1020.1686 614.5667 514.9730 2710.5888 624.1159 2402.0747 2770.1202 479.4282 2886.3954 1021.0625 2917.3989 1549.3776 1584.3597 629.2635 3173.9011 2616.3746 617.0798 295.4483 263.8076 2707.5581 84.7147 456.3210
5-(5-Chloro-2_4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide 3014.5193 2121.7464 1986.1770 198.7969 1399.0092 1052.7259 553.1269 1359.5535 567.2916 1466.6899 1267.3664 7089.7063 1233.5624 572.3098 1882.7267 237.2410 253.4190 7564.4564 750.8938 5643.2624 2578.0242 960.6787 885.2037 1282.9916 320.5038 515.5374 1113.7765 7420.9540 1895.1587 6531.8303 10368.3090 3260.7542 1636.3166 179.4727 943.7538 1142.0921 11215.0368 5852.7472 14031.8075 476.6193 354.3252 28340.8639 560.6738 2092.1976 56.7426 10891.5497 2070.7886 545.5203 676.6617 2036.6922 588.6470
{5-[6-(3_4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5_7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl}oxidanesulfonic acid 2456.5348 1015.3253 5579.9507 2525.3210 7719.2731 1422.3519 13479.0048 371.0727 1124.6406 2068.8640 1978.7665 1892.6484 873.9617 2729.9173 5433.9175 2578.2501 8079.3777 2285.7741 2023.0944 504.7625 2474.0194 2680.0202 1535.1911 2785.4144 3680.2458 3032.6382 166.9075 1100.3763 3307.8362 2213.9686 2853.6699 4481.7574 2192.8969 3529.6672 7512.6303 2220.9484 2257.5013 2670.5184 2273.0001 2242.8137 2056.9348 2528.1545 2824.3888 2630.7040 3828.7225 3294.0323 3124.5348 6476.3656 266.0598 3529.7859 4919.1854
5_6_7-trihydroxy-2-phenyl-4H-chromen-4-one 631262.5452 7140.8626 320.1350 357.0511 958.2241 21080.8833 310036.8064 457051.6944 263921.9421 244546.5510 351851.5451 17412.8014 25011.8569 14992.4893 592094.4306 19288.0493 182481.7860 313366.9790 330886.2469 1058.9151 307313.2021 101530.4160 5043905.7660 385221.7512 331575.1840 492027.6722 164971.6154 376935.5171 79063.3780 401777.5204 5129.0398 323465.6194 528665.3546 289435.7151 145713.7629 284336.1978 141242.3860 177366.8385 208835.5509 146039.6338 325.5546 183545.4736 256597.6785 449.4262 770087.7374 28845.0567 2784.8914 7039.3189 198483.0768 167529.6111 200298.5944
5_8-Dihydro-6-(4-methyl-3-pentenyl)-1_2_3_4-tetrathiocin 446.5569 280.1475 534.1196 1001.7538 551.9097 108.5331 525.0106 632.2088 770.4484 765.4488 332.9588 155.0951 286.4720 566.2951 551.3034 338.7616 994.0484 732.0904 272.3709 558.6071 458.4032 596.6853 553.5858 421.9395 1548.6364 269.4183 275.4218 988.2105 926.1316 411.6253 428.9002 813.7485 427.1940 481.5161 980.2638 164.0039 113.6028 467.7718 288.6855 106.0328 235.4411 249.6199 265.3580 841.3059 597.1281 556.6844 949.9262 562.2552 104.9118 677.3444 531.9585
5-Aminovaleric Acid 246315.1367 249245.9055 253612.2628 245786.0906 249458.3564 241751.5824 268020.5707 253986.2764 252033.6545 263290.4949 256003.5871 220800.5899 261397.5318 245808.9730 275549.0293 264568.4736 252893.1836 253258.3781 239403.4702 249174.4188 233659.3339 256433.8563 262797.5133 262490.0525 268155.8102 263307.0011 270711.1754 240262.2668 256142.8477 246239.9547 263970.2990 266349.1391 246840.2482 268378.7640 262558.0938 260712.2534 249636.6647 261875.9733 253312.3302 255420.8075 237697.6564 271601.7278 276231.6080 267085.3964 274895.4073 258453.9930 260457.9620 246079.3574 231974.3216 251618.6826 260544.4390
5-Bromo-3-hydroxy-3-(2-oxo-2-phenylethyl)-1_3-dihydro-2H-indol-2-one 2675.2130 2290.0288 2521.1587 3110.3648 3135.3688 2755.2215 2788.4569 3021.1247 3188.8939 2451.8810 2792.5119 2753.2018 2169.9318 2781.3909 2588.5003 3068.9911 3062.6108 2426.4869 2246.8675 2737.8039 2517.4539 2718.8743 3179.3219 2909.6071 2387.2660 2741.2168 2693.7501 2970.1532 2894.3079 2807.3188 2846.2940 3183.6713 2965.6653 3170.5139 2819.0394 2788.4458 2257.4491 2078.5982 2917.6077 2616.4072 2502.6127 2321.2206 2615.4365 2980.3072 3002.9779 3121.9405 3018.7217 2775.4118 2974.6026 2995.8938 3180.5694
5-Bromo-3-nitropyridine-2-carbonitrile 414.6857 394.5663 440.0027 393.5283 418.8761 458.6329 480.9311 150.7158 420.4880 380.6716 343.8704 425.9866 381.6067 411.0153 384.5181 312.1323 436.2867 408.3363 360.4526 491.9847 335.5178 380.0727 482.0734 296.5017 562.1896 255.6819 326.9671 368.9925 320.8530 412.1640 703.0355 960.1905 381.4139 915.2076 267.5438 399.0348 324.3582 143.1280 333.6764 135.9923 384.8944 148.7357 675.5176 794.7081 408.1646 737.9906 311.0283 608.1288 456.4788 195.7922 664.4601
5-Bromo-4-fluoro-2-nitrobenzaldehyde 12505.9211 10361.1598 13991.1337 14468.9192 18618.8196 15391.9616 19225.8987 13773.8763 15319.7036 7115.6013 11824.1151 14729.3556 20719.7928 12216.4459 26749.5864 11064.8695 22766.1892 18650.3551 10930.9306 18800.3952 7658.5987 12221.0497 3724.4371 10245.2604 14791.1822 7771.1068 15590.6851 11562.2934 7180.1319 5591.4670 14460.6910 11085.4997 11018.2398 20601.2527 18108.0439 14647.4846 7073.5496 6762.5606 9061.8899 15775.8235 7231.3230 8242.5689 12895.8286 15439.3188 21400.0846 15159.9343 13952.4981 10490.4403 13946.1013 14579.1447 17302.8926
5-Bromo-8-quinolinol 1035.4837 809.4796 1000.8191 1511.7183 1063.9036 1060.3618 1152.8006 1306.1410 748.1863 2399.4681 1300.1394 1110.7896 411.2994 1395.1277 1104.3473 777.9016 865.1961 271.2009 2078.9689 1042.6180 3013.1059 504.3576 925.6787 2265.3086 1318.4267 1363.6016 1755.7999 1639.4140 723.7841 1011.7574 502.9318 1011.3766 1460.7804 2095.3041 257.5816 1407.5679 1047.9055 1664.3746 3717.1296 3604.9545 1309.1215 1883.9596 2064.3777 1597.4940 1074.2080 2267.5141 297.8176 974.4579 1708.8067 3443.6838 879.3893
5-Bromoisatoic anhydride 2449.8086 2123.3035 4625.0645 4996.2432 7537.7095 6394.0673 9690.8220 8352.9752 4078.3366 3764.2212 6140.3183 1423.9952 7334.7290 6020.8457 8591.7787 6302.6727 3117.5980 3629.1988 2751.5655 5957.3829 3502.5499 2903.3226 3219.7509 8234.5325 13626.7293 8475.3565 8792.2998 10237.0218 8333.8363 1014.1563 13156.2468 14045.3377 10037.8509 8781.8160 10273.0529 11793.0950 8788.9694 8209.0996 8724.3866 11854.8640 9893.1557 9807.2281 9638.7390 14231.5551 5850.5127 8349.1197 9024.3848 9085.6847 9939.8882 13063.5904 8635.8101
5-Chloro-1_2_4-trihydroxybenzene 1782.7737 166.9323 1474.3079 208.6498 1482.2748 1403.6414 1884.2989 1545.9686 1478.6296 811.8382 612.9145 1243.9564 1891.5635 486.1350 3987.9095 988.3953 2313.1259 1958.6745 506.0429 2858.0174 247.5955 404.0418 326.1323 671.4814 2286.1503 769.9463 1285.3609 140.0207 204.8318 861.9566 772.2433 1739.3743 742.6607 1663.2120 1625.2644 1213.2592 763.7402 471.6561 507.0971 1686.0860 286.7645 1423.6968 1261.0439 1572.8929 1848.7220 1434.8283 964.9350 1125.0641 777.2423 1664.3824 1443.1596
5-HETrE 2064.3214 10713.2567 105.7674 8021.7129 141.0105 2950.8113 805.9815 9968.2175 17189.1561 3915.7642 626.8276 356.0136 3167.3964 223848.2840 7081.2317 13773.8174 12178.6164 1202.7414 1291.9314 1887.6591 1949.7490 7310.4966 4677.6199 5887.8544 1421.5014 3730.7722 10094.4939 32012.3255 3049.7724 21565.3784 1260.3426 10650.8100 11934.3939 411.7449 6097.6997 14944.5263 11190.6974 7938.7797 133.1188 371.6961 2119.2693 18339.8459 222.5059 8142.5289 5415.6181 441.5780 10201.2707 1613.4351 4456.7606 2679.8538 5622.1982
5-Hydroxyfluvastatin 2422.6769 1535.1234 29783.2849 16038.6032 470.1389 61034.7671 342133.4911 5476.7055 20803.6495 95908.0212 8257.4077 47341.4953 7543.6893 2631.7775 61358.2710 48345.1457 31101.1310 21276.2825 685.2030 30424.9046 13745.6362 4271.0929 1942.9091 2327.9074 8062.2557 1761.8188 10147.3453 993.2112 3716.2841 21734.4518 1466.4814 11483.1566 3301.2163 2132.0838 3224.0933 4951.2710 4960.4032 349.2609 957.9155 807.2166 17272.1388 1414.1059 1370.9746 3255.7089 36197.2282 2046.7344 1561.6789 45211.4269 11192.6233 1767.8053 14865.4994
5-Hydroxyhexanoic Acid 1655.4746 4479.5131 2285.7434 17107.7388 4780.7126 2179.5629 1759.7528 6429.0059 5388.6009 7639.6012 7969.1576 5307.9518 2738.4334 7160.6366 5480.9943 2433.2423 2692.4582 4924.7547 28756.8118 2508.4361 16695.9490 1724.7711 2422.3682 8311.7309 4755.4490 5772.1680 3433.1795 4781.9516 2525.9030 4038.2582 1676.6187 2064.7179 39688.9677 2673.6627 4501.9760 59411.6941 6986.9667 4636.3243 87957.7705 68478.5093 8215.5472 4633.2870 122312.8428 31592.6775 2704.3905 2674.7113 1840.2893 2921.7150 71765.5099 6941.6173 4376.3349
5-Hydroxyindole-3-Acetic Acid 48349.7613 40783.0552 1780.4942 6025.0821 41824.2001 1250.4363 4673.8665 19464.8247 191956.9660 9860.7037 131369.3441 6489.4568 22841.6237 168971.0085 69945.8294 9872.7846 53873.9571 32650.8708 4515.6233 16997.9677 57841.1603 68379.2945 7796.7496 26211.6673 6814.6161 27648.9125 95548.7925 16307.2644 7213.6375 1535.0659 2082.1144 29177.9655 5597.3591 14142.4563 16852.7032 34891.4250 18577.4913 4047.2688 31447.2487 41390.2176 8617.0859 5672.9782 167.3485 31751.5708 122656.4498 5731.4258 284072.8697 1934.4644 954.9733 11548.6162 4576.1276
[(5-Mercapto-1_3_4-thiadiazol-2-yl)thio]acetic acid 4671.4304 5595.2706 5989.9115 5094.1908 5348.3469 5534.5948 6616.6391 5978.8455 6145.2436 5704.4668 2710.2293 6312.2011 5748.7124 4830.0676 6154.4504 5386.8176 6394.7242 5778.7411 5149.7571 2817.2810 5251.1667 5972.9054 4830.0482 5209.3300 6018.4976 5270.4113 5123.2158 5340.0988 5427.1833 4889.9978 5275.9134 5533.9650 5377.0866 5306.6960 5148.8692 5498.8482 1908.7073 4627.0590 4171.4904 4195.9360 3947.2830 4891.7994 4578.5182 4992.0469 4762.5430 4854.1474 4893.5705 5460.3019 5117.9371 4924.0299 4965.8710
5-Methoxyindole-3-acetic acid 596.6464 1358.6868 952.7909 1432.7967 545.6038 1091.2385 379.0491 129.0384 99.9128 586.4767 533.7966 874.6630 408.1714 398.2228 417.0671 830.2280 509.6457 1070.5082 439.0927 370.9428 697.7182 680.2235 147.4705 242.6196 352.8048 361.3793 482.5144 245.1893 354.1322 1525.1301 151.8074 315.3183 1079.5288 408.2699 125.2662 490.3232 1167.0265 846.5092 1007.4954 539.5364 568.1791 926.8678 645.2528 388.7389 414.3938 105.7458 99.5456 374.7290 578.8622 414.3186 117.5463
5-Methyl-1_3-benzothiazol-2-amine 1305.0401 177.9055 501.9316 489.0747 145.2680 147.2310 549.0756 740.8287 856.8579 192.4812 162.1253 189.5664 614.1845 671.5660 215.9857 849.7241 155.9899 181.0424 470.2570 735.2418 781.6135 636.7488 649.2830 1427.7543 1008.5818 1590.1618 353.7539 191.5245 1946.9476 1092.9307 685.3415 1826.0866 448.3469 576.9780 216.7022 804.9957 539.7119 827.0408 473.6445 195.7985 1085.4082 171.4873 347.0790 395.4186 137.8911 967.0725 1149.4830 403.1567 535.8145 915.5980 150.1503
5-(Methylthio)-1-phenyl-1H-tetrazole 7477.9637 1750.3850 9249.7677 2232.6304 766.5818 13136.8628 3556.6192 8477.8736 2608.7281 2038.5579 409.1671 12840.1747 1801.4536 1568.4831 810.7824 3272.5498 3220.8060 195.3074 195.8566 3826.2343 2002.1467 2335.3379 7362.1323 2249.6655 246.1321 10507.1084 1681.1916 983.8038 9025.6447 2376.0313 3477.0218 11528.2912 1200.6675 749.3129 1079.2804 1352.8419 1532.8606 1969.7871 1931.6644 1360.7112 2020.4123 1929.3408 2463.0734 574.0602 3175.5176 3518.7207 1091.2540 963.9695 2136.3565 7405.6447 3569.2823
5-O-Feruloylnigrumin 2814.7917 2644.1600 2713.2274 2344.7681 2690.9635 2935.2215 3341.0931 3176.4167 2606.9470 3007.4532 2484.9856 2355.4398 2921.9615 2488.0754 3192.1301 2899.7825 2841.2966 2932.8981 2108.8182 3209.3499 1985.6246 2971.3958 3426.0684 2523.8218 3287.0913 2614.8142 2658.4160 2572.0043 2759.3743 2030.8788 2250.3446 2892.7475 2564.0104 3268.6938 2866.8041 2946.3570 1948.8032 2445.4898 2225.5924 2523.7503 1565.5582 2184.0119 2806.3661 2625.3640 3454.1422 3070.9130 2659.9988 3268.0350 1591.3288 2438.3704 2513.7846
5-O-p-Coumaroylquinic acid 3205.6817 3753.6291 2482.2417 9800.0716 3150.3028 113.9376 1079.7960 3512.8031 4815.6512 4912.0611 8236.2603 4626.0457 769.1558 3370.1500 1241.6993 4432.5679 2495.8886 2605.3590 12744.3947 2662.2292 16488.2881 1286.7205 2254.7682 4226.9044 6810.7226 2316.2774 2879.6917 12862.9423 3959.2383 20310.1489 3729.1616 3263.8964 4411.7524 3643.6164 3234.6540 4707.9349 12973.7030 1670.9974 8312.8921 2504.7116 23496.7817 3001.8179 4290.1497 5193.7331 2034.8296 4304.0060 2660.6946 2896.7270 12729.9900 4199.4039 150.9713
(5Z)-5-{[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene}-1_3-thiazolidine-2_4-dione 11076.1500 2790.0658 2259.0143 2402.0432 2572.1580 5608.4614 1517.1262 8699.8566 871.7422 2649.8911 2395.9594 8106.5640 2363.0074 8582.8105 3426.2435 2917.2911 467.7904 2516.2333 2668.0697 2823.3219 3148.1435 487.4628 494.2873 2837.9241 2909.8134 6146.0015 2168.1124 1355.3768 3728.4671 1992.6839 2937.3028 2341.7271 1810.8007 2228.4684 2114.0905 2397.3016 1545.0521 2791.1157 2579.9541 2231.4349 2912.5812 3069.9160 2698.8480 2340.2024 1806.3544 2946.6512 3134.3950 536.1320 2444.8093 854.3530 2874.2947
5(Z)_8(Z)_11(Z)-Eicosatrienoic Acid-d6 524.3527 115.7653 1083.3309 5553.7185 4687.2629 4167.2892 2816.0839 3901.8287 6194.4421 16263.1076 7590.0936 4722.9405 832.5056 20932.8053 3323.9762 1150.9883 3696.1072 5188.0318 11012.4985 4620.5141 10071.9057 3895.1936 850.2960 28125.1335 1739.2263 5121.8429 693.2491 6225.5153 13384.1866 3902.6005 5939.5436 630.0996 1260.5265 4608.3068 2306.7688 5339.6791 24637.2548 9597.2608 983.9007 6174.6699 15939.5967 27564.9985 7289.4922 6826.3552 3340.9545 4021.1584 7654.8785 3609.3103 8466.7893 6318.9089 4250.8722
6_10_14-Trimethyl-2-methylenepentadecanal 791.7670 1386.9831 2320.7528 1288.3926 1683.7471 6821.3242 5770.3703 1796.8058 3328.8687 1387.5236 1517.2568 366.5246 1683.9281 2634.9447 2603.8267 2428.4839 258.6336 1126.4912 1013.6792 931.6628 1237.2866 1737.2189 3894.0840 1487.6960 1881.9810 1168.2182 1751.0208 123.2910 7701.8302 1474.1192 8272.7300 643.9693 107.1241 1853.0559 1408.1880 300.3265 724.1994 1249.4157 128.2401 675.8524 1566.0666 871.6388 1323.0974 1688.4960 2904.4691 2784.2340 4971.6255 6363.4744 1263.9676 1342.2591 1097.5388
6-(3-Chloro-4-methylanilino)-2_4(1H_3H)-pyrimidinedione 1004.8612 627.8072 895.1476 777.2943 1172.0388 695.3209 1516.9592 241.4925 715.8868 598.0539 216.1759 593.1428 876.1413 177.8655 3938.8462 561.3922 1739.2288 1165.5734 219.6396 1537.6298 606.9916 688.6017 1209.4697 451.7126 1038.8452 188.7193 231.0752 517.2580 235.9397 585.9194 667.6056 724.2390 571.7364 776.4664 289.9926 542.5060 474.4448 169.5565 701.5576 1104.5823 238.8490 745.4743 746.7851 1016.0723 1339.9752 731.4201 187.5003 1117.0897 496.9678 412.2804 1035.1433
6-{[6-(2-carboxyethyl)-4-methoxy-2H-1_3-benzodioxol-5-yl]oxy}-3_4_5-trihydroxyoxane-2-carboxylic acid 538.0934 539.4955 245.7196 575.2366 873.4991 556.9785 594.6764 1110.0550 552.6844 483.8889 480.6356 830.3559 604.1151 548.6293 1271.6181 1063.2255 630.6791 268.7445 239.4047 279.5331 181.7326 585.3599 219.4811 470.6721 527.7704 567.9592 757.6554 510.7311 568.1932 262.6966 497.3322 381.0960 471.8562 538.5672 1104.4710 436.5855 493.0913 475.6204 454.8725 590.6147 256.4547 483.9078 438.2375 464.4169 806.9642 500.6894 550.2474 592.9900 711.1789 589.2859 760.1276
6_7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium 194.1040 1288.4196 729.0803 171.0251 632.8235 660.7253 595.2028 906.6254 272.1537 848.4852 156.8741 603.6838 615.9266 1218.7196 593.6478 653.7769 531.9123 606.6730 2221.4945 564.0946 1127.4974 372.5457 682.8346 1272.1293 1361.1474 3009.5532 865.9515 1349.7962 1624.9521 903.6968 795.1858 319.8874 1405.7603 155.3382 717.2593 415.9640 1163.0765 1253.5247 262.1600 600.1940 1093.2651 355.9708 563.6894 347.3158 510.4508 835.2558 1732.3280 533.3229 871.6355 957.0357 549.4202
6_7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine 391.6279 1287.6990 1012.1561 1084.8767 1691.4850 1188.2755 1236.5880 416.2688 1399.1446 242.4050 1272.4104 330.0411 754.0000 1611.9594 645.5977 1194.8495 160.0694 1479.2874 1052.4381 1051.3712 1861.9288 2505.5043 1287.2837 1093.6162 548.7308 871.0080 2289.8972 1145.2445 1261.3920 1277.6920 1504.9375 153.2121 1041.8931 1448.9716 865.0339 146.7114 1234.8474 1046.4210 1184.5821 1649.6446 1905.1592 1221.7322 3411.9100 450.7082 4571.6534 914.1800 4992.6588 1099.4393 1106.0758 1058.3744 675.3198
6_8a-Seco-6_8a-deoxy-5-oxoavermectin^^1b^^ aglycone 77172.8993 23770.1614 2933.6883 100.6753 19329.5352 18593.7701 18963.6440 35200.5636 327.3165 17862.9904 7537.2820 13890.0299 16648.8925 4108.2387 101.9036 31370.2381 287.1890 14697.0773 2458.9123 16822.6413 957.3815 6232.8523 6067.3498 2860.7349 10527.5637 2975.8050 852.2562 4766.3201 25951.4227 10405.2322 120617.6864 30239.6455 481.6989 18439.1717 13848.1905 21956.3652 34140.9425 27270.8844 15983.5576 1513.8554 28198.3452 44834.7671 12751.6600 101.2650 4674.4197 820.1706 35156.3251 18133.5669 936.0633 216.4500 8954.3330
6-Acetylpicropolin 631.2895 884.0227 10596.9793 5667.2138 9424.5585 23050.6330 121047.1695 2088.6136 7354.6660 46664.1239 4459.0278 12919.1948 15042.9257 691.8204 26382.5248 11949.4283 115.2409 12434.9341 4449.1179 13182.3793 6637.1348 1576.6626 1171.4202 971.7906 8481.5103 3223.0394 6220.3645 12604.6485 817.1463 108.7022 13535.1376 3139.0340 1135.8316 799.2449 1381.4336 1973.0170 1541.3342 148.6417 106.9240 735.2344 8938.5025 1808.6118 539.3403 1314.5807 11449.8990 818.9239 145.1715 17077.5562 3647.0990 627.1829 160.8336
6-Bromo-2-chloroquinoline-3-carboxaldehyde 450.7750 672.7843 1555.6542 2099.6785 1918.3456 768.4085 1514.8446 3330.3415 660.2871 1932.8904 681.6308 1714.8079 1629.8862 4040.5863 1638.0500 6003.1033 1963.9846 2357.9662 1631.2140 1443.8503 805.3031 1734.9231 1461.9988 130.0980 1766.7099 989.4622 2713.4427 4216.0563 1081.1867 2632.6608 501.0176 1762.1571 3447.2995 3229.5755 1444.7519 2572.6614 2172.3504 2183.2760 621.4843 2856.9060 5023.0209 1552.5973 2456.5193 1204.9373 1583.6554 2074.7974 464.7225 1709.5997 3591.5307 1640.1266 1042.8222
6-Bromo-2-phenyl-4-quinolinecarboxylic acid 117.7409 723.8909 722.7249 278.2183 670.7596 628.4104 623.4777 2549.3872 243.6573 364.6271 379.3722 595.6082 121.3673 815.8555 136.4336 106.7376 1240.6634 813.7168 255.9753 612.2717 724.9452 442.7336 605.1873 138.9637 956.5480 529.6194 1352.7629 270.3941 615.4082 143.6788 577.0969 699.7582 451.4724 826.8365 364.1318 1064.4351 1202.8299 537.8710 2373.3325 2847.7864 980.3871 997.2573 1255.5721 1677.1310 110.2660 1062.6550 915.1354 656.1452 604.2613 803.6652 406.0670
6-Bromo-2-(thiophen-2-yl)quinoline-4-carboxylic acid 1084.0084 689.9294 1155.4028 982.2476 2491.5425 1131.8923 195.1738 930.6461 1046.8263 1081.0250 342.0374 1288.7916 1338.1932 2829.7850 146.7387 1010.3219 1842.5644 1147.6596 1112.9949 1298.6486 904.6844 1963.1229 1051.1603 1278.4130 1099.8489 379.8985 770.3562 203.3084 1099.3963 965.6716 983.4225 1373.2603 864.0370 1107.3203 1860.1361 619.3573 452.7740 941.8527 882.6088 966.0736 888.0278 1056.6277 1110.3929 1166.1608 1636.1781 1314.1393 1093.2046 1229.7626 866.7858 961.5995 1493.8476
6-Bromo-4-chloro-2-phenylquinoline 8421.9564 32587.0646 4393.0547 4986.7317 2142.2254 5195.0357 6868.4846 11292.7860 1125.4263 1073.7446 199.6794 6306.4292 6316.7675 5750.2820 4813.7664 6788.9851 5436.7845 14073.3884 2173.4809 5678.7606 4369.5741 5090.4690 5048.4665 4636.8360 3569.8811 552.7866 650.5488 715.9745 9703.9499 257.7437 4583.3147 3386.8957 5404.5866 7210.4012 5107.9802 4113.6847 10726.9158 4033.4038 3685.3288 2079.7148 1316.2363 11409.1377 9382.8357 6970.2937 4519.1336 1918.7344 4784.2585 4845.3755 816.4998 4139.9513 5694.7599
6-Chlorocatechin 12893.1890 3948.2792 1020.9151 3345.8926 3135.1511 7378.5218 1533.8214 14559.2719 874.5010 3781.6279 499.5449 14945.6172 2641.9357 15878.8739 3125.6247 3199.8585 3100.8330 3231.2181 4586.8867 3615.5395 4395.8341 3827.1799 1782.7776 3486.6210 2781.1004 16275.1419 2236.5984 299.4007 5185.8249 3909.4929 2950.4198 4156.3817 777.9572 1588.2416 357.8795 288.2393 2465.3137 3225.8760 3335.5361 2546.1793 4425.8604 3475.6772 3487.3023 850.9497 2618.7531 2445.1905 1463.8687 301.6433 2502.8066 3743.6624 1017.7766
6-Chloroimidazo[2_1-b][1_3]thiazole-5-carbaldehyde 674.1769 394.3761 701.2976 678.1957 285.2967 727.4198 673.6931 3307.5940 761.6800 656.7527 2253.9490 207.9587 86.5178 1260.9192 207.7312 764.4453 1112.3583 2611.5540 749.0500 618.8978 1410.8392 798.9864 97.3174 444.9720 876.6172 716.9478 1848.3642 106.2517 730.0012 1031.0820 198.0629 88.5250 2097.6415 1599.0170 850.7059 2441.8046 2425.4604 883.7787 1394.6207 1358.1975 3548.3202 635.3214 1188.3362 4090.9388 693.2594 640.5626 802.0648 642.2542 1467.3323 2505.8070 206.3203
6-Chloropurine Nucleoside 14511.3749 998.0982 7949.1146 1610.7143 1763.0548 147.4582 337.8029 5272.1196 4748.3258 911.1968 1292.5696 5296.9085 78.9262 1912.0186 136.6950 85.2066 1376.0989 1127.5580 1565.8436 8180.3387 1070.1042 9080.9055 84872.7167 540.7088 6567.1076 2711.0867 661.4600 634.8879 1859.2082 4741.5143 10569.0833 535.2691 6515.8908 5549.6216 870.7737 852.3280 1256.2521 119.2993 6516.6207 3718.6245 133.6334 422.5260 6906.5997 429.7948 1048.4062 6193.2340 7472.4162 29266.1770 2222.7437 816.8004 7862.1919
6-Chloropyridazine-3-sulfonyl fluoride 3088.1447 1675.5996 7102.7064 1853.3284 949.5776 5033.5141 3240.9906 1491.1368 1990.8908 1673.5098 1515.2738 4886.3505 2688.4105 1893.0259 609.6928 2518.1184 2167.3243 1750.3072 552.8399 2787.6534 1553.9041 1942.6470 6311.9958 1960.2511 958.4691 2359.9457 1676.6834 730.7728 3163.5868 2138.9111 2482.7983 8384.9407 1777.7805 1894.5477 1343.0020 1622.5692 1854.8908 2077.4183 1366.3974 1238.6614 378.8665 1585.8096 279.0750 1126.9304 2503.0518 545.7837 2264.5457 3210.5953 1682.0799 3256.1319 2751.5606
(6-Fluoro-1H-benzimidazol-2-yl)methanol 1109.3555 998.6397 617.5800 686.2318 1017.1591 791.3569 1189.0902 791.5258 310.7700 971.9746 1046.7652 1041.9813 662.6865 1084.2845 1563.6345 1277.3307 925.7267 1059.3253 1360.1210 331.5297 442.8945 329.6586 310.1855 1719.3840 2137.5175 1179.9628 1185.1791 1650.9941 1590.4788 150.2910 2325.6753 2253.2596 1849.6979 1943.4205 1516.2375 1540.5590 1881.8019 1976.4260 2153.1193 2168.0020 1963.6294 2481.7831 2188.9892 2927.6451 837.9364 1279.4366 1622.2602 1595.6026 1433.4517 1840.1586 1712.0223
6H-Indolo[2_3-b]quinoline 112311.1593 1464.7392 10596.4038 712.2163 5069.4028 2104.2878 1926.4457 14501.4780 1030.0632 141.0168 6562.5911 19664.7846 2063.9701 19358.4336 1894.1966 3997.4074 5377.3843 552.6531 8968.7470 10635.8860 840.3638 861.7570 14507.4416 15218.0326 11757.9580 11599.1611 4745.8614 8240.3737 1688.5577 3123.5386 67852.8900 13976.3391 126.1203 7245.5327 136.6537 1955.8993 3997.5450 3123.4236 2122.6984 3273.1074 13876.6924 9071.3328 9345.8196 468.1901 3322.0824 302.1493 20324.8091 324.7554 5400.2843 7235.6198 680.8774
{6-hydroxy-3-[3-(3-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl}oxidanesulfonic acid 1629.0307 5775.4770 2250.1841 2207.3481 11872.5194 974.5420 5072.5575 2705.7714 1937.8432 2645.2715 2158.3553 886.3134 3045.5142 3241.5945 3317.5731 12240.1501 15140.9546 6661.0419 3107.0968 16673.7224 2616.2840 236.1617 950.9783 254.6159 2877.8766 3191.7194 1811.9314 610.0756 3577.9078 587.2490 2942.7528 1721.2600 602.5405 5214.8256 10846.8459 503.5370 2399.0108 1786.9278 2424.1606 593.3562 2530.9356 2292.9896 2945.3627 1534.3534 10532.3686 466.5243 3638.5194 8560.3774 2080.7413 3541.1306 3361.7185
6-Methyl-3-phenylpyrimido[5_4-e][1_2_4]triazine-5_7(6H_8H)-dione 1461.6955 7714.8870 1043.4058 11464.0269 10473.3675 2892.7597 828.8769 5136.7134 3273.1548 10282.0649 11632.0498 6449.4060 662.3255 4811.5565 1263.0438 5970.7957 6527.8047 12773.5296 15235.9052 3087.5729 11851.4256 2126.3200 1685.4692 4094.4877 2298.6247 4876.0083 12313.6593 4361.8844 6486.7889 22224.1509 995.7752 2569.6336 6502.4983 1598.8507 4303.2558 9364.8422 29675.8410 7227.3353 12721.4244 6311.7271 6294.8902 8317.5488 13614.6093 2754.9532 1952.7344 127.0248 4524.7957 3168.3359 20237.4235 2552.6986 1152.8757
6^-Oxogentamicin X2 143.3308 8630.1580 3531.2375 6574.3628 3350.3721 1432.8045 2264.8503 4170.0749 4208.0400 16445.2468 8150.7658 4427.5381 491.8829 16564.3492 4446.2668 5136.2026 3817.0268 4261.9608 10342.0500 4002.7162 10555.1653 4465.8189 2563.5509 16200.7483 1396.4511 16416.7958 4261.8159 3638.8989 9892.3236 2903.6392 4600.4596 976.0132 527.2165 2830.5263 886.9608 3342.1747 20610.9896 9489.7964 10831.3953 6167.1231 12591.5063 17717.8828 8939.7825 6836.5157 3652.6774 1756.0819 4458.2389 2412.4056 6466.7793 6396.7860 3825.7946
6-(Trifluoromethyl)nicotinonitrile 295.6255 248.7362 4145.1130 5276.3939 702.0705 2318.7179 2535.7903 4488.1412 6526.5931 647.8616 372.5929 6463.8973 1738.5102 122.4165 2831.1578 624.7858 2380.0987 480.4110 977.1271 2510.8923 175.2544 2692.5020 1119.1689 1182.0410 1060.2477 2600.4820 2849.5540 5443.0410 4313.6297 8045.9871 527.8314 2122.4965 10426.9037 2473.7235 2732.4356 715.8586 55196.2840 5608.4440 11260.8424 3656.6400 35782.6318 9346.0194 6048.4399 487.3444 2587.7367 1015.8358 9725.2747 2594.8523 1727.5333 113.6862 2230.5909
[(6Z_10E_14E)-3_7_11_15_19-pentamethylicosa-6_10_14_18-tetraenyl] phosphate 15098.1415 14032.4190 12629.4362 16775.5054 11129.6869 15608.9571 12225.2204 17995.6240 18292.9144 13467.1207 12339.3476 11682.7666 11487.5132 16699.1956 12893.8888 15336.8127 13108.6452 12100.1444 1200.1929 5583.5332 15937.7711 13575.1175 14804.9817 15919.3291 14832.9956 13273.8829 12925.5832 1902.0820 16408.4319 51482.5263 42630.5716 7297.1363 44152.3110 15128.4308 336.0857 1304.4400 1324.9562 14040.6612 996.2093 20942.5520 19671.9962 389.6782 16420.0972 13792.4629 11383.9673 16308.1782 14223.6711 15415.7273 32702.1170 26448.7159 2732.6790
7-(2-Thienyl)pyrazolo[1_5-a]pyrimidine-3-carboxylic acid 865.3105 128.1557 959.1320 1122.5275 134.0775 1002.5185 811.0105 5241.9813 1811.0148 564.0591 4287.1607 496.0740 876.6902 904.1975 919.4337 274.0652 971.4128 127.4246 3706.1343 792.9642 416.1507 543.4316 154.5992 817.4909 1104.0562 3544.8052 796.0609 1717.9165 2893.7238 110.4573 642.9859 969.8902 3836.9889 1541.3667 1088.6512 2512.6461 2142.8228 516.5077 3516.2617 1275.2449 4438.1274 147.3592 1109.3798 1615.8413 854.4695 1098.0827 1611.5007 911.9149 1598.8350 3349.1304 151.9291
7_8-Dihydro-7_8-dihydroxykynurenate 2998.7751 364.0549 2754.1384 2329.5019 1618.0508 2513.9741 355.3182 391.3607 7559.7494 1387.3772 1027.4435 716.6722 2663.1499 4047.9750 3050.8179 2843.9953 6358.5435 2774.7817 3600.6027 3219.9569 2268.0257 1619.9349 2885.2269 4802.1256 734.4229 3193.2362 1870.9748 3491.0398 3094.0161 2171.1262 3329.1331 3298.9553 2746.7305 1369.3628 3061.6191 655.0275 8050.6773 2364.9740 4985.2384 631.9263 2475.8242 3037.8169 6893.8372 3032.1398 10945.4887 3795.9722 2930.9628 3599.6140 1608.3032 1546.2343 6763.9663
7_8-dimethyl-10-[(2R_3R_4S)-2_3_4_5-tetrahydroxypentyl]benzo[g]pteridine-2_4-dione 4305.2961 179.4238 1541.0884 993.6531 309.1567 4988.4107 1837.1894 628.5299 1169.7572 805.7068 677.1461 1574.5696 1000.7721 989.4373 1478.2946 859.3994 788.8682 912.9520 1121.1310 1100.6086 630.5642 1034.8269 1383.4940 1423.0260 821.2438 1473.6715 823.6525 898.6584 339.2159 374.0920 3959.3522 133.8482 1175.7331 923.9549 559.5928 1274.5890 791.2692 838.4278 1352.7164 537.1912 1154.1396 1104.8699 938.8580 1006.2839 1093.8202 1000.7790 131.8893 133.4579 1459.3366 167.2067 1306.1035
7-Acetylbaccatin III 23541.6768 26605.9516 17537.0341 18317.6456 24157.7687 25420.2950 27710.9964 33852.2867 97746.8479 24571.6485 20218.9129 18895.3252 23220.7899 43450.9619 25418.0462 12584.5953 807.4931 20209.1194 25312.3863 8891.7711 24206.0461 29634.2733 20628.9633 55691.4351 167.6836 4096.8952 19425.4901 42134.3809 51938.2465 5901.2737 28304.1632 34744.2905 12190.1463 24470.3209 20162.0018 24053.9437 28644.0174 45092.3970 26029.6432 20915.6551 27986.7054 25897.6638 25613.5141 23964.1748 14170.5493 63908.8391 42975.2474 45253.3115 23786.1794 22238.4763 10062.7132
7alpha_12beta-Dihydroxy-5alpha-cholan-24-oic acid 3932.9182 77.3371 11373.2542 297.7012 3938.6893 18620.2093 36067.3610 199.3455 16823.6536 1655.5503 2258.3559 5971.1867 2865.1178 5487.7871 363.1345 243.3289 921.3619 3197.1857 743.1289 9564.9267 522.3578 6937.6199 21429.9876 77.8149 1069.2460 4918.5346 1359.0611 1030.8581 27206.8091 2629.8164 27934.0061 4572.0769 1387.2766 36.3807 1892.7408 1768.0486 740.9353 5094.8745 935.0575 2070.6551 1944.0445 2240.1023 139.8533 111.0231 855.4881 197.8464 24738.2324 15805.2571 933.7149 212.1265 4325.5036
7alpha-hydroxy-3-oxochol-4-en-24-oic Acid 68910.5840 6171.4326 29242.4122 63794.1997 24762.8276 49434.4639 37149.9287 66686.3749 1568.4191 63883.2641 161709.9680 67744.4684 2931.3220 6997.0110 62490.2845 44223.6160 60581.1044 6481.2429 73498.8638 93046.7789 2952.0010 132009.9628 60292.3368 61985.8351 811885.0570 60024.7394 35890.8537 26198.4671 67628.7720 61465.7708 64626.1567 68456.1136 74665.5051 44006.8574 62667.3617 3698.2517 61446.3649 10674.9886 61447.0391 18342.4670 4459.1151 16346.4634 29171.5749 845.2502 68368.4518 63498.6135 6548.8936 41238.6004 50315.3121 5701.0814 63812.7029
7-Bromo-5-fluoro-1H-indole-2_3-dione 1464.0215 1696.0277 5321.1455 1748.9388 1502.9754 267.6740 558.9626 1616.0083 1448.4770 1377.0361 1535.7735 1406.2632 245.3458 257.9207 589.1947 1357.3561 1230.5601 1502.6542 1806.3762 1613.7921 1806.9677 1608.7014 1580.1191 1696.4370 2331.9040 386.2053 930.7305 1263.7698 1465.7364 1636.2886 2893.3201 2499.5484 1702.5963 920.9196 875.9272 2463.7745 1399.8505 897.2094 1716.3232 3500.0209 3619.0839 2396.3792 1030.5713 3573.7637 1296.1577 668.3868 1490.1899 1702.3604 634.7318 2192.6388 1457.0338
7-chloro-2-(3_4-dimethoxyphenyl)-8-hydroxy-3_5_6-trimethoxy-4H-chromen-4-one 127.7929 1103.0686 891.0946 127.8595 139.4938 895.8558 150.0356 815.8299 1155.3469 1489.1168 303.3739 1546.2530 526.3108 926.5082 1014.5018 3978.4617 719.4106 643.6857 326.3561 408.7877 1428.2741 114.3829 631.3759 1052.1524 250.6143 1052.3487 1958.0035 611.7317 684.2274 1950.3195 448.1074 159.4544 141.2612 120.8151 747.4704 722.0920 816.2364 176.0112 821.4484 626.9404 1838.4366 174.5657 1000.1343 133.5179 1042.4944 5993.7259 364.1017 822.4354 467.5264 1038.9553 306.3947
7-Hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one 1736.0112 1257.9573 3029.5949 723.6094 1427.7763 1564.6273 1578.2239 2553.4412 1359.9197 1071.7779 415.2467 1561.6500 976.5253 1059.0350 1755.8750 1419.2906 3871.5668 2935.7689 1390.2763 1541.9861 1178.6047 495.3882 1762.7006 3285.8494 1081.6601 3093.6810 1207.7636 392.7623 776.8015 1148.7835 1353.1591 2023.2876 1326.4655 1564.6284 4778.6334 1482.1407 1259.9270 1705.1937 1261.1662 1260.1800 1254.7316 1576.2986 1422.8127 4240.6083 555.5506 1470.3980 1083.1521 1142.6873 1340.7283 1154.4917 893.8824
7-Ketodeoxycholic acid 5960.2795 14481.0952 21228.2248 14316.6047 20113.1027 63553.7728 49828.2713 918.1646 140365.0434 24596.8443 35064.5794 4396.9092 816.2063 75910.0798 528.4489 32228.6792 1044.5754 1483.0724 25463.5373 34461.9545 16188.5877 32639.9514 39820.0647 376.4006 128.2254 6577.8268 1552.1746 49098.5184 163106.2567 26942.8201 313298.2058 3952.9174 190.4461 117.7022 361.5349 803.8434 34271.3206 3037.7564 144.5998 19009.0972 1726.1482 23830.2091 22880.7389 18668.5974 37797.8010 52128.4653 183091.4709 118790.7492 15909.4466 11414.0018 15040.4435
7-ketolithocholic acid 5747.8692 118820.4812 5048.7963 16953.5364 69511.9030 7703.8339 1207.0036 46311.1023 17461.7567 41527.0716 439669.7755 29402.4248 50307.4414 56971.7898 518.6492 632.0800 13121.1912 64088.9341 325410.4044 17528.2758 80086.4749 62076.3218 1070.7278 138291.7757 587479.3414 3757.4707 25437.6512 167808.4780 40646.8349 12199.9020 65492.8335 4414.6064 633440.7265 37412.3207 3098.6210 39609.4801 154970.6972 103915.8225 360045.8435 230825.1895 144396.1796 229530.4839 5417.5176 70885.5623 14368.0004 681.9157 68748.9246 22895.0829 23756.9063 7955.6416 4821.0980
7-Methoxy-4-(trifluoromethyl)coumarin 16020.6534 18763.1141 20154.3076 18252.2708 17700.0843 22260.6312 26676.8271 15201.6847 63507.0742 27804.0161 4052.0806 1752.4048 8479.8788 23560.8264 51000.3218 18953.6018 24943.2910 64192.5679 28157.1713 25436.4596 38967.1090 6075.9004 18664.2601 8228.0197 16056.3301 175.4054 19318.6596 14546.0313 15508.4155 4344.0671 19928.0916 12079.0156 1471.4287 5673.2623 8977.8416 1078.5175 20146.5651 668.4250 24687.8827 1703.2369 11755.9551 6926.9613 182.7225 1886.1547 24705.9924 18263.7653 6346.9412 25668.0291 152.2096 5331.1947 18339.4209
7-Methylrosmanol 76854.3472 367514.5046 896.0213 69690.7051 5597.8877 2561.2430 57771.4583 25587.1860 28407.0678 167918.9077 48891.3277 49788.8210 1892.6694 230302.6751 13130.6984 92544.0714 7488.7368 6226.2093 24709.8885 9120.1424 37852.2162 1274.1641 53095.6670 18519.6271 15829.1642 54855.8185 11080.4150 48736.0279 66403.1983 27602.2779 99638.2673 38996.7837 47713.5771 284007.9161 129.5797 30557.4755 79616.2757 79577.2273 482741.9271 84819.1138 730673.0988 139775.5133 68513.9946 14689.1937 4817.5640 89069.3667 84270.9771 54879.4585 133985.9653 24810.6996 856.3733
7-Sulfocholic acid 1059.1032 5568.6569 811.3683 137.3529 3611.7931 3977.9783 903.0921 852.1585 5256.9048 5650.6363 70.2889 216.5052 11323.2229 39878.0442 5136.1072 27199.6369 4702.5474 3262.0793 1846.6049 655.6609 2282.1301 6830.2924 949.5583 12649.0010 5591.5385 1393.0275 349.6927 31677.3380 7583.0696 3102.4086 32639.7195 1369.0928 2600.9234 1198.4854 4637.9827 1354.2991 3005.2278 2101.6462 4186.5042 438.9018 1852.4268 3584.3039 981.3737 80.4372 5355.5192 2920.7631 9259.1057 6236.7221 1142.6829 4612.7378 80.3431
7-tert-Butyl-5_6_7_8-tetrahydro[1]benzothieno[2_3-d]pyrimidine-2_4(1H_3H)-dithione 151.6379 284.0814 198.4663 177.4984 269.0048 284.8873 171.5239 462.9377 263.4086 464.8034 188.5039 159.7179 294.3047 343.2745 482.5135 163.6788 268.8649 155.6339 175.1901 254.5403 148.4002 124.1378 132.2879 240.3972 425.8583 284.6338 102.5538 314.2227 232.2507 505.3446 147.1106 135.2318 485.1127 490.8179 312.0034 332.1409 380.9453 131.3639 327.5357 525.4846 152.7157 318.1163 468.6754 431.9305 165.7461 325.1873 159.2802 529.7244 585.9236 342.4942 365.5831
{8-[2-(acetyloxy)propan-2-yl]-2-oxo-2H_8H_9H-furo[2_3-h]chromen-9-yl}oxidanesulfonic acid 17085.0771 2513.9175 20214.1064 127.8889 19342.6289 11677.9168 48551.0914 3854.8967 4681.4756 5251.0533 3583.3740 16974.1292 3527.4039 3225.4487 32537.2084 5502.9751 20022.0878 7422.1744 278.1401 1498.4735 107.2449 2349.2420 8074.9222 219.8016 90.9060 1583.6952 2107.6713 5530.6713 78.4663 1270.3030 279.2048 17209.6205 3900.1384 357.9348 19252.2517 3421.5669 591.7698 1055.5780 98.6049 816.0812 2584.5185 2857.3915 5978.7447 2489.6321 9170.7595 7182.1156 407.4949 24852.4442 3546.0230 5920.6252 19028.3599
8-(3-Octyl-2-oxiranyl)octanoic acid 4169.4038 1362.7991 706.0347 7774.9420 526.6459 3201.6712 2319.7838 4608.0736 525.5621 1994.8697 85.2208 350.7011 3324.8628 55752.4486 1366.6507 21319.7102 166.1738 3214.3143 990.9281 3720.3816 1506.3326 7367.1848 1013.4628 4365.3734 328.1766 20703.9965 2274.9127 507.5402 11352.0217 640.7204 2472.8754 5565.3696 4567.4207 3368.5192 921.6133 164.8841 325.9373 223.8242 3994.1091 1799.0495 1328.4854 63.8577 213.2692 3181.2806 3607.4310 138.6738 2842.9574 2942.0660 2442.9722 411.1373 1153.5204
8-Amino-7-oxononanoic acid 3622.1465 4145.7039 4044.8073 3880.8259 8689.1939 5663.1436 3697.1890 1039.2049 3577.5943 4220.0678 5606.5117 4641.6387 3300.8814 3897.6761 3350.5235 3401.2988 2976.9046 515.2902 8358.3059 1392.3576 4508.6416 3853.7807 3589.1258 4010.5865 4371.5577 2922.1159 1800.4538 7770.7377 3665.7588 4742.4635 3402.6216 3385.4413 1845.0767 3359.3252 3317.9519 3524.1994 4951.1531 3278.2030 4268.9948 2682.1537 550.1357 2600.0248 2085.6769 4167.4789 2992.8583 545.8345 3922.0565 4030.8184 15523.2138 6442.8017 4604.1854
8-Cyclopentyl-1_3-dimethylxanthine 332.6340 9417.0763 2367.2421 515.0254 308.3513 1764.0466 2108.0986 2385.7928 323.6337 4014.7059 325.3237 2778.2155 2193.6415 6085.0041 3140.7146 11974.3617 2179.3807 1656.0389 5686.6281 2402.5294 11304.0539 2952.0731 2251.8247 2567.0900 583.4659 1963.3525 1072.3189 3477.8971 2793.8497 3925.6073 5053.6473 2351.3730 1419.9380 332.1478 8847.9283 3255.8271 281.0508 1553.5302 687.5675 1918.2268 4609.6596 4070.1967 799.7208 912.7734 2704.0176 718.6551 2369.2080 1917.8362 11349.2507 372.3344 968.3012
[8]-Dehydrogingerdione 1319.2177 2484.7365 38036.5825 15001.5046 33421.2660 373982.5447 3054.5260 29544.5473 18786.6471 11612.4770 1829.2317 33271.3559 11661.9815 3229.0722 31285.1569 1006.0782 316.8057 1709.6979 367.3452 3107.9083 1025.5288 3966.1849 53068.4294 15297.2455 22439.7923 15497.2066 6048.0875 3596.2745 27558.6610 1376.7150 1403.3544 30910.8722 21718.4630 22872.1913 4496.7689 7041.0804 935.2309 10569.8271 147.8994 2758.5986 964.3093 3189.6592 1401.9561 1080.3280 23313.4301 7481.1273 2605.2444 12930.0123 17876.3417 15434.5449 23388.6252
8-Hydroxyquinoline 1421.1244 741.3509 1476.9063 1547.6094 1287.1137 1819.3591 1904.5032 329.7984 6032.6684 1652.1703 3700.8776 1477.6806 1698.5682 3741.9544 2773.3919 2015.0682 1625.4438 488.3267 1617.6526 521.8464 1143.1924 2409.7145 1789.6465 773.2036 1538.9106 638.4145 2578.3505 278.4261 2302.7973 1617.3261 3170.2114 1366.9675 1302.6179 328.9474 1328.3214 1200.0996 1804.3930 1454.2094 1567.8683 1043.3457 1611.4686 1471.8061 1738.5004 631.4303 3874.6619 2161.4003 6285.8906 2420.9613 1292.4973 323.0783 1512.8673
8-iso Prostaglandin E2 836.2136 2041.6141 1313.2933 1231.5183 2023.5720 2428.5176 3316.3486 22476.8216 2198.2304 4539.8887 5536.7490 1679.0377 5118.1811 8403.1872 1308.8104 2299.3445 1252.9135 1909.2652 6756.2595 4383.6962 29560.7268 1909.3846 182.0635 7064.0184 8342.7497 10499.1842 8878.9283 722.5874 2068.7232 27036.2504 1237.0859 3087.6670 16032.6639 14102.9877 2714.7901 3818.6254 14685.6138 8788.0289 3514.9996 3942.7322 4511.8172 12689.9243 3093.8918 7509.6790 2181.2686 4261.4304 19615.1492 2122.5964 9268.6613 982.9613 1502.3959
9_10_11_12-Tetrahydro-9_12-epoxy-1H-diindolo[1_2_3-fg 628.2857 665.5802 1545.4254 3201.2835 1619.6808 1912.8805 2084.6560 632.8807 811.4638 3601.7014 6773.2720 5104.2271 1868.8062 3516.1376 651.2347 2165.0236 797.7648 1732.2986 371.9353 1895.6518 2593.6863 1395.3325 1971.6918 3884.7189 1465.8195 1201.5429 373.9820 9829.3130 2398.4500 758.0098 1969.4258 225.5682 551.3556 2492.0885 1988.0044 201.4301 4804.2747 666.2278 1229.9817 1505.5294 1896.6242 1897.9649 2631.0908 7752.3040 2166.8314 2237.6976 2441.6752 1862.1543 148.4310 6014.0313 178.7567
9_10_13-TriHOME 18810.4038 5539.7625 474.8656 689.2939 253.9230 1820.8021 2135.6443 5835.4394 3259.8128 5098.7008 4423.9614 11970.2690 7782.4263 8853.3062 2165.8392 2817.1441 3861.7253 3945.5188 1157.2055 4937.0765 4696.6830 10466.9581 4966.8688 1589.8815 4058.1157 1780.6981 122.8419 6229.4280 9963.1216 4778.1619 5563.9827 3249.6027 4166.4860 3326.6813 999.0063 6596.6359 5539.6093 6528.9268 4738.5106 3179.0773 4618.5713 9901.1496 150.5958 3392.7784 3204.1828 3139.5139 5502.6536 1491.8064 3151.0080 2843.4735 3273.4465
9_10-Dihydroergocornine methanesulfonate 3692.2639 2916.2818 3840.2993 3443.8524 4368.7933 3933.7485 3765.7263 7642.5730 3767.9122 3885.7542 4194.6894 206.3251 230.2221 3614.0495 3564.7379 3146.5614 4421.5945 3056.0059 4239.1507 2667.0517 4124.9909 3442.0364 4047.4764 11946.3799 2808.9902 7941.6887 216.9221 1203.1615 3657.2749 4779.1046 2436.2883 3608.2284 8419.7397 651.7384 452.3067 4372.3528 4272.5056 1725.1876 3997.0714 2766.1911 4118.6462 3113.5867 3872.3643 2834.6902 6350.8743 2967.0979 214.3298 3172.8792 3132.3777 228.0264 8667.2409
9_10-Dihydroxystearate 2123.9421 538.9971 629.7383 7537.5364 1270.5805 1821.9640 117.5030 222.4315 796.7256 11826.8255 1476.8361 228.5978 5981.8447 3900.2145 916.8530 1418.3187 374.7115 614.6319 1432.4321 86.9942 102.3664 5132.5015 1559.5684 342.0690 2006.4642 331.5444 1046.5346 291.7586 6265.0371 5350.2385 1272.4852 599.0466 602.5224 1575.5168 1336.7889 1330.2856 1664.9808 315.8262 450.2973 1583.3872 1279.1191 11145.2678 5249.6977 2301.1807 606.3040 537.2948 1521.0954 1404.2005 1172.0735 632.9131 713.3291
9_10-EpOME 6998.3138 1156.8946 147.1567 27608.0233 880.6292 3428.2924 2783.3596 593.8422 886.0317 12926.9494 3514.9319 2765.0724 27043.0503 82086.4185 6915.5047 19961.7722 1519.8740 696.5084 4662.3963 3497.3336 5358.0185 16476.1704 510.3373 477.3837 3587.8993 4810.3266 6576.9432 1652.3692 20247.8192 580.4325 6515.4673 913.0011 3737.4539 1606.8585 1471.5173 1104.0453 1270.1640 963.6929 728.9879 2809.1047 12826.3881 2541.6463 7645.3920 1902.8336 6394.7435 2715.3353 20336.5951 2145.1786 2902.7149 7938.4972 1415.0817
9(10H)-Acridinone_1_4_5-trihydroxy-3_6-dimethoxy-10-methyl- 1184.8314 406.0805 1370.6765 1219.5689 5556.2015 694.0866 1317.0378 1258.8223 1230.6432 4815.4435 2761.8808 936.0801 1222.1385 1956.0738 1394.2838 664.6373 874.5388 1235.0879 1450.2814 1406.3275 1363.1355 226.9409 1176.5361 1000.8943 1096.8470 263.3698 1310.8530 1357.9943 2164.6896 2332.5681 1496.2566 715.9216 190.2374 180.6836 1246.7127 1981.0545 1440.4906 1841.2475 1367.0140 1005.7862 1289.2261 798.6582 1178.4569 741.5177 3020.7963 1955.9556 245.2097 1370.5836 1075.9491 1267.1725 1332.2138
9-(Methylthio)nonanenitrile 2771.3643 1869.4354 600.0107 1376.7314 1915.5044 2078.8132 2793.1192 1483.5202 912.0069 1578.3078 1352.0878 236.7986 2489.0434 5031.5628 4060.8559 2538.0423 2066.0400 238.5435 237.3860 1576.5489 821.5330 2644.2101 2490.4166 528.3499 1933.9436 1838.0161 2016.0008 954.1086 233.5991 1661.6078 2588.0430 960.1081 1437.4258 830.8654 16391.7621 1741.6559 316.5783 225.9565 1143.3649 1028.3634 264.6048 1981.9900 1770.3937 489.2904 3723.9553 3044.2042 3507.1328 14854.7007 1321.8021 233.4132 2771.1155
9(S)_12(S)_13(S)-TriHOME 106039.2831 963.0561 7145.7011 9155.5430 8060.6040 11147.2981 12490.5441 926.5141 12669.5704 2795.7295 1035.0425 71352.3404 38256.0019 46080.8302 11918.1468 14640.1959 1040.8643 809.8022 348.1245 26669.6242 1595.2740 62347.7412 3208.4712 9187.7273 4666.1063 10067.3370 6063.8381 34920.7664 49094.7369 1021.1896 25702.4519 16717.3088 21352.5478 15310.9438 8350.9953 30239.8746 590.0764 33915.4230 4731.7366 4506.8479 1812.9967 54801.7448 4185.1591 2665.1608 1178.6478 15913.4800 24494.4520 10026.7054 932.7139 4488.7717 16235.0434
(9Z_12Z)-(8R)-Hydroxyoctadeca-9_12-dienoic acid 8631.8114 1738.3810 1239.4720 21384.0380 3427.6620 6369.1793 7752.9919 147.3129 1719.2465 20098.8954 438.4737 1759.5397 53384.2024 76043.2158 9997.1044 9674.0884 1380.5346 1331.7664 1689.9131 2709.3543 4199.7075 22776.8988 1072.8867 876.9289 2217.3699 10698.6167 7334.8114 574.6657 33542.3104 293.6830 6156.5296 559.2228 6942.6652 1172.7342 448.5628 798.2341 151.0194 449.6653 684.8276 1728.5830 8429.2886 4254.4942 21615.3818 1580.9092 9189.7749 1160.3714 10257.9834 2057.2362 6318.7716 6370.7079 2620.7539
(+)-Abscisic Acid 458.6042 3293.8381 2218.5606 2966.6619 513.6618 2908.4131 2371.7813 1213.2029 6180.6103 402.7447 3184.9760 2031.7714 2703.1925 3169.3891 3267.9187 2943.8908 2581.7657 2409.8267 3520.3719 2481.0337 3438.5826 3005.5241 3808.2729 23262.9528 3206.7719 3539.9125 2780.6713 1359.3533 4085.9098 3762.3701 4422.7046 490.4725 3434.1510 2541.1737 2671.0947 5136.6039 3591.5590 2070.2076 394.1292 401.6117 3501.5084 2458.6615 3326.5963 2745.8117 1145.4285 382.2239 8402.5404 4225.5047 3914.1629 2931.5410 358.1699
Acetic acid 68783.9429 59773.4558 62020.6931 43587.6250 59410.6943 56936.5655 57601.9001 56016.8845 59393.2520 59341.9474 56830.2218 56605.6113 55304.0539 63578.3348 48780.6040 61208.5354 56097.5817 61376.4128 58481.4022 61988.1286 59390.3215 58706.1855 63077.8985 62272.0452 60885.7057 51700.1203 61538.0311 54916.5126 54205.0459 57346.8781 62885.2142 54091.0048 56570.2913 53670.4061 57206.7964 54911.6796 55226.2404 47978.9752 53208.8282 57472.5855 57067.4606 59736.7491 50426.2582 55118.7828 51806.5654 61415.1390 53453.8408 58306.7927 55650.1621 55354.8024 49614.4353
Acetylsalicylic acid 18490.2379 6277.8003 6851.1948 10018.8019 25635.3602 11128.9317 12887.9644 15907.3598 7187.5359 7823.2873 8979.3527 4480.4982 12261.3278 5405.5336 16757.0126 20495.1650 6376.3841 7929.6693 3644.3109 19917.9889 5653.3891 3595.1583 6572.1943 20524.2846 22971.3262 18863.5917 16092.7769 10052.5247 43831.5362 6336.9660 14907.0104 19242.8939 12266.0285 97527.3250 12061.8447 19217.9235 13250.1586 25772.7089 15311.6013 23397.6571 19917.4695 15928.0578 62865.6928 70153.7168 11966.2839 45971.2527 13092.3063 14241.8162 12091.0523 14921.6010 12341.0359
Acetylvaline 1151.3591 6512.6434 1420.2478 1297.9474 816.0918 687.6822 984.5877 5501.5315 3054.4901 4214.8043 6223.6057 724.3378 197.6233 9999.7879 742.5185 13664.5629 1248.1629 3393.4429 11568.7551 4596.3354 5534.5156 3805.8949 242.8612 1687.7597 1369.4183 5213.7020 4578.4149 6551.6980 2666.9345 4541.9911 3289.6238 880.0926 10631.6897 20366.4498 4703.6495 4628.4489 19501.5065 2430.1304 9269.6554 7697.2847 5213.0847 5352.3044 8041.8856 3333.3617 983.2018 3067.2793 1616.9654 245.9602 17632.0068 5911.3626 1540.8201
Ac-Ser-Asp-Lys-Pro-OH 2335.0788 1375.9813 2349.4237 2468.8795 631.6805 2018.8675 1596.9223 2497.6631 3301.1159 2500.7730 2372.9287 327.5738 1972.1382 7012.4346 1869.1298 2446.9770 1491.4757 467.4259 2503.7099 1195.8169 3899.8625 651.5206 2510.0641 9091.8195 6505.3490 2369.5507 2264.2424 5577.8861 3127.8595 3999.1942 3034.2662 2264.1193 6471.8058 529.2327 604.9112 4055.4028 2651.5495 2845.9063 5404.0053 2845.1829 3634.7200 2494.7381 2296.4268 1891.4894 1255.5545 3269.0805 1998.1059 2067.3769 2665.7240 4345.5854 1811.7514
Actara 1019.9292 450.6234 1119.3422 673.7929 895.8748 1112.3874 920.9115 3602.2493 1112.9232 1368.8616 2466.5896 166.3062 1063.0175 1868.5189 906.2870 1006.2494 1153.9188 2937.5903 1215.3367 1056.0807 1645.3292 151.6354 1028.7023 548.6795 241.0473 592.8786 2126.4964 1203.2080 721.1882 183.6640 1023.7421 1247.7899 1980.9971 1364.0987 573.5730 2435.1797 3073.6114 1433.9006 1840.8255 1520.5748 3463.4130 779.4632 1620.3091 3953.4444 1002.7320 1005.4256 1113.6138 947.9718 1645.4014 2255.7154 932.5551
Acylated phloroglucinol 3569.5102 448.3171 14819.9615 13603.3900 15677.9543 35173.8017 9938.5471 282.3776 115413.3156 10989.4590 188.8724 1458.5318 14723.6227 5252.6351 26587.8334 481.4610 649.7682 10577.6094 113.5765 19734.2286 9362.1663 3056.5870 58308.8701 668.3802 12641.7927 12869.8127 320.6697 3117.6653 165825.1351 12081.7088 205683.8991 1323.0371 202.1936 5974.7339 5271.3473 901.7003 327.5053 12272.7221 869.3172 10826.5321 328.6976 12212.5163 20724.2597 12959.1917 31173.9276 15355.1506 139527.5552 102434.3570 8702.0066 13208.0421 17205.6122
Ac-Yvad-cho 193112.1687 254043.2122 88863.9725 29754.7257 16909.6362 1248.4568 115643.7806 198791.4677 35406.0010 184086.0693 216674.4964 576.3925 193782.2420 341775.0869 29273.4429 1302.9454 29998.0717 32973.6051 282762.4480 3374.1927 216221.7853 272659.6414 1796.3169 209220.5087 160695.5139 96375.9641 111962.5937 320468.7174 43984.1784 58285.5480 41360.9092 11015.6117 212775.3155 3715.0280 2907.5337 43424.2782 268498.0282 95473.0245 188052.0057 201911.0496 236041.8396 309354.2831 9096.9912 175047.7009 26254.2152 28694.0131 258304.2195 4695.1339 21499.1504 111.1747 39376.0501
Adenosine-5^-phosphosulfate 512.6712 575.9311 2841.1152 4282.2246 4071.3400 1285.6635 2238.5873 6753.6706 10800.4136 4648.6083 7106.2474 2548.6238 6188.5630 11043.1193 9141.9436 5390.9845 323.5746 2482.7196 8094.4495 1324.9176 9209.5090 355.2301 5323.8477 12338.8696 3999.2912 7743.8820 4095.2286 11372.5008 256.0686 10559.5546 6982.4459 4613.8338 9438.5607 7578.5670 287.5942 8596.3941 10064.0015 6834.4922 6350.0788 6390.5769 7372.6091 8817.0709 5823.9303 4957.0791 6775.1148 10405.5683 66769.5112 1013.8583 6094.1559 7163.6787 922.7870
Adipic Acid 10035.1280 12556.3285 3602.7965 36807.2762 31248.8758 22123.9326 5142.1258 58470.1534 14829.2002 35439.1986 33653.5106 10228.9976 10584.2510 61520.1143 8058.9464 97116.5896 40719.4321 40402.1088 29348.6215 5181.9284 20855.3179 5335.9897 2908.2120 6170.9902 7732.0398 15940.5156 41981.7383 62037.1099 17544.0657 54724.9881 9529.7571 29109.7626 67933.8610 58622.7192 26941.8382 49712.1783 73966.5508 42909.2769 18815.4425 56523.1894 91113.9248 35290.0720 51386.4004 30433.8893 4205.4827 5983.7341 11002.7274 4495.6345 66026.6958 7720.3871 18505.2292
Adouetine X 7865.6664 8730.5598 8957.1471 9814.5141 10498.9507 11634.6563 11120.2429 9021.1759 9291.3686 8681.9141 7360.2670 10778.0804 7023.3413 4865.2062 12359.5184 10749.9546 9788.3785 9937.8840 5999.0665 10537.8762 8022.9909 6683.7861 11267.9950 7276.4953 8523.3621 8061.5840 9217.1531 5711.8089 9165.2432 9102.5031 8631.4022 10908.3802 7905.1944 10781.3703 10295.6513 9000.4657 6128.6355 8851.4738 7660.1381 8684.1933 8235.2106 6859.4869 8291.0683 8453.8487 10676.8236 9355.1655 6813.5235 11439.7750 8908.9990 10470.6840 10485.2814
Aflatoxin B1 23249.3086 10043.0243 20790.7037 76138.4548 21187.9093 41526.7148 25318.7868 22632.3466 2339.0677 520.9098 10371.7173 15420.5014 20519.3571 13012.4532 23602.5520 24485.8493 17418.8057 2902.5556 29262.3671 26637.7967 22371.0018 25095.7192 28855.8570 29963.4842 10427.4588 32875.7844 11779.2730 30473.8989 31328.4669 331.2319 710.2213 29108.3786 123146.3417 23624.7241 34475.5402 22657.1562 7999.4440 38583.3024 20255.7860 1047.8563 29857.1022 23183.1970 24950.8697 25965.0109 20967.3950 20937.9327 81871.7341 30099.5529 18911.4359 25193.1760 5835.3981
Aflatoxin G2 1596.9323 1804.4851 2899.1072 4451.7067 1012.2332 1931.3057 1639.9022 2829.2128 1767.8655 892.8717 1846.4907 2131.2373 1420.9998 2258.4049 1879.1620 1812.9573 3148.6370 2454.0954 2475.3287 468.7785 2006.8743 2630.0573 1828.2249 3595.6595 2244.6937 2868.2541 217.1006 2168.3514 198.5647 1846.6777 736.7197 1470.2893 2169.0472 1774.1831 4106.8119 204.7770 2006.3325 977.9054 1910.1576 1790.6595 1997.7926 2589.1706 1694.2661 3607.5945 2145.6954 1536.6543 1188.0191 1170.4045 1970.8737 1474.7964 2261.4277
Ajugalactone 2978.9441 3600.5670 3888.8186 3401.8785 3174.5422 3435.1464 2164.2369 1519.3670 3163.9477 4627.0467 2693.0440 3813.6810 2517.8555 258.0495 2744.4641 3754.5149 178.1690 2858.8898 7912.1843 186.8868 1159.0675 185.7099 3280.1799 381.6205 5370.6731 4154.1821 4014.2661 6056.2298 2861.4584 3496.4926 2007.5917 1199.0634 29300.8912 5893.9817 3144.3987 364.4223 3737.4799 3349.4871 746.7451 13988.7669 10499.8454 1734.1171 1654.1325 3310.9274 2308.9362 3462.0438 2979.9359 2980.4465 9476.8538 2835.9395 2386.4344
Ala-Ala-Gln-Asn-Leu 396.4262 1125.8788 886.2726 1578.7897 1028.1774 848.9257 116.8857 1016.9293 847.8317 1903.1460 800.8705 521.9735 1011.7034 710.4718 95.7484 185.0537 750.8038 1755.6969 886.7218 1038.6030 773.4900 1555.1693 518.2845 621.0292 625.2124 1292.5987 1120.0761 503.8715 125.2514 1230.6694 233.9139 632.1353 738.3574 467.1001 1540.0878 918.3173 1165.3767 1453.8171 775.8897 798.8575 91.7692 1058.3954 565.2958 1791.8775 911.7655 1151.2215 786.8227 972.9385 1665.7198 1841.4543 830.5270
Ala-Ala-Pro-Val-chloromethylketone 1584.6964 1195.6688 230.0167 1067.7643 1434.5845 1340.1407 628.3510 796.4516 1189.2763 1037.4758 1073.9270 1905.2783 1234.3599 419.6975 1875.8975 1354.2664 1366.0262 1672.1101 1141.3266 6852.1622 623.0911 1097.5671 1857.2929 266.4250 1257.5719 220.2677 232.7517 1749.7212 1511.1507 185.4864 1687.7935 3534.2051 719.7246 1328.0463 277.3231 217.5724 1242.2419 1295.8493 1802.9076 1052.9448 1206.1783 2970.1247 1318.9307 202.8724 1314.6499 2647.7525 1102.4046 705.6512 172.6500 1036.1833 1498.0995
Ala-Asp-Arg-Arg 143.9908 862.5156 1070.7172 781.5335 648.0206 542.2827 120.8031 803.4219 763.0028 939.4853 554.3527 555.0994 602.8338 564.8277 524.8496 110.8128 546.1376 1500.4167 323.1108 857.6037 610.4531 1573.0858 479.3773 547.1636 168.1669 1115.8878 707.1196 157.6259 555.3813 918.3877 637.8307 154.2454 518.8374 154.2557 1404.1647 506.8043 797.3444 1514.6732 668.1836 593.6731 143.5921 877.8000 113.2871 1348.5126 542.1390 810.4489 671.9409 999.1591 1412.0255 1403.2849 293.3098
Ala-Asp-Ile 610.3147 2172.3651 958.2351 1129.4303 1042.7820 1147.1618 962.8327 338.2490 321.8670 2690.6985 795.7926 1018.7837 991.1907 1273.4838 1074.3556 1018.4209 857.0254 350.7729 673.0572 1004.7283 1209.5080 910.2690 854.1534 427.4240 1276.2264 3221.4677 1024.5181 398.9582 1145.9567 1343.9644 2276.1607 1121.0410 1494.8213 1170.4223 1025.3471 1253.1405 324.0939 1360.7684 1201.9323 504.3354 1236.3871 1136.8538 681.2168 960.1609 1095.3299 1354.3333 1166.4572 686.0389 2860.3377 977.3676 953.0492
Allocholic acid 5242.4665 22576.1518 73.2117 2509.9595 4649.1589 3594.1533 4289.0532 19557.6813 76.7200 37992.4038 36263.3074 6009.2776 4478.8677 10863.9942 183.3827 2170.3880 3210.8484 4783.5684 23162.7903 391.2867 26093.0790 3174.7759 3194.6239 29509.9929 20836.2855 400.8280 5589.0327 73165.3525 290.5480 4693.6516 6411.3608 4602.0199 48319.9811 6312.1912 2380.3192 5571.8810 15638.8849 8871.2093 32234.2921 18862.6606 31002.8098 29857.1727 4994.0497 26938.9640 5144.6751 296.6882 1920.9510 2523.3689 16046.8747 1760.4936 930.6982
Allysine 2428.3882 6405.9985 957.3524 7134.2042 3187.9634 682.3727 743.2108 6211.2389 5401.0370 12905.4731 8444.3642 2002.5027 3469.6206 1910.8557 1830.9892 14661.6208 1581.7456 2083.5710 8262.8837 1672.1512 6924.5948 1533.1580 357.2894 9590.0795 3793.3560 3963.1074 6331.8189 2457.6464 3354.9311 2312.1603 1774.9970 1452.5885 14469.1915 4541.2756 3154.0637 9420.0241 6385.0771 7574.0282 14022.1047 14496.5736 11347.5721 9602.2180 11998.1724 10155.8332 3753.7634 1500.4587 1310.0967 1715.5571 7200.8932 5564.7959 1452.2172
alpha-Muricholic acid 6045.7773 3554.4480 37971.4151 6429.2595 53.0549 48817.1381 102720.3157 2406.4154 34945.7338 134.2040 85.9637 2032.6855 6076.0571 5127.9025 1286.0565 1461.7185 1042.9868 740.0997 304.9654 36684.5782 674.9520 3459.4379 171501.3607 735.8313 85.1114 8158.5881 780.1574 5325.2012 13583.5538 214.2259 86582.9771 2428.4801 242.1636 7131.3700 6274.1158 360.4886 4787.5998 461.8783 402.7442 43.1096 50.9577 328.2805 12888.4657 6682.4678 15257.8215 12868.2127 111768.5625 46349.1932 158.9985 74.6281 8993.0309
Aminodiphenylacetic acid 231.9890 7321.2915 150.5114 69426.0637 13885.7573 34368.0973 7248.3333 14139.9294 947.9327 104082.2149 61784.9777 11281.7720 19086.1353 44820.5886 6764.6490 984.5103 14505.7479 64516.5052 108336.5395 1132.5765 116835.3233 7066.5742 11002.9365 4176.9505 145.2140 13980.6079 37754.4740 2944.2412 232.7222 29037.6263 382.8431 18040.2463 37086.0463 1577.5932 7789.4256 30803.1233 61828.9713 12698.4647 57850.7119 31527.4965 30372.5815 62830.4138 114443.5881 39155.3171 34954.8018 237.9967 32683.4396 5997.7217 59220.0519 40394.6851 14909.3121
Aminoguanidine 1110.1288 212.7630 202.9244 214.1406 1303.4499 1341.9225 1182.5841 1801.1898 546.5514 971.4465 4464.9488 1832.0144 993.2618 2728.0908 1163.4008 1544.4555 1322.4281 1486.9338 961.5890 1519.3114 224.6642 1308.6057 1389.1384 1185.7659 249.6507 265.1791 1118.6450 3466.6712 487.8180 1553.0006 1114.7754 1022.9284 1339.6877 4934.0071 2826.5491 1202.1536 8039.7013 285.1331 2970.8196 236.0684 2163.5426 219.6978 1346.9326 1528.3792 1497.7373 1110.0813 499.8719 1321.0657 1388.6752 1857.9876 1104.5789
Amsacrine 4565.7455 20421.8734 698.0071 22176.9676 1036.2779 507.9925 1084.1585 2592.7265 6974.8481 20154.7449 40583.8886 35425.4494 8247.1878 15526.2247 2515.6602 10713.6084 4534.3773 11422.4532 6499.8593 855.8786 16831.9826 7646.3679 4825.1210 14595.6425 5835.4858 4441.1213 4560.7679 54602.4730 10738.1735 11833.7125 12837.6859 2449.4126 10994.5473 497.2602 1102.9792 3224.7988 56621.1301 6643.7502 9997.5302 1850.4395 15230.8020 14975.7041 14393.9319 30845.5000 1745.0222 7900.1402 12147.7473 6805.9782 821.5482 22405.1489 2905.3618
Anchusin 5492.4848 4748.0136 4250.9145 3990.5010 4487.0898 6604.7135 5455.3461 1034.1810 4150.7142 5614.4707 4156.6549 4973.3435 5601.8884 7544.3516 5549.7571 6796.4347 4273.0877 1146.0277 7858.1934 4368.7942 35387.8433 4957.1349 5312.6105 5234.9381 6079.6125 6315.7990 2797.5917 6493.3615 6007.8657 724.3394 6549.4430 4660.3943 257.3885 5273.7226 4066.7747 3261.5270 7728.8311 3409.7417 3673.6560 3794.6161 9060.9060 245.2254 3485.8591 4477.0797 4623.5823 5984.5872 5986.3908 5251.4084 15301.9749 6551.1238 4514.7472
ANISODAMINE 1544.0923 246.0245 1165.7590 189.3960 218.5564 1291.3396 1338.5678 219.3824 2428.4355 183.4284 995.1337 1107.9627 1613.5221 6781.6754 1428.1563 2161.3642 809.5818 186.6180 185.8793 219.7632 227.6395 1432.5051 1688.3983 1199.1679 2613.6969 1365.8409 789.6347 1619.4341 4241.1796 1095.7629 2058.6324 2440.2224 934.1646 1154.0340 546.4227 873.4338 924.2641 1234.3751 189.2041 525.0011 1164.0169 848.5535 188.9003 856.7134 1077.0730 1607.6672 1915.9201 1423.0040 678.6783 1222.4815 1230.4387
Apocholic acid 218.5468 2164.2183 3274.8759 151.2094 3720.2375 488.6844 2088.6578 2132.6642 5127.7097 1353.2062 25456.4108 2730.3438 1251.0932 976.1284 1739.0004 2454.3360 902.9795 1775.7296 16153.8386 1046.7875 1723.9123 1867.6499 136.3057 2533.9375 26980.1058 4898.9873 1388.5567 11377.0985 20343.4584 197.2572 6068.2611 129.5374 25035.8358 1935.5002 469.8658 1025.3499 5045.4818 3160.7727 14924.1799 11047.5884 3498.3772 9842.8380 3459.9734 2455.6953 2285.3597 5181.9365 18292.9097 5107.2567 298.8664 4477.3714 2218.3498
Ardisianone 1608.4155 6735.0001 2203.8608 8165.0708 6088.2357 11763.7100 882.2711 8720.0215 36302.0361 6852.0048 2380.0441 10368.0479 7880.7066 1154.2391 11707.0172 10063.0995 5049.6906 3828.3022 12221.4314 3366.0767 449.9070 7712.4471 2250.8598 294.0287 9815.2531 1108.9887 3851.7726 3699.5087 65887.9952 8867.1438 36545.1944 11277.2757 5537.2075 2954.7531 6529.0717 536.1657 6373.3335 9067.9829 1942.0161 6139.7565 267.9533 6136.5324 6286.6292 5124.0691 9284.2403 979.5592 48895.5735 35150.2682 506.3390 137.2943 10754.4091
Arg-Asn-Gln-Glu 847.9711 505.5149 5107.6148 13518.8066 4750.3661 23526.5480 12602.2413 5250.6119 3177.4657 5740.6465 358.5203 4501.8155 11160.5032 29101.0510 6344.6430 34349.3003 706.2161 8510.7288 7261.0423 8039.0637 28225.4655 18600.7017 8989.1213 17410.6790 2148.1220 4852.4605 142.0250 15966.7145 12852.3045 222553.9641 2423.2381 1540.5003 701.5745 1687.9606 4258.6940 5142.4275 24014.8240 8387.8554 2763.8853 6688.0865 24500.9043 35333.9516 7658.6977 10972.6624 7813.6619 17896.9131 8008.0650 10656.2366 802.9010 4164.0118 9312.8958
Arg-Glu-Asp-Arg 223.9056 2419.8550 618.7712 1635.8432 733.5442 638.4110 388.3138 595.0916 717.2277 1869.4653 851.8951 842.3454 1758.9101 2257.4308 785.4964 1164.1728 754.2999 771.4141 138.3633 178.3373 1502.8377 1053.3564 542.4455 850.3825 772.7469 1000.2554 401.4489 1004.4928 1151.3425 920.4804 743.0013 215.7008 727.1890 807.3287 146.9945 854.7087 903.2517 658.1750 237.9879 1082.5538 751.6232 474.2927 2115.8144 989.5154 1801.3236 1076.4007 1714.9123 715.0877 811.4255 820.5498 165.2796
Arg-Gly-Glu-Val-Leu 3069.3446 2823.1780 3241.5650 1293.3188 3876.7116 4716.0113 4412.2747 3269.1148 3151.6529 2604.8805 3273.7909 3547.7832 4520.8670 3322.4316 3619.0017 4094.7004 4176.3731 3150.9135 2192.9876 4291.9494 2761.7529 3415.3763 4213.2928 4395.2864 3755.5995 2933.5506 3046.4840 3385.2453 3183.8855 2784.8401 4383.9410 3811.1131 3260.6699 3649.9804 3298.3293 3238.1535 2022.9672 3468.6322 3062.5752 3431.1246 3562.5194 3194.1627 3225.5004 3774.3607 4365.0593 4187.2505 3205.6026 3773.7510 2568.7874 3810.1970 3948.8889
Arg-Met-Lys 2308.3222 7637.6666 2328.2132 3754.1933 654.2829 3073.9027 2128.1546 1103.7441 3092.1481 4612.5822 1584.6284 1690.9068 154.5085 4011.9633 2390.3424 2681.5143 2104.6810 1565.7201 5558.7684 1711.1421 6267.3418 1433.2207 2210.8637 5162.7739 1533.3640 1768.9815 1539.6476 2558.8451 2756.0661 10450.8984 3189.5479 2404.6417 6641.6819 2223.9378 3149.1264 5223.6744 5236.9935 2064.9806 7872.6971 2340.1489 3394.7124 6596.8277 1787.8589 472.6262 1967.0997 2462.5808 2695.8486 2366.4065 6481.3789 2760.9332 1998.6985
Asiatic acid 1955.9624 25801.3010 6725.2794 769.6396 31054.6106 996.0609 9220.4489 33544.3349 880.1642 6314.2389 8772.9669 1928.2082 102.4844 13743.6972 877.0566 20973.8045 2019.6083 10877.0177 2940.4691 13123.4769 5685.4905 10254.4691 104.6367 3048.9669 553.5565 604.2114 11129.1590 587.5538 9844.2032 28323.7817 14235.7592 8328.9428 614.4073 1211.9618 9503.8100 13377.3041 8718.6312 16762.3648 45397.8313 30958.1507 213379.5823 24688.8056 744.7399 1579.6965 11905.6102 9279.0005 9026.9814 11190.7725 2055.0525 11003.6414 22403.7841
Asn-Asp-Glu-Arg 2375.1363 3425.1575 1609.2829 6058.3296 8686.3733 6954.2823 7868.3175 3540.7927 8702.4251 3024.5655 5773.2166 233.1130 9598.4670 15519.9372 5657.9920 6068.3245 5721.9639 5555.1417 1142.4512 4548.5362 9212.6333 5571.6410 403.7647 10452.5273 201.9779 10365.1871 4981.3628 15212.7532 8589.1628 3385.7383 7992.7688 5259.2248 30821.1687 6875.3910 10875.2068 2133.2884 21761.1184 2213.4845 823.0300 4469.2759 4342.8137 6438.1366 5860.2068 14526.4973 6469.5549 1542.8781 4581.7060 7035.0914 409.9331 8015.1288 5563.0205
Asn-Glu-Ile 5756.4013 6809.1091 365.8692 594.3731 4498.7016 8158.3657 5934.6865 5158.7615 4406.7877 8357.0950 6566.6032 35082.6211 4498.5180 878.4735 5676.8396 11804.6542 142.1506 4895.6036 3978.2095 6769.4212 890.2867 487.4249 6784.1698 5682.3447 5872.7902 171.7799 4874.2024 16841.8210 3229.5749 4966.2659 3608.4257 6006.5233 6141.1040 1069.1642 3916.4643 331.4399 3516.6112 2853.2431 11490.7072 1243.9855 16287.8475 2156.4970 3604.7424 4955.2113 651.5096 15652.7402 1016.6363 6241.3868 2824.6140 1884.1303 3924.4231
Asn-His-OH 2997.5743 1940.4678 1406.1657 1745.4541 1394.7153 1565.8851 263.3467 1136.1373 345.9883 1950.3418 1664.4867 1468.0561 1532.7168 2043.4217 624.4696 2076.1845 1349.4764 1422.4001 1638.4507 3675.4265 1738.0667 1778.0167 324.6204 3039.9788 3016.5605 3340.4212 765.6053 1808.8897 4796.9920 1558.1250 1808.5774 4262.9906 980.4300 1757.6072 308.9734 2058.8066 1716.0183 1944.0850 1766.1195 1574.1791 1453.7341 1322.5258 1329.8556 1981.8727 1528.0001 1927.3140 1429.7365 4027.0101 1526.0246 1370.8075 1201.8480
Asn-Pro-Asp 385.4896 360.1660 1252.3645 775.4724 3666.6837 520.1549 1578.0749 1193.2063 1678.5471 2750.1584 1241.8404 1085.5641 2323.0946 2257.0583 953.2063 2027.3879 1682.8368 1357.5230 1201.0758 2709.4292 1278.6084 1751.7374 1508.1293 379.5062 622.2605 1229.8021 1029.6473 1895.5688 1968.6969 1567.9270 1509.2605 1701.4697 1188.4696 3355.9366 1717.0151 1226.8128 1381.4940 1386.0945 1002.8466 1216.7251 1380.5923 1362.4200 1808.1212 2316.5233 3231.1451 3511.1521 2186.5942 2548.6802 1184.6015 1813.9725 1769.4082
Asn-Thr-Gln-Glu 2309.9310 2077.1631 5702.8325 960.5676 2451.1336 1334.1888 1719.8145 1623.1622 715.8430 1420.3628 2414.3287 1451.8907 1621.5871 3146.2207 91.4841 144.6127 1615.7456 1483.5249 2041.2312 1389.1408 1410.5894 1462.8169 1551.4664 2902.2889 3232.2892 2680.2271 1129.9796 3504.5264 2046.5563 900.4889 1346.9655 854.0097 2744.5186 1509.3213 4765.5743 1335.9804 1604.3716 2075.8491 2192.7033 2074.2769 1682.5984 1911.3350 914.8870 1742.1008 79.7169 1876.2453 1446.1482 743.4424 1159.9976 926.1264 1488.0273
Asparagusic acid syn-S-oxide 1319.3712 383.5546 1297.9075 1714.8184 1262.9586 1373.0513 1309.8963 1311.6838 852.0939 2071.1355 950.8070 1351.5535 843.2508 1477.6158 1393.3037 1615.8467 1256.7180 1119.7865 2029.3666 1437.1755 3229.0411 315.8723 1233.9926 2817.1206 2374.5721 1346.1291 753.2681 1620.4456 1737.0946 1356.3579 2376.7979 1358.9046 1974.3952 1647.9774 1241.4741 565.9984 1939.5868 693.3484 1651.2736 1766.0390 1460.7788 2718.0626 2076.4031 1458.4801 1461.7058 2745.2128 2005.1929 1336.5050 463.6557 1666.5006 1161.1181
Asp-Asp-Glu 2268.6602 2406.4212 2295.5071 5344.8535 2416.7831 2353.2315 2091.4413 1698.5442 2400.5475 1286.3770 1996.2041 5503.2290 2326.7600 5251.2679 154.3137 2485.1076 344.9700 2048.6807 4490.6158 2070.1413 1911.5709 126.4087 2490.5144 430.9732 1267.9686 3181.4667 4387.4937 9099.9261 2703.1164 3936.6414 110.7677 2075.1694 1943.0691 2750.8573 2293.8081 3565.5839 9205.4384 1073.2701 1240.5399 1929.0178 5855.2501 448.7902 5733.1608 5360.2903 2314.4145 2894.9174 2524.9420 2466.9489 6357.1865 5348.7591 2478.1000
Asp-Gly-Lys 1732.4132 440.6933 1515.6737 98.3913 317.7961 2502.7863 324.6908 228.6958 871.4522 3443.8335 2954.2546 4869.2601 400.0540 5408.4081 2314.7537 6095.2468 1377.7145 2878.5198 723.6920 2433.7606 1301.9475 2625.0787 932.8252 359.2487 94.4997 1368.5343 413.3638 4623.9955 842.9705 3689.8971 9163.3112 6411.9706 874.3187 2193.6138 696.2510 680.7255 2098.3230 3258.6796 1827.5907 1663.3492 840.9191 8285.3166 415.1178 94.4879 195.3463 5081.3313 3221.8249 997.6832 632.5761 1121.3855 609.3978
Asp-Phe-Ser-Arg 87796.0653 161317.6099 35883.0162 145481.0795 110047.7551 209264.0000 79044.8906 9067.6936 23983.7995 169018.5054 97156.6396 71821.7109 78425.3442 142374.8152 73221.4709 123867.8524 61535.6083 448382.9553 18897.7404 5636.7986 97340.1339 100936.2353 96424.0461 100732.7814 91791.6229 23308.8039 71323.2633 46012.4256 99410.7883 253948.5218 120892.1465 84300.9577 130126.7162 27377.8106 25270.8390 65835.6806 191380.9987 133083.6019 7032.4596 3101.1844 135946.7914 770710.5590 102686.4262 77107.6212 2021.6367 97969.1171 86590.7306 75618.7460 5068.7114 90099.1311 46769.3667
Asp-Tyr-Ile-Glu 3381.7267 4153.1584 2851.1450 1982.4173 1991.6588 3291.7380 5715.7507 3773.8727 2332.9976 3065.8951 2977.8459 1158.7036 3751.2117 4317.8704 722.9374 1248.7669 2158.5539 1679.2885 3385.4138 1624.9752 3264.2157 3793.7358 3045.4811 3725.3832 3038.9099 2930.7938 2777.3310 4680.7326 1086.8347 2212.1534 2552.9715 2603.2476 3484.4472 1634.3351 1504.7594 2055.8501 3429.7434 2394.0058 3141.6850 3313.0244 3847.2244 4104.3849 1485.3168 3649.0934 774.2231 2061.8139 3868.7073 1684.9117 1599.7439 640.0009 3054.3592
Atipamezole hydrochloride 2019.8712 2668.2912 1836.7850 3015.6586 1384.5015 527.4894 2329.4923 3487.5740 2046.0317 1424.6675 1297.9610 854.2003 545.5527 1098.6124 1360.9677 1416.1941 212.0140 1013.5871 2918.0737 179.5217 957.6048 1398.2387 2215.7965 1492.0773 2567.5577 217.2145 1311.1288 2262.9004 2135.7151 762.4066 632.5922 1356.4602 1934.0154 1076.9544 1776.0512 4150.2696 1400.0464 1414.0062 403.8947 582.8271 816.3527 1327.3121 491.0727 1021.7833 1264.5658 1465.3491 1690.2730 1491.4898 309.6482 872.8580 713.9328
Atrolactic acid 124987.6327 5373.4696 40744.2873 786.1248 57393.5898 636710.9511 90386.5387 35658.9928 96668.9975 6628.6676 113.0084 280205.7281 144067.9305 254.8908 91791.0734 4696.0945 285.5256 80921.5474 14352.3543 442803.4454 35398.5355 3056.7756 867.2234 157.0749 251826.5066 4929.8411 2719.4380 10687.6830 58294.1882 19760.3974 356395.3200 1420.2060 1469.5984 139406.1009 118877.0664 116.2759 1156.7915 498.5190 117.3641 151.3993 1956.2436 43462.7398 62882.3936 1092.5122 11087.1518 158643.4320 376591.9968 231145.6263 1815.4756 23001.2346 243530.8168
Austalide I 7542.2720 14600.8788 9701.7272 11575.7215 7582.2456 2384.8945 7651.1338 3664.8209 32601.9697 979.5356 13431.5113 1441.7961 21226.0287 124060.7558 11977.2228 4850.9482 6739.9772 10027.8384 18167.3069 5007.3575 1175.2264 1578.2786 1582.1547 12392.0234 12875.0486 54118.5363 11425.8840 35478.3882 17229.5776 1516.1570 15604.4361 7637.5494 1902.9737 13880.4240 13512.6653 10409.9194 19723.5994 34232.1936 11085.8086 15928.9906 3526.0299 15196.3680 16529.3367 11839.1190 1931.4051 9980.7761 40224.1923 4339.0427 13130.8092 12378.4793 2703.5968
Azelaic acid 147.9054 933.0863 412.0437 828.1334 284.3757 533.3519 366.8431 376.8497 162.0134 942.8869 630.0330 318.0098 583.4469 790.9713 280.3700 139.1006 275.7407 132.6915 1089.2586 345.7768 2420.7710 1063.5824 298.0242 410.3744 137.3890 475.9300 1038.2684 894.7681 642.5390 313.8550 717.7210 464.9036 922.6247 570.6560 509.0571 750.4791 751.2210 154.7219 1290.8773 1461.0003 4745.4768 695.2446 1298.3432 972.2207 134.6595 487.4452 153.6773 453.7658 1987.0321 503.6631 449.8206
Benazepril hydrochloride 1053.5775 2193.4923 2305.6826 2354.4891 2167.7993 1128.1272 2066.5593 536.6641 5095.5438 1082.8416 2032.7488 2216.8503 1351.4425 8004.3586 1754.3481 1816.4793 2133.9639 1855.9742 2929.3813 1970.9657 2369.2272 2494.4476 2286.8118 3636.4873 197.1194 1037.3166 2054.5925 3004.6614 3745.8619 4399.9920 3521.1412 980.3990 2714.2690 3048.0754 209.2013 8049.1896 1709.4592 3460.2206 212.5561 2020.8946 589.3595 1397.7100 2621.8148 1091.2501 2220.0948 2766.5587 2202.0638 2244.0606 2171.0184 3875.7801 1861.7538
Bendiocarb 1130.1627 345.4650 124.2833 1186.8802 710.9739 1975.7783 734.5531 1730.8799 1431.8839 879.2464 568.0919 426.6036 386.9644 451.5996 254.6888 132.8213 366.1511 423.7826 757.0057 3302.5102 1602.2996 1249.2276 4839.2348 3158.7523 774.4051 1034.3891 119.0920 1253.6425 1214.5675 533.1143 723.4679 1846.6559 2697.3206 6893.9827 1087.4226 1919.1733 115.9686 1865.1591 972.0186 1121.2231 593.7459 461.1096 1710.0309 817.6839 1076.8959 732.8623 140.7555 2710.4630 251.7191 1058.5040 1502.1135
Benzhydrol 14551.6469 14851.8806 13863.6276 14765.8719 15097.9265 14138.0314 14492.0924 15008.8663 15873.3104 16452.1293 15439.1263 13989.4608 15142.7248 15980.3472 16093.4422 13771.4356 14720.0839 13296.3637 14461.5045 15157.9389 14800.9414 15652.0290 16041.7593 15789.7639 15512.8939 16466.6091 15665.8975 15543.0634 15102.7967 15739.6285 15747.7713 15642.7332 13982.6063 15076.0281 16087.8263 15491.2563 15422.6641 16196.6667 15360.8627 15406.7768 14946.9571 16005.5073 16363.2290 16410.8202 16370.9578 16270.1315 14658.6783 15903.6271 14251.2266 12443.6397 15211.1225
Benzofuran 1586.6277 676.4594 1724.1813 123.0633 1966.8169 1635.6530 678.6689 1092.1467 3422.5482 1438.9613 1930.7693 1130.4700 1780.6664 2941.9558 567.2937 595.4907 2987.1966 1568.5451 2179.8547 1704.8907 2033.7364 1692.8219 1638.9043 2479.7791 1565.6936 1674.7527 1699.0039 628.9696 1696.0199 1976.8579 1756.7772 768.5197 515.6818 2249.0066 1574.3088 1127.7006 3587.0632 1651.7061 2545.9437 1667.5124 1798.9071 1880.2886 3043.1768 1726.8554 3756.4047 1954.8340 1993.0298 371.0525 2283.7796 2691.0636 3567.7817
Benzoic Acid 11357.5722 162.1097 3416.2318 100.4769 75.8896 3857.5281 3529.6190 70.6423 2430.2882 136.9025 29.3982 1419.0650 9583.1991 29.3539 3834.8231 3646.1399 64.1846 58.5129 33.6412 1563.7312 515.5884 37.8717 568.7982 137.3171 36.2612 30.6718 4474.1275 67.9005 222.5472 30.3687 6154.0808 29.7074 28.0415 28.6321 5056.7864 1216.5520 29.6527 83.4585 27.8412 1377.9882 98.9605 73.4646 2125.9813 61.6182 5732.8464 5149.1178 2807.4848 13989.6989 64.6722 66.7526 4561.3120
Benzoylagmatine 721.1462 867.9414 586.9666 427.5401 92.1589 632.5341 613.3719 1211.3549 776.9628 623.2947 1325.4132 100.6673 593.7914 396.5889 584.1658 1263.3991 449.4887 642.9180 891.7173 275.1991 975.0164 98.2733 608.0607 628.1298 686.0179 983.7784 628.4871 1541.5591 420.6999 1186.9532 721.5058 507.5625 1283.2452 654.8107 490.0096 1709.8943 1225.5578 1141.4143 528.8233 135.6683 1946.8629 446.7454 970.0971 583.6269 520.2003 549.8308 647.7279 617.9422 771.6969 460.1019 566.1909
Benzoyl chloride 203434.9854 222070.7023 146049.8602 231792.5920 223747.9464 233825.2177 235429.2418 192878.8744 232741.6246 227201.8591 233831.1775 205280.2443 212795.3834 244763.8785 205771.7478 225020.1780 205819.4344 235974.4089 190333.3342 202849.5544 235188.1581 224775.8557 227006.1324 217901.0280 228499.2541 273993.6621 229889.2623 238017.2958 240031.5054 226206.0632 229942.4582 153666.1688 226867.0596 229362.6098 228390.4186 244320.6084 215682.4316 219725.7756 210419.0888 202535.8795 198025.6356 229978.2973 223034.7136 219997.7166 226243.9875 202933.7720 219796.6198 221855.6407 241189.2763 260620.0400 228667.5836
beta-Alanine_N-[2-[(3-hexylphenyl)amino]-2-oxoethyl]- 27177.2021 33515.6345 25159.1622 648.4480 16488.1293 23033.3193 19254.5100 24070.5987 20282.1642 60624.1600 25068.9553 8344.2991 21818.7561 30321.6955 27708.2873 28790.8525 27060.9130 12470.1959 43870.7661 23245.3403 50619.3608 18138.8012 18689.5092 8003.8335 9873.9871 26963.8997 32124.3330 1463.3843 26580.6329 40462.5244 29671.1352 18411.3533 30904.6726 7296.4286 21780.3316 5796.6303 65623.3689 25716.8899 103868.2460 51786.6655 84595.1478 1377.9401 108360.9445 80700.0069 30951.9094 23057.0122 26972.3164 16836.9005 1932.2453 6947.6062 22219.5132
Bis(2-butoxyethyl) phthalate 5198.3579 3868.4849 3689.7476 4793.0204 4775.5407 3970.9996 3902.2436 3392.7144 754.2573 1096.5292 14215.8488 3904.3900 1421.7476 5621.6461 3686.3834 1437.5505 5258.8805 2724.7372 147.5837 4331.3832 471.3662 34212.9148 5620.2824 2662.3739 4872.5045 163.7982 975.3853 1441.7280 3134.0071 9865.2221 3240.4957 1024.2416 3699.7076 198.3998 2628.9880 2657.3546 200.9671 709.1787 373.3474 175.0121 6461.6138 497.8528 2624.3214 420.4120 3528.4825 3922.5240 2152.0742 1233.0034 531.0460 3966.6004 2863.9885
Bis(2-ethylhexyl) phthalate 2460.4263 3952.3514 1756.4007 1329.9832 2916.7434 1380.2481 1506.8822 2320.2481 1314.9080 1944.8511 11414.1891 2298.8681 2264.2677 1496.1356 1209.3053 2086.4784 763.8011 2751.8525 8199.2315 1124.2350 2888.0188 2918.0174 1632.2256 3599.1350 17043.1138 1983.5535 1343.4883 3052.8990 549.4226 772.0726 1711.1335 303.9746 16786.7132 2198.3922 1297.1518 1851.7215 4045.1153 3576.7620 8418.8471 6741.9989 4292.3294 6169.8125 139.0122 3174.1896 1854.8549 1677.8327 1354.5179 521.0345 1179.3609 526.0917 122.8674
Bis(4-fluorophenyl)methanone 1617.5751 1585.7751 1306.6976 2863.9858 981.9869 223.2811 414.3279 1998.3741 1549.8643 1945.6371 1914.6469 815.5320 1457.7356 1628.9542 342.4194 1971.1024 2990.9487 2142.7948 989.8992 1413.5412 1419.3985 2212.2121 1304.7841 2554.6220 3729.9358 2077.4790 867.1125 2793.0113 2738.0947 1218.6951 2059.1725 2071.0776 1539.8873 2065.0638 3421.8810 1846.9446 1380.1062 1195.8621 1419.9025 1352.1386 1173.4359 1235.6085 1614.2305 2713.2020 447.5941 1796.4177 2249.4097 606.1930 1484.0623 2696.7367 1376.6392
Bis-D-fructose 2^_1:2_1^-dianhydride 1819.4561 2459.3821 4234.7941 289.3627 5003.2461 4182.5032 2213.9900 1110.7886 753.3381 5424.3843 884.1422 8339.8593 1677.3479 409.9361 87.8102 1487.3164 2454.4225 5571.8414 735.0844 5163.7794 3029.9799 732.6310 838.0361 2828.6124 1404.8356 2091.7448 1027.2002 12654.6081 5821.3028 7456.4480 6539.1616 1959.6920 1369.1024 173.3741 1542.6080 1211.8441 4708.4076 5244.0827 6736.2339 2244.1063 773.7934 15153.7920 593.2913 196.0559 675.2738 6549.4129 2002.4659 5367.2227 2999.7395 1538.2710 570.8723
Bisphenol A glycidylmethacrylate 903.4822 16038.6588 12518.0259 12378.2807 5861.0252 24774.0451 14586.8219 16863.4424 26581.9645 12054.2840 16433.5093 13575.5713 6492.2818 36242.7683 13957.0318 7635.9736 10828.6873 14505.5329 17747.1506 12107.1302 14389.4824 15579.1936 14127.6562 7586.7239 1094.6652 31105.4605 12782.4629 29629.4803 87251.0271 587.1362 596.6123 585.9755 14211.6505 403.5919 6472.4872 10797.2782 18734.2000 1160.8176 15913.7821 11053.3271 19740.8627 1741.6196 10316.6308 8626.9831 159.7427 26904.5324 25333.2542 19006.6846 13555.7218 17170.8940 2670.3560
Boc-DArg-Gly-Arg-CHO 4468.6591 5755.2118 36389.0150 8139.7580 16174.9113 80649.9812 169962.6401 312.2744 57451.2084 349.8523 489.5949 4139.0600 531.4666 96.3716 196.0637 23682.5506 581.2314 908.7581 229.4713 23227.8995 869.8625 312.0283 67090.7902 294.5242 220.0318 2429.3470 1175.5058 590.4008 86099.7982 394.1333 131814.1305 5183.8432 993.5682 28.9632 188.7164 460.6488 123.0654 5777.9113 298.7188 249.3488 1506.2278 340.4559 13997.3250 8218.8489 22471.1586 24844.3183 145625.9182 42886.4400 115.2693 11163.7980 5389.1321
Brimonidine 1343.6318 2028.6887 956.7555 1320.0770 995.0933 1227.9218 1078.5347 2960.8057 1497.8430 689.8335 540.8942 593.5220 156.3357 1594.9284 1073.3475 1122.7147 1687.5193 315.6418 368.9336 864.1112 554.7422 1009.6217 1291.0789 1424.0202 1303.6232 1523.4392 2392.8702 1700.8723 1353.7628 203.2475 1086.0773 1196.1983 1029.8788 159.1286 1331.6456 2421.4825 3812.4333 210.9047 3503.8931 2879.1304 6395.4160 1624.7145 1826.1323 1775.5863 869.3729 1204.5380 837.1760 1163.2060 1072.5040 1529.5697 180.5104
Bromodeoxyuridine (BrdU) 223424.8140 34777.8285 30848.8366 26904.0646 9554.7928 141421.1810 34184.5606 259187.1757 18317.4202 31007.8641 14158.1176 76195.7634 795.3437 152935.3395 1353.3360 39604.2592 7948.4697 3806.5155 13154.8147 35637.1606 38499.9083 5372.4499 28159.1273 51062.1905 5062.4938 268979.7751 4381.5708 29439.8415 119190.7190 39999.8062 46832.8538 118151.7163 38158.8916 28428.8914 20465.2889 12926.3241 47363.5522 36323.9161 37713.7616 721.6533 62384.7986 40694.1202 23076.4075 18562.1190 4362.1630 39944.4006 27048.3469 12394.8806 7345.1444 79627.4686 29897.2064
Bromothymol blue 85.1542 342.9123 634.4681 500.4517 1063.9359 497.2130 515.1178 469.8939 709.7838 442.7873 378.9850 435.6201 820.8231 405.3912 535.1945 556.3045 434.6795 702.2212 410.8883 537.6717 412.5577 264.6706 188.0783 468.6515 489.1378 439.3653 243.7331 184.7415 479.9551 78.5869 445.9385 860.6625 370.6251 562.1518 775.4261 463.9996 414.5015 479.6120 396.1587 440.2216 373.3918 441.6292 484.9329 81.1695 742.8344 499.2278 452.7940 537.7406 600.4718 487.3548 187.3357
Bropirimine 2055.1060 2093.9224 311.4621 1864.5372 605.8422 1476.6079 1882.1573 1046.1948 1813.2737 1915.7623 799.2130 1892.7362 1486.7076 1018.4339 1517.9344 1001.4748 1643.2638 2086.9790 2353.5859 1717.9437 232.2621 1605.3381 1511.1898 1533.1019 3973.2426 1125.0236 2119.1827 2838.6458 2438.2605 2057.6198 5068.3904 4661.9548 4224.5989 1826.5163 1959.4080 4077.0806 3238.5642 3475.6679 3085.0519 4914.6527 3750.5085 4442.9335 3337.7588 5423.8624 225.4757 1731.0036 2300.0429 1377.3126 2135.5124 4489.5075 2759.3225
Bufotalin 4462.8463 135323.1694 2394.5169 985.3794 111.5382 4183.7923 3230.4282 3759.6834 17096.7802 988.5306 3778.0132 1003.1950 3532.0206 13659.7064 1634.7139 2201.7956 1489.9635 10461.8385 4261.9172 2064.6892 7118.1387 1599.8559 322.4213 7855.2313 646.5468 4127.1070 4936.6422 10492.1109 1792.4658 1130.3746 2851.3384 3671.1636 5408.8598 5143.9373 3543.0412 1105.1182 11558.1468 6661.5931 957.4648 956.5571 119.8426 780.5084 15507.5241 1349.7482 704.8131 3041.7301 4350.9967 1858.7152 22273.6464 7600.4286 2076.1763
Buprenorphine 567.4773 8955.8817 5868.2154 5875.7322 1539.0525 1204.6137 414.1016 2474.5064 1885.9627 1179.0892 2847.4856 86.4046 1520.9414 589.4350 709.8094 2039.8557 4388.8032 9715.5304 5979.2565 774.9935 379.3149 6862.3064 1597.7574 2290.4360 832.1483 3202.5207 8773.8374 5142.0382 581.9407 2780.8907 1266.4800 1677.3985 155.4410 1973.3369 5293.0866 2510.9997 11460.8941 5977.3781 4104.7211 2938.9403 1045.3791 3938.2094 873.0079 6502.2548 396.0331 2052.1311 1450.5609 1595.6561 10322.7538 6071.0968 1755.4233
butanedioate 1990.4296 1863.9654 351.7065 827.7620 2614.8556 265.4847 507.1564 3446.6561 4136.6011 3217.9426 2025.1126 1044.8548 2310.9931 1306.3519 2106.2845 5553.1042 1806.6907 1443.6040 2781.2907 813.8410 577.6783 1057.7221 92152.3627 8991.6552 2004.4519 3514.6877 2651.0126 1863.7952 6249.1847 1037.5497 1724.0495 1117.6821 1491.4479 1848.0153 2613.8257 2716.7817 1758.8019 4091.1936 2688.4246 2477.2342 3831.4807 3863.7315 4517.5476 2793.2862 1094.8564 3119.1930 2465.0735 8273.6276 2456.4504 3023.1019 1442.7918
Butylalphaman 5130.8502 1650.7896 3657.3811 2714.2743 3555.9707 4376.5186 5698.5976 5112.1743 4166.0767 1998.6591 5152.3120 2625.7852 5460.1755 8010.7173 5925.0847 6166.1620 3188.7760 4465.5196 6509.7966 4870.6135 40095.9850 6030.4543 6196.9145 4866.7665 5720.9953 5146.6532 6447.1774 5281.3669 6133.5120 1208.5086 9136.3366 5481.0767 6701.1584 5505.2394 4876.6024 3583.9438 2096.3426 4106.8698 7579.1736 9221.2906 6094.3351 9562.9825 5760.9120 1305.7371 5992.0294 6540.4742 6481.1397 4831.5787 37527.9696 1016.1609 611.6463
Byssochlamic acid 2610.6628 3959.8510 376.9022 11004.3111 2549.2320 2773.4052 98.2629 4647.4082 114.6424 2466.6825 9602.9135 4904.8436 306.6145 5663.6231 274.7502 4351.8923 1584.1369 1838.1804 6550.8935 1717.0767 6283.8300 649.5608 1818.3691 3461.0326 2132.9289 1707.2427 1375.9392 17301.0289 3799.1347 15591.9047 3417.5394 98.8542 2369.1470 3137.8387 2878.1583 4653.4648 10095.3196 922.7972 10078.8795 1313.8949 14970.5662 2044.5285 5103.4990 5825.1576 1455.8510 3200.7316 2141.1573 2537.0613 1905.2165 5871.7944 114.3350
Cabergoline 2362.8966 419.1227 2892.3675 232.0219 2689.7484 3866.6223 3696.8400 211.8574 8680.7717 3645.4745 8452.3382 3076.7962 2490.5568 11699.6837 3276.1496 2572.5197 2379.2239 2023.9973 2215.1823 2724.8868 375.2706 609.1965 3211.0858 14953.0829 632.8078 3233.2295 1872.0682 468.1283 5025.2573 6289.0727 3667.6913 2941.5037 2269.8208 1980.9532 2332.2102 2341.7150 5232.3310 3553.5154 13182.7125 398.4447 6243.8741 199.5371 205.0504 1238.7212 3329.8733 4204.6186 5005.1808 4880.0849 404.7899 4092.5604 2773.0494
Cabozantinib (XL184_BMS-907351) 658.4911 811.3339 422.5040 542.7244 164.9471 400.0333 422.8502 859.3800 472.6432 1325.9200 1148.8805 408.8395 660.5648 1102.3153 345.6895 435.1665 343.6321 399.8435 915.6600 363.2162 1144.0768 869.6798 368.3960 1309.6964 420.6122 448.2127 226.0006 1838.8011 506.7155 658.5230 497.2396 363.0050 1426.6740 211.3001 347.9049 168.8941 1037.0824 173.9937 1447.0891 579.5461 1452.2879 1270.6633 508.8052 595.8790 164.7496 399.2814 801.9570 326.3330 422.0095 433.6014 323.8487
Caffeic acid 3-glucoside 16169.7302 21577.6571 20723.2820 21931.3640 20432.7571 19208.1165 22911.0998 20398.9817 19252.8897 17781.4647 17472.8472 17863.2637 17138.5164 18991.8244 22699.8606 21080.3652 10950.8203 18076.2332 15520.0937 16608.9868 12412.4269 21324.9017 19563.1682 16351.2737 16686.8337 15752.5327 21862.6508 15161.5004 16360.2714 18998.1754 18359.8856 16901.4820 15911.4364 12606.1215 16277.0259 20645.6603 17107.4170 16268.2213 18365.2092 16535.7962 21196.0314 17392.6753 19948.8673 20571.5261 24876.1511 16479.9905 15836.8234 8745.6528 23743.9428 20459.7101 17071.6354
Calcium carbimide 12328.4042 20609.7078 10718.0987 21499.1521 13053.0190 11171.2404 13808.5679 14667.4736 12601.9746 17091.9726 11832.1332 12632.6035 20845.1524 18808.9720 12882.1402 20228.3144 11712.5997 13077.8309 12859.8939 11912.4606 8490.7978 17827.6313 14135.5552 10108.2319 13093.0561 15255.3746 12896.0897 12326.7039 19117.0155 11768.0270 12327.1570 11630.5878 12338.3312 10869.2879 12293.0340 11945.2248 11324.4079 10216.9373 10734.0651 11530.6144 14119.9746 12221.2208 13392.0550 11482.0270 11365.4943 13743.8504 14420.3472 11201.7327 11847.1534 11518.3975 11430.3102
Calcium Dobesilate 171.8083 354.2658 446.3068 191.7903 396.5413 96.5580 395.8272 208.2399 80.4020 247.1997 125.1211 76.3776 246.7890 175.9582 335.9464 533.8611 106.1745 300.3329 279.3035 386.6146 433.1715 430.1623 271.5433 78.7273 227.6233 104.4534 209.0213 184.8996 185.1222 240.5164 386.1581 170.9358 116.5410 289.1726 353.9172 315.1672 94.4063 180.1533 97.9748 323.9599 175.6648 216.7347 162.5185 231.3905 295.8920 371.1800 82.1393 206.4119 87.6731 110.5586 362.9861
Camphoric acid 9187.1214 10772.7884 11054.2340 6426.2126 12538.7414 6201.2111 4781.2972 10085.3617 12682.8965 15744.1188 18959.9098 2981.6686 31689.7730 12570.2305 5817.5575 62490.4677 16099.6741 8647.6700 11918.0765 3603.3561 16354.5741 10232.7124 4226.8814 10990.6551 20983.2860 12019.1867 10218.9557 30443.1640 9087.2389 27233.8448 8234.3719 14378.7577 4254.7569 22330.5248 19386.5756 8306.7707 22151.7332 5680.7061 3296.9845 4833.8414 9672.4146 22508.4189 27402.7483 7568.6631 8746.3073 16904.0611 13407.7985 13125.2471 4687.3180 10879.4530 14130.9487
Camptothecin 4882.0461 26183.2209 2546.5662 20977.0245 3634.4938 24476.9947 8397.8132 3052.5839 11456.3931 22208.1059 41215.7535 45335.9137 9912.2642 15830.3809 6550.3273 120.2760 6726.1160 14200.0599 7033.4805 32891.3359 114.3984 10162.0444 13884.7324 16608.7480 22611.0743 4389.6538 6541.4011 56576.0844 5269.4553 32023.1805 21508.5756 2980.8547 67641.5231 11918.7375 8613.5201 3840.9457 43027.8258 7273.3806 8229.2101 1856.0622 12651.5210 18096.9859 677.0150 38602.9688 4860.2913 10671.8634 13128.3145 14001.0331 694.4859 24700.0051 14693.4559
Carbobenzyloxyglycyl-L-norleucine methyl ester 653.5773 7840.7878 2013.7662 2634.3748 2986.0665 3301.5807 2306.0988 5511.1823 10544.4186 1441.1262 2089.3638 1772.9717 3059.0635 7568.0770 235.3350 2316.8371 4193.8524 4468.2827 11004.3378 92.1186 27894.4698 3287.4259 1580.2430 11642.1368 6092.4724 5552.2810 8106.7322 4415.1467 4388.7141 8261.9472 17502.7424 3992.9287 7990.6593 1143.7064 9703.8552 9112.6671 10044.9917 6623.5078 8211.9841 10606.0755 15000.7785 13708.0841 11410.1611 10248.2704 2897.8552 9729.2678 6162.3648 4223.0148 44530.7347 13868.4036 6352.1626
Carboxycelecoxib 1074.7786 524.4288 977.4607 987.8386 933.0928 935.1776 969.3973 230.6272 239.1083 1397.1631 1732.2339 971.4386 785.1200 955.5292 824.4727 1347.7577 242.0474 911.2468 275.2885 968.5070 1036.9473 838.3016 813.0584 1184.6730 951.9456 269.5258 2063.5061 1410.6991 200.7272 1105.4509 1120.8036 857.9633 1454.7726 960.8176 1681.3461 1105.8892 1584.1912 1204.5999 3838.1942 245.3774 5470.3592 1954.2176 1889.7748 228.9274 818.4323 1143.2962 217.4005 1018.8790 1287.9516 1025.7142 848.2869
Carfentrazone-ethyl 4295.2654 4245.7657 677.8005 5870.8288 24519.4515 4169.4996 612.0442 5438.2653 6700.0103 17545.9263 8551.6249 5680.5743 7558.4863 17798.7388 2996.3253 8689.6536 5406.1482 168.7846 6542.5987 9150.8953 5289.6058 9024.1403 550.2327 3206.7752 2916.4105 5517.0134 6104.2417 10331.5435 10949.8306 7569.1375 1892.9405 729.4177 1974.8035 12028.6869 1326.5274 686.4739 2699.0895 1140.1084 1735.4917 4769.1382 6105.5787 158.0940 7320.1258 9213.8078 11840.8769 15312.9626 12502.8888 10111.3962 615.8486 7216.7942 7244.5759
Caribenolide I 43149.1640 79878.5947 33830.6554 28398.5778 39878.3719 32984.6635 36182.8966 48788.5894 46039.3898 36182.9094 28396.1968 9054.7030 46776.4009 65990.5952 5319.7448 40248.0330 25317.7285 54025.0413 143943.5887 26942.5606 106806.0750 50623.1783 25771.5568 50718.4563 37573.3349 3571.1469 16309.7605 59120.3105 38186.8195 3164.3509 51397.9067 42829.8712 13551.6369 10320.8093 96762.1086 105785.1489 32839.1902 46590.5854 73411.6343 77107.2967 115390.2915 73168.4419 49766.2902 51838.6234 658.1411 39938.2159 53170.3859 36921.5166 393971.1860 43705.5548 18738.1296
Ceanothine B 364.8318 3071.8867 2444.2267 2313.3066 2821.6056 2163.8338 105.3653 2338.6258 3442.3368 2501.9012 2448.3238 2105.7560 3370.7293 443.6256 1944.7008 2212.3337 1778.7492 3483.1665 1912.5222 3343.0907 1982.0677 2572.1634 1317.1086 2118.3149 1879.7382 933.9856 3128.9832 259.5704 1605.5822 3543.9271 1293.0179 2185.3147 1947.9890 3021.8922 1430.6616 4314.7656 1355.5069 2071.0916 1940.1445 2609.0713 1636.2990 1635.6605 1252.9052 1423.6218 1809.2276 1438.2868 1899.9215 3578.6848 3029.7224 961.8646 2960.9301
Celastrol 33941.0307 975.9285 38034.2220 25890.3349 17725.1489 14995.2810 5097.2781 1554.1547 27068.9701 27853.7690 23888.4531 1034.2019 8221.5130 70823.5071 168.0106 83813.8275 21401.1810 23476.2626 27676.0260 1841.3187 27696.8268 7032.0621 11313.7241 19917.4853 38288.1139 55664.2846 22517.9306 31760.2791 135114.2369 1005.7372 11188.5587 312.3180 651.4116 705.9485 118078.7849 5477.5594 31218.8632 31553.2850 32028.2631 21385.2736 48759.1582 1351.5260 25019.0701 24319.9335 9286.6178 47722.1982 86595.1024 7974.9206 19528.3823 30554.1371 10295.8277
Chaksine 1348.3419 3751.1048 1164.3090 2464.5278 3634.8075 1378.5298 491.0005 2954.9975 2110.4940 2602.7432 4436.9835 1532.6398 3201.2228 2811.5182 281.2426 113.7205 1921.8882 3710.4640 4041.8091 2610.1280 3508.8358 3106.0781 1297.6803 3281.9132 4147.1444 1133.5558 2562.5241 3094.8009 760.4055 1981.4540 995.4460 1500.3433 4323.4036 3118.1263 916.4082 2944.6246 3858.8098 3723.5595 3841.1163 4022.1563 3774.2923 3642.1345 1723.1136 3368.0282 1800.2277 1707.8486 2382.4057 1913.2312 2664.5750 1927.6852 1258.1426
Chamazulene 2288.9027 720.8175 1322.4927 1284.1169 1525.7265 1849.7853 1932.2092 1518.4794 557.9818 749.5353 1252.8505 1903.1813 1738.7116 4775.1106 1633.6889 613.6829 1341.2794 1279.0677 2436.6290 1883.8693 1808.9094 1707.9126 1646.3759 328.0277 1203.1094 2746.1722 1223.2262 2325.6776 5285.2156 292.8184 1714.3021 2498.2884 318.6437 1753.4829 1318.1432 1155.8695 1686.9021 669.9989 1635.4654 1091.5180 1169.1327 2652.9879 1867.2567 1024.7554 1570.4498 2027.5750 2038.0673 1892.6520 1333.9550 293.4262 1495.9129
Chenodeoxycholic acid 1645.6820 2119.3795 5952.4693 53.3697 167.8411 20422.9886 14669.9302 474.7756 3280.7185 126.9509 330.2949 761.9881 197.7355 9149.5777 213.3930 110.8646 158.3746 178.0270 253.6613 1343.3132 126.9498 2599.1328 9000.2779 613.7935 683.9611 3041.4692 491.8034 1027.3292 47908.0273 216.4057 47318.3072 858.8320 1243.2803 245.5652 335.8824 709.7335 164.9092 266.7378 256.4217 1261.7813 2105.7918 180.2197 166.3010 134.3730 3640.5663 214.6468 28442.3846 21259.6727 511.6574 131.3769 2243.1524
Chenodeoxycholic acid sulfate 191611.7789 8215.2251 302205.5212 1210.8767 86273.4204 62429.5163 22685.3916 386.9134 94382.1415 1454586.6140 899.1224 10897.7431 920510.9955 5390225.3180 1045.9005 350784.3198 299.9212 1755.3251 2941.5526 75871.1140 2871.0270 9348.9382 7717.0984 441978.9689 185728.7311 190950.9645 4808.9921 2194927.4810 245666.5452 170324.6455 159069.2610 147182.2683 4014.6444 112549.2898 199415.3913 6866.5066 3222.3773 280752.2668 2823.2785 5169.0207 5047.0034 1385312.1930 1624.9257 1297.7155 96443.0985 385027.4928 699918.3047 182419.5714 4286.1926 2105.8661 54108.0024
Chloramphenicol sodium succinate 3926.2447 2780.4594 5310.5514 464.5547 8487.3959 9351.0623 4643.6721 9591.8392 7276.5429 1098.8334 1890.5560 6527.7725 8115.4894 765.8776 385.7230 4299.7263 2575.9551 7809.8146 3531.2609 401.6769 1066.6530 5446.8290 4689.2139 1590.0326 3521.6112 2303.2777 4278.3355 3595.2144 2012.3469 1713.1375 2453.1973 12451.6086 6131.4265 6452.0276 6048.6520 7827.9943 898.0356 2253.8690 2655.8552 4700.2158 1259.5338 819.3524 2016.7964 7362.3146 3555.4834 1912.6726 5828.3873 2345.3414 8570.2765 2637.9756 3196.4870
Chlorophacinone 887.9864 727.2495 774.1828 651.3222 697.3281 758.4347 1307.7919 2636.0871 160.5486 580.8393 505.2573 690.8183 642.9092 894.9334 830.0012 765.7458 751.7456 681.6014 871.8188 668.1207 845.3892 666.0332 1723.7768 883.4493 142.0607 1882.8799 643.1930 162.9247 2560.5755 703.1094 709.6482 1236.2566 468.3071 163.5913 150.7591 460.2651 307.9874 681.5645 649.4075 655.0603 1298.9857 561.2723 655.5051 550.4313 803.5689 706.0552 856.3536 186.0892 679.9315 1407.4266 751.4074
Cholic acid 3701.2395 3230.4700 29311.0855 9030.4937 9860.7090 37759.7304 83287.5457 707.7901 25809.5752 6205.6108 9719.1441 1249.8632 5059.6017 659.8167 537.2452 715.3817 756.5067 241.3142 119.7180 27532.3128 11993.5735 3200.7554 161572.0944 117.5970 12860.6835 4482.3231 235.9897 2579.9813 54498.4936 131.2514 69871.6260 216.6803 13274.8274 6296.3583 4939.9199 8523.3979 4898.0338 265.4446 8446.5378 8304.8065 12104.2910 8078.9602 13815.5552 11856.3038 20104.7420 10522.2109 96145.6394 33863.1356 10127.0846 18513.6842 6043.4932
Cholic acid methyl ester 520.4134 90.9840 2421.6226 97.1013 103.7593 5879.4767 2800.3486 184.3702 4295.9316 954.7377 1056.4035 89.2983 1324.8223 384.3782 2083.9806 1644.9935 1163.3121 1452.8699 2486.7268 733.9218 747.6148 705.5749 6392.8091 87.9205 1624.3613 5759.3748 281.7025 527.7321 6242.2571 464.6598 6609.0285 102.2848 736.6752 87.6283 875.0458 1880.3807 1294.1172 1083.4673 880.8968 845.3722 1565.4809 369.5862 945.3714 93.8925 1593.6363 2277.4319 14207.4913 4260.8852 1059.1004 1903.0985 1110.6354
Chrysanthemic acid 844.9415 212.4041 296.4922 498.3666 945.8282 206.2209 992.1345 947.0425 647.4532 225.0787 519.3547 852.6699 1082.4457 586.9804 1638.0865 222.8630 442.6257 220.9636 502.7497 211.8603 468.5861 245.1181 910.1918 911.9377 1447.6658 778.9229 535.9243 663.6260 888.4433 523.9078 699.0015 1354.3229 234.2078 1106.1259 1146.8755 617.5230 499.9866 200.5261 458.5882 276.7703 586.2555 450.5353 484.8181 883.3324 1917.0117 1647.9268 592.3284 218.8625 558.5770 662.0907 1539.0039
Cinnamic Acid 10445.6349 22453.6547 55614.0822 22562.2262 21887.9213 228720.1436 8133.9339 2714.9278 54264.6593 14045.6445 17539.5131 597.3329 2092.7336 176.9642 26065.7289 15903.4834 1966.3793 4998.6842 24342.8355 33839.7589 1814.0767 7655.4778 1887.4671 21636.7251 11006.5214 23991.0769 15845.6298 17248.5082 903.8329 25621.3504 305.9553 2557.0369 18718.5097 974.5637 14930.9639 22592.0261 24702.6093 18216.8058 20845.9227 964.6320 15731.9805 6837.7937 12918.7655 2416.8155 31333.2124 1325.5339 12167.2168 87527.8152 166.1479 16414.1288 8809.5710
cis-(Homo)3-aconitate 20101.0349 1231.8989 24109.4445 142427.3565 265.9978 53848.1740 14809.9399 2420.2903 1567.0023 27688.2320 2025.4988 5965.9831 10270.4288 2625.2537 14570.9582 2987.3211 11598.1570 3179.7441 22284.8801 20443.6028 20399.3714 1158.8306 18599.8926 26413.8676 5119.1050 27704.0072 5653.4245 21939.3870 20869.2562 518.1313 9087.7841 20177.7476 208923.1083 12235.8838 2822.5748 31852.4653 2017.5012 37910.0752 31515.6433 7415.6173 26247.6996 242.5221 15736.2130 27378.3753 12694.3229 13814.3073 8221.3786 21892.4601 4457.0862 13440.2894 6033.8375
cis-Pinonic acid 13518.2049 15179.0569 28400.7904 20540.3756 335.1729 1179.6394 22163.3945 16961.2915 34817.1702 11487.9448 6340.2868 26347.3444 3285.6429 17424.4916 384.3075 4124.3860 15583.5624 10779.2607 612.2467 2059.3570 11778.8778 13958.1595 61184.6755 36350.3841 13999.6304 323.5207 13766.2380 29066.2257 38295.3772 2263.2414 26598.6015 1975.8992 10301.3327 2838.9330 18249.7340 853.9802 457.7451 15160.5418 10433.9175 4742.7315 630.7154 17951.0674 18175.5485 15162.6513 21753.6149 22175.4749 1681.2947 211565.9054 17308.1601 11824.8418 15023.7001
Citalopram 2054.5314 3394.2064 2158.0354 1307.1817 2810.5741 1789.2239 2005.6425 1973.3828 2442.9892 2397.7392 2169.6005 230.7735 1946.5936 2807.4591 1898.3038 2181.0439 1178.6129 1357.1133 8319.2964 1901.4096 520.3911 2084.5757 2142.8109 2800.0357 904.8473 1304.6256 604.6746 3033.6452 2147.3914 3544.2127 2481.9242 2264.2101 1918.8451 231.1325 1516.3211 3496.9114 4522.8186 2423.2796 2014.0592 685.7245 892.4534 2038.6758 1385.0637 1240.7022 2081.2802 2556.4326 2283.5612 2276.9882 16321.7239 3476.0026 2160.5863
Clavamycin B 2401.9126 5272.6224 2092.1875 3121.2795 863.2628 2239.6721 1851.2194 2862.9634 2549.7676 5072.4626 3933.1814 1469.5477 886.7585 3468.1203 859.5617 2705.9823 3046.1442 1957.3526 4751.6350 1911.4364 8626.5156 986.5607 2057.2948 3319.2530 2395.0764 2288.8709 3601.4828 2388.0019 2369.1177 6403.8577 2463.9591 2357.2029 5371.3719 2607.0182 2503.7880 4592.6235 3963.5258 964.1894 5229.6903 3753.7282 4876.6021 4665.8017 3257.0083 2066.9063 2134.1376 2218.3322 2318.1149 1880.2965 8278.1930 3215.8989 1826.5556
Clopyralid 42612.7152 81401.1743 42576.6413 94339.6316 100659.4426 59824.0786 94111.5325 93492.7839 32444.2228 97334.2992 96785.8288 81279.9727 103136.7130 96854.2018 77812.1717 103561.1685 91067.4785 82606.4261 62112.3603 49362.9680 88816.5627 93854.6393 99725.9437 106911.6166 108375.1888 102258.9984 105111.2529 89332.5778 103984.4725 87195.9224 23285.6771 55295.9478 90519.4416 100995.8641 73046.3222 74093.1507 93300.0799 92662.9302 25888.5622 58775.4140 92827.6312 84497.3273 94182.9987 98548.9471 103872.1020 76366.7786 59204.3059 96235.2486 103493.9848 67721.8796 19907.2263
Combrestatin A4 17655.8807 21677.9957 4084.0582 65312.6985 24278.6663 2370.6881 3987.3635 25106.4041 2350.9357 28634.2452 58113.2349 27827.2359 531.0769 21924.4646 8193.6672 21163.6940 20411.4976 17318.1767 77510.5841 9599.1080 87949.7608 2613.6194 1214.9961 32705.5670 65075.9820 15028.4031 17990.4656 105309.5206 19531.3402 110401.0762 19965.8622 3457.5823 22968.6193 2928.0959 22011.8102 38730.5022 87485.0608 10039.7188 50101.8067 13820.6725 139327.8358 18771.1540 31485.9813 44059.5760 109.4331 18183.8361 16097.6822 930.3760 68607.3914 31429.5503 2804.5006
Convallagenin A 6606.3234 13031.6909 4113.8504 3202.8265 3237.5409 761.8548 534.5611 11455.9650 11514.8111 5357.0555 8354.0430 2735.6260 3435.3663 6365.9333 2234.3677 138.3326 2455.3966 2979.1322 11088.6985 119.2689 4715.3476 900.3664 2641.6045 13258.8590 7670.7738 2277.7987 4452.1165 10314.9996 7229.6558 3894.8456 5658.5261 2922.0832 8134.2266 2850.9867 1076.7826 6165.7900 19619.2909 5476.3915 9753.7013 736.6149 8032.2802 7579.9380 1341.5892 5275.3428 2465.3360 2451.8887 10505.9369 5219.0726 5687.2238 102.6284 1796.7754
Coprine 605.8805 817.0818 1049.9930 759.7331 301.7896 2013.5174 675.8274 467.0942 189.9667 1590.8696 1363.9180 319.3804 787.5155 1335.2686 737.6713 801.6269 281.7956 191.4256 854.9392 118.7427 1419.7009 1732.3472 1033.3490 968.4586 352.4294 1138.0581 816.6653 927.1316 665.6828 891.9924 628.4510 732.7401 1048.7056 585.4538 1060.6065 1315.3169 707.4076 1332.1078 685.8425 1314.6830 1335.7605 867.2373 547.8457 578.4059 135.6563 703.1546 975.1992 1613.1567 973.4459 293.0142 783.6967
Cortexolone 1060.9965 54037.7576 6718.6449 8464.3158 15430.7747 491.4218 23285.4765 38043.5145 1144.6452 11419.9408 603597.7498 581.3904 4332.5314 12509.5369 5820.1165 43137.1486 24623.4926 19945.1100 45222.9729 657.7581 33333.9463 2455.1068 112.3460 38585.4782 96431.8977 287.2681 8756.9191 30713.4444 29040.4783 61158.5785 1205.5337 576.8340 31862.9881 38236.7480 563.2044 656.4177 69516.0196 30481.3557 48133.3587 22583.2194 2380.9691 1273.8222 612.7799 20018.4883 643.6877 1818.2085 48658.4589 1581.4340 33568.4265 28793.8429 132.1358
Costatol 3741.2569 2812.5656 3428.0681 3311.1310 3116.1560 3838.9827 3722.5892 3869.3947 3207.7906 2975.4324 3415.6205 4044.7096 2060.6843 2216.9465 3417.2725 3290.7632 2894.2143 3493.7328 3162.5088 3280.6826 1895.3324 3556.8127 3825.5306 3181.4584 3187.4502 2765.9200 2877.3366 2752.6691 3078.4478 2891.6347 2905.2829 3175.9951 3086.8428 3113.0912 3033.2446 1725.1746 3043.6879 2665.3951 3033.5392 3129.4020 2710.5162 3006.6722 3079.8838 3455.6439 3063.4354 3680.4181 2830.1735 3848.8330 3615.9451 3076.0978 3106.1090
Curtisian O 3566.5040 329.4390 266.2073 525.0111 467.5648 807.4287 759.0222 678.9221 719.1418 685.4267 156.1846 644.0206 784.2016 738.5336 160.9983 529.2576 596.6907 597.7496 1160.0155 1028.3792 547.0855 966.6890 807.4951 992.8115 541.3847 804.7365 520.4376 709.8724 353.9175 235.9169 2910.6056 669.4014 678.8610 275.0415 319.7203 1062.8931 326.2643 330.4229 919.0828 138.5554 704.7435 775.3728 569.5296 857.9988 630.0807 901.2570 815.3773 809.0515 1039.3902 107.6078 656.0096
Cyclamic acid 720584.0167 493000.9877 7728622.1630 588887.6362 8435.7073 105.0309 182.0807 258.7290 477.7172 5796.9564 987.4755 762449.8309 12295.7834 2210911.6540 116.7602 538.4425 517060.9819 984.0961 7931.5766 621365.7402 1060.1644 744.1131 1002478.3870 194228.5658 496601.3575 46213.3791 270409.4479 142817.9424 1041818.5140 1047.6652 742529.7572 544237.9032 442665.1243 444210.2998 6523.0809 195365.9760 21471.2117 19122.2734 238639.0898 601273.4818 446985.6131 238.3474 781.3023 377904.7738 119.3233 34651.6845 1426778.7070 624149.4416 261749.4785 199469.2708 154931.6496
Cyclohexanone 2644.8506 28566.7860 153277.4117 2081.1403 21569.3651 6582.9408 100748.7272 14690.8756 3192.0956 18103.7754 16899.0020 1848.6488 663.1946 27479.7540 25106.0599 168162.5858 21727.8405 22571.0870 18028.3721 10034.2671 24848.8063 23484.1168 13618.1913 17645.8742 204.4073 20120.0005 11649.8476 14971.7627 4064.3667 33272.8401 15894.5911 19474.9660 153.9293 14397.0411 661.5592 1518.8131 14706.1581 676.0385 17796.3641 6414.2722 24337.6912 23470.3806 15655.9064 15571.6773 6971.0078 24390.7743 7330.4084 42380.8077 1671.6883 20141.3001 9682.8313
Cyclopassifloic acid B 1989.2532 1967.3236 4039.5813 2036.5351 1704.4011 2303.3207 769.8280 1625.4255 1615.9906 2397.6328 1725.9011 2150.7509 1308.5058 1131.9961 2048.4520 2471.6289 2059.6840 396.9611 1126.1414 1863.4139 2502.7232 3137.6450 1392.6331 486.4278 1565.5481 1754.0252 242.6671 1824.8026 1960.3642 2602.0816 5500.1922 1633.2602 1559.4363 1818.5220 1743.4181 597.5206 7620.2017 564.9621 11144.6351 1097.2251 420.3512 3485.5782 2139.6352 788.9770 1928.9007 2473.1983 4361.1977 225.7408 297.0493 204.0561 2144.6198
Cys-Leu-Thr 11430.1745 36753.0181 3299.9834 12673.8163 12303.5672 10466.5774 694.8072 1290.0168 14390.5535 39514.6094 21372.2113 12616.2387 12364.3095 27891.0573 9587.6671 13282.2535 18179.4271 27714.2546 50219.4797 11553.7813 30196.5803 17235.0594 10957.1037 4004.3387 36408.5997 4253.8473 10681.0709 30237.0989 12740.6666 4331.1231 12945.6005 12230.0852 13877.9840 13254.3954 22191.7668 46902.7026 38545.3793 805.7442 46473.9612 34485.7374 47759.8723 16705.6832 29944.1817 33197.7173 1909.9269 13061.2898 9941.1981 12793.1747 54315.4822 40157.3889 15314.4629
Cys-Pro 4418.8196 6863.9952 6076.3410 7514.5480 5392.2640 5388.5232 3358.8923 6108.8716 5843.1256 9440.1148 3964.9167 4101.1725 6210.2687 596.4295 2021.9073 2809.5782 5773.7664 11701.1106 5385.9928 7885.2201 1908.8807 10784.0077 2091.1031 4908.5911 4620.6888 8614.0345 6778.7486 4375.2928 4982.9901 5408.9624 5168.4264 4858.9973 1734.7603 4195.8199 9042.7167 6525.2185 6525.2488 8276.4229 4501.8444 5558.3500 2768.4617 5910.6162 9492.9447 11507.9500 6288.7812 7794.6748 5412.3039 6662.6722 9872.6986 12098.4206 5424.6152
Cytochalasin Opho 7895.7779 11909.4907 10895.9527 1897.5710 2263.5103 5159.2854 3787.8657 14076.8587 7913.0201 12226.9312 5322.0865 4215.0243 8604.4667 1691.6434 472.5773 811.9234 1423.1430 12313.6580 11675.6873 5232.8936 2733.6295 12526.1962 2057.5621 12179.5920 5002.4494 8878.3963 6897.1034 17697.0036 3298.6615 6390.3600 7725.8025 3866.5722 3501.5456 8566.4565 8448.2751 4087.7699 26119.5387 15290.9633 3708.2492 9736.4170 3229.2916 8637.7009 6381.1997 7842.9335 3887.4520 7885.6848 6882.2851 13194.7885 10020.8962 8377.1132 9928.8272
Dapiprazole 731.3678 1964.3913 293.3800 1062.9956 668.0557 701.4219 571.6411 372.9003 670.3920 1412.3488 1363.8930 144.1942 800.5236 1176.8414 636.6209 785.7630 149.3844 1040.2484 2130.6958 619.1260 1522.1162 952.0743 636.2871 911.7183 961.7764 1172.7820 466.7164 468.5999 207.4653 633.7034 682.8962 688.6144 1708.0144 837.2468 908.8218 1202.0009 3919.9446 178.1473 2715.1740 892.8928 3035.1307 1877.7441 674.4401 690.1885 565.9182 134.9481 1291.9098 676.9000 1766.3075 1083.9108 654.2073
Dapsone hydroxylamine 2490.8401 2194.0574 6157.8812 396.0006 1869.7762 3380.3566 4262.0404 2428.9798 1732.6271 2454.4273 2027.6523 4161.8769 2801.7361 2797.9909 6180.1675 3120.6070 1402.3715 3711.6209 2325.0023 1961.5521 2806.8134 2619.1194 322.7985 2217.8104 2618.0272 2359.8626 2048.7400 2504.1519 2998.0891 2873.0838 3058.1221 2296.0205 2307.8290 2762.7312 1681.0944 1575.7428 2757.6098 2662.3788 3159.0545 2292.0840 2533.2684 2598.7274 2377.9119 2213.2575 6320.8676 3201.9415 2356.1330 7387.5013 2423.7583 3593.2273 1845.3635
D-Arabinono-1_4-lactone 1484.0840 3464.7467 2657.0871 2469.9671 5672.6925 14383.2643 2199.4343 2037.3818 4518.0873 4857.5512 3666.0364 3838.3949 930.4244 1105.9070 5388.0407 3881.9445 572.0224 1191.8537 3353.1728 6490.7186 2607.3771 6130.0787 4331.7724 3597.0988 1804.0415 5841.6993 6770.3072 1076.0533 11680.8338 2503.6515 1414.2533 3543.2021 1942.2547 16010.5780 1098.4720 2699.6669 1312.4324 11649.2095 5476.9945 6723.8086 2184.8241 4162.6141 4432.3830 1900.3998 1031.1761 4544.4468 4456.3870 7288.5100 2895.6276 3231.8608 670.0530
D-Calcium Pantothenate 382220.2230 11859.0362 21661.7039 24518.7805 12410.9561 1553.9531 5200.5387 49963.4878 23386.8654 15383.0029 17412.5241 5236.1493 7572.0871 5250.0673 7369.3884 104887.5612 12430.2782 29304.0173 84420.3945 9963.8952 13800.6031 21652.8639 1467.4722 76235.8850 21849.3929 32712.8366 16631.5919 3473.1363 6422.8955 31055.8152 779591.0351 30161.2557 32085.2017 11890.3165 48010.3766 36561.4522 62837.1416 34660.8657 33576.4028 23433.0322 121181.5996 11027.5067 14455.8253 51314.8997 5866.8111 7804.0893 7484.3433 12432.3240 95883.8933 20085.8708 2793.1833
Debromoaplysiatoxin 5340.5833 404.9556 986.4278 4643.3517 4262.0172 3814.7532 3223.0217 6481.9469 6189.9494 5813.9204 4857.7753 1790.8444 4625.3758 6499.6243 2133.4169 5075.8384 2583.9005 2749.4672 6079.5259 4648.2751 378.5711 4422.3167 4187.3774 18805.6418 21802.3868 4029.4340 3845.9281 7558.8952 6106.7425 435.6830 5265.0123 5389.3569 9106.6931 2215.5085 4729.9686 5899.2181 6060.3943 5640.5470 9230.5975 3737.0517 20068.0207 5959.5625 3083.3701 5628.0326 220.8989 6260.9254 6305.1112 5569.7995 5648.8783 3579.2828 3676.0261
Dehydro-L-(+)-ascorbic acid dimer 608.8773 144.9559 166.3314 149.8163 497.1970 149.5016 584.7959 598.8947 790.2754 313.6756 163.1491 744.2863 843.9707 283.2613 772.0501 167.2252 685.0466 601.6669 337.8810 515.2025 160.7093 334.6547 609.1716 501.0333 399.6650 634.7209 435.4592 555.4678 138.9379 149.0054 172.7644 1000.5422 320.4198 706.8967 447.3826 468.2551 310.6327 363.4279 473.8069 444.7630 178.0257 176.4138 468.5404 614.1241 852.8759 715.1729 880.4029 322.1517 184.8537 480.0267 475.6702
Dehydrolithocholic acid 1056.0952 3218.1700 2720.3486 2936.2664 7224.8151 3103.2641 2697.6406 3700.0128 450.1551 2709.1753 13391.6566 2014.3929 2237.2923 4670.7241 247.7019 1796.8991 1413.5197 3802.4433 8523.9984 1205.7461 4334.3568 1139.1594 2187.0436 13967.8949 16976.2031 545.0877 1341.8006 5698.5254 3449.7910 976.1809 3847.5433 1411.3209 11289.9913 9461.2975 3020.6160 2799.0378 5382.9050 7049.7692 13240.0177 4967.1325 6970.2414 6313.7126 1707.8181 3950.6554 2788.2991 3518.9710 1243.6018 2541.7154 4042.9061 6573.7177 2737.8609
Demethyldecarbamoylnovobiocin 4836.2138 6839.8449 5885.8727 4856.1107 877.7114 3674.0129 4244.6916 3888.8589 4964.7576 5791.7426 4244.1735 5120.4993 205.8380 29377.0545 3678.6311 212.1638 3182.5372 3514.6267 7264.9856 3736.0353 5561.3936 4859.9655 3269.4440 4065.5826 3121.6572 5020.5716 4560.6734 19474.0341 3071.1052 6421.5972 912.6354 1420.7004 4536.8500 1187.3251 3437.1378 5262.5014 8576.6506 2196.1123 5775.9757 3527.6927 7826.9341 1191.0646 4476.3025 5318.3537 3767.6859 16839.0580 5628.3698 1097.3411 6237.1992 5986.4193 2651.3169
Deoxycholic acid 581995.9084 652601.1267 451531.4153 390252.1059 350616.4561 47733.3233 84324.2129 592463.1491 369718.9594 520537.1370 543107.4440 140315.9924 561154.4738 732528.6332 113704.0144 210063.9836 412630.0175 410414.8615 642855.6853 277279.1217 607936.7576 668438.5337 18231.6473 539364.6845 518490.5338 461712.1097 484807.4795 674047.1874 406312.2933 420454.8944 399741.5107 359138.1017 583554.3417 270306.8629 257028.0636 402188.2195 649106.7884 449664.0925 533482.8739 579664.3513 618815.5748 710397.6924 320997.0933 545089.2972 91320.2751 382359.6555 599732.3059 278135.5348 341476.0450 106445.5615 423795.9595
Deoxysappanone B 7_3^-dimethyl ether 838.0581 6575.0998 5110.0930 64502.7596 6240.2493 2254.0753 1571.4829 6542.2622 3007.4045 124.0438 9161.4390 5321.0809 15313.2176 2397.3245 14325.2613 11057.2358 1347.9106 6236.2321 7507.0043 2039.7021 8728.1054 7360.2709 6452.7211 4996.6150 15990.2134 1038.9245 4841.2909 610.0037 6527.2765 1477.6587 9925.3516 7488.6548 8831.2502 13837.9811 3841.2247 4628.5751 9514.0431 8163.1044 3419.2010 4504.7817 2548.9202 2291.0862 18782.6444 119970.0864 473.1597 13333.2289 8175.0873 7842.9391 553.5281 1103.6502 1752.3747
Dermatan 4-Sulphate 1360.0495 2134.3141 1560.6896 876.7906 833.1958 1062.6452 1179.1611 2018.6245 657.0689 1963.9094 1598.5786 912.4780 1419.0678 3499.0813 813.4995 981.8244 1028.1052 457.6790 1421.4961 380.1448 1478.1153 1987.9783 936.5303 2135.3050 1474.9934 953.9654 1661.1638 3865.5703 868.7817 1369.3965 754.1699 1248.1976 2544.0342 365.1223 553.0137 642.1279 1882.4573 1264.8352 1463.8533 2061.0861 1625.7197 2064.7224 874.1740 1404.0806 296.3850 976.8551 1857.8524 442.9781 562.5322 883.4811 1256.1459
Desethyleneciprofloxacin 2651.8860 1820.1070 1950.4734 717.7085 1257.0790 1236.4472 303.4466 1347.5523 499.5122 898.3907 979.0016 5268.5210 801.4912 457.7312 1550.2980 829.5299 128.1267 5445.5476 633.1683 5579.9238 1782.6668 731.4685 751.9062 1285.8260 558.4607 756.5535 1010.8773 7533.7873 4207.0627 4923.8539 5060.4252 2354.8697 1381.7604 135.4590 1188.4863 1294.3483 8174.9523 3048.9040 8998.7336 407.8484 1342.1401 13115.7775 574.8374 617.2915 170.8379 7280.5986 2019.1665 573.2305 703.8697 1974.7944 1350.5013
Desipramine Hydrochloride 5751.5468 11686.7392 6668.6306 5145.8406 1513.4870 9011.1358 7412.4251 5943.6975 8391.3716 905.5003 10267.9032 1477.4708 7406.3420 9001.8639 7173.5684 7552.3453 7346.2549 12592.5255 26983.1907 6629.9537 5168.2524 7386.7639 7552.6799 3164.7764 7872.1281 2773.9978 2802.2399 15398.5148 8482.4511 7202.5887 7640.3547 7917.3628 1771.4599 7185.3871 6984.9807 9032.4084 11029.6333 3047.3327 415.3820 1425.2190 32174.1281 4778.1896 9703.6719 1301.3046 7205.7720 7942.1709 1393.2506 19894.2653 1444.7951 6908.9244 6544.1218
[Des-Tyr1] beta-Casomorphin_bovine 4633.7665 4416.3818 1139.6370 3599.9070 2133.8234 4034.7070 4145.7302 4142.0584 4938.3669 698.4538 3907.4596 4328.8362 3433.9485 6030.5274 3323.3399 4545.5509 2064.5041 3015.3154 4699.0052 3768.5109 5108.2505 3547.5394 5560.5930 11535.1297 1967.0370 13854.3893 3067.8774 6285.2718 4440.4555 2401.9476 5817.8557 4647.4676 16319.5271 4532.2475 3428.9000 1222.5664 5522.0312 4580.9533 620.7603 593.3229 2931.2269 9370.4999 3750.1870 3540.8939 3299.7189 4157.7534 5536.6555 3662.6076 9039.2903 3078.5572 1256.2674
D-Glucuronolactone 6890.4850 85988.5001 57045.3613 19217.7174 12024.6294 21428.2226 8885.8823 10790.9578 77545.7332 37951.4246 35622.3357 10406.7034 41261.0041 36466.7885 12709.7934 11105.7653 20995.7417 21395.3043 23896.9680 6971.4642 169413.0393 59867.4461 6644.0675 16617.4613 4654.3647 345.9742 62474.0027 11714.6265 17025.5222 69354.4579 61936.9342 1548.4681 8237.1671 33788.8022 13847.0680 12861.0487 50571.3028 20598.8573 50307.0456 56505.6130 23634.5953 21006.3457 13903.8813 7908.8142 19110.2258 50399.9773 18942.9682 19350.8453 19881.4282 23155.6413 87731.3809
Diacetyl-10-gingerdiol 92474.3122 296.5077 393429.6043 531606.4649 310983.5836 1261766.7150 22624.0028 8197.0356 815930.3484 192070.7795 372850.1205 1407.4459 411188.6722 3780318.8980 1521.5034 1132000.7350 357933.0286 274487.8395 258.4352 64373.2622 103.5547 6457.3387 4715.7500 297100.5793 87938.3870 3157370.1950 10279.2784 3686905.0890 6448205.9300 87772.7367 72296.8441 70328.0267 247.9678 41878.2714 236848.7673 7643.0765 131.1012 109504.4959 321855.2499 235784.6697 10524.6696 676266.7101 453549.5366 464823.9361 30928.5517 1389375.2550 778733.6998 767106.5560 338.4487 730549.9356 84461.0259
diaminomethylidene-[4-[[5-[(E)-3-[4-(diaminomethylideneazaniumyl)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2_3-dihydro-1-benzofuran-3-carbonyl]amino]butyl]azanium 5343.2239 5278.2764 2855.1783 5107.2783 4151.8632 4805.6071 2913.2703 6538.7038 22861.7725 6486.9663 6128.1970 6196.7602 3994.2825 6221.8595 5865.7745 679.6770 5696.9373 5421.0778 152.3919 5821.5594 5498.8445 20290.6597 2192.3893 31950.1614 1519.6736 447.6068 6327.1513 5763.1152 6053.4792 2252.8024 2656.5206 5315.6343 8987.4179 5814.9156 6303.7322 2113.7834 6112.8289 16004.6477 1238.8955 183.4273 4959.6133 6135.1229 4966.8497 4776.6034 4760.1252 4827.5618 16327.8082 8729.2566 6567.7927 5949.9748 3407.6389
Dibenzyl Trisulfide 1098.8348 1473.5229 1312.6338 1766.2606 3221.7995 1205.0434 135.8799 478.5889 1243.5719 1713.9641 1205.1331 1411.8722 1251.4060 4543.6163 312.1710 1190.2528 1881.6142 2001.1688 2628.7551 1316.2494 1414.8944 2394.6419 1147.1445 1239.3865 1282.0883 140.3507 955.3682 807.8487 1184.9735 1455.6407 1273.6979 1341.4772 1207.1415 1457.3978 1707.3783 706.2207 1709.0996 806.0330 592.7932 1024.6709 1420.8067 1182.6466 724.9379 1070.5871 1851.0900 1371.2237 1336.8636 1396.9714 1317.4456 1283.0699 1145.3114
Dibutyl adipate 1455.2848 1598.3479 1789.6881 1258.9596 2404.2504 976.4200 174.9100 4353.3662 1529.3192 1513.4845 490.9847 1685.2164 1532.0360 1662.1042 223.9438 1355.3029 1316.6634 1594.4693 1394.2735 1393.6215 1350.8937 1502.1960 1409.0104 1831.2988 3722.1080 1476.5351 1321.0754 1609.4469 1559.5318 1581.0989 1602.0947 440.8109 1609.9553 2621.5185 915.4560 1388.5767 1515.9276 1679.2997 1466.1134 803.0150 1314.0993 1375.8059 238.3946 261.9743 1315.7815 2147.6448 1261.0421 1472.7978 2219.9739 908.2682 3284.1618
Didecyl hydrogen phosphate 1515.9140 584.3133 1494.2722 3906.0349 287.5825 965.6128 2584.5864 3021.1268 485.7088 5381.0762 617.0155 1513.1478 1411.0736 7670.9072 617.4027 497.4772 1373.6476 2223.6004 368.7933 358.5329 3632.2225 1860.7458 1415.3804 2010.6563 1817.4311 345.9591 1195.8140 2834.3602 702.1135 9380.2111 1887.1021 722.7301 3329.7652 1465.8774 1407.4236 3643.1029 3082.0667 3973.6345 3619.0167 4010.9336 3861.3144 1413.9576 1976.8543 1744.7146 288.1819 760.6305 2370.5160 426.5305 286.4219 1870.0231 575.2788
Diethyl (4-chlorophenyl)(hydroxy)methylphosphonate 1848.2006 1256.9022 1573.2151 1348.0550 1713.9918 1152.1253 2050.1787 1386.1777 1629.3449 1206.0911 1082.3045 1345.0255 2155.2498 1242.7853 2328.3351 1490.0656 1406.8680 1201.3332 912.6308 807.7938 971.3725 1423.7512 1531.3471 1466.8610 2141.9500 1398.2472 1372.1224 1208.4896 1654.9570 483.9602 1246.3276 525.7017 1054.9180 2047.2204 2330.2888 1180.2382 1070.0397 1380.1639 1000.7988 1301.2021 987.9247 1270.8392 1319.0300 1409.5406 1285.5606 1984.2180 1744.6274 1625.6205 127.9639 130.0364 1868.3830
Dihydrocelastryl diacetate 18009.0656 131668.3638 13647.0689 19539.5735 4661.5357 10073.5508 3395.6752 7621.7781 2623.7131 5440.4113 13200.2442 12618.4683 5788.6643 26004.3779 2694.3103 3267.6280 12069.8749 21881.9241 12137.0535 13505.5704 3765.3728 16910.5055 6322.8154 7646.7730 17290.5694 9173.2114 12369.0321 65004.2889 23659.0144 83047.5088 29227.0582 13916.5788 2560.6503 17055.4835 5594.2925 43330.8804 11807.4940 14444.4398 5603.9924 14871.9151 41747.4921 17013.7816 17261.3785 12519.5034 518.2736 22178.4076 17340.0322 582.5216 16719.8161 1934.7783 10655.8441
Dihydrocitronellal 46182.6431 47964.1715 44639.5278 53798.8610 46960.2769 45950.5388 45740.9100 47485.8086 35470.2540 43060.0614 42850.9692 46373.9215 43097.9181 11957.6083 54491.6216 45293.4648 52119.1116 50833.4113 43728.5756 47433.0604 36660.4981 49908.8232 40494.2124 47381.8164 51634.9015 40109.0529 52139.4125 24778.4804 35354.0611 45222.7481 33800.7379 42230.8861 44508.6446 40385.6448 43744.6510 51928.1730 31422.2504 48722.1932 41901.4865 47945.6802 43857.0003 44704.3587 50629.7255 50000.9652 57586.0526 40566.1799 32541.3352 46863.8492 52981.3640 34338.1187 52628.9512
Dihydroconiferyl alcohol 3164.1074 79801.4279 15509.8494 44292.2588 8122.0946 13427.4236 2414.9020 7767.5926 8284.4968 38254.4335 48812.8980 4784.7056 49226.9304 16927.2613 4499.5274 23220.2542 21780.1362 57700.1012 45420.5909 530.3971 55737.6644 3689.0244 3204.7361 18769.4752 7650.5951 9450.6749 19483.7132 9037.6901 2347.1656 15863.7332 15529.1384 9629.5167 86564.2076 1227.0153 5615.9291 36419.1610 40111.6668 16670.8993 30166.7467 16407.9406 105935.6013 29741.8818 55675.6946 48274.2596 14629.9599 3685.6741 19613.7916 2471.5552 24698.2875 25566.4485 5701.3125
Dimepranol 2797.1864 1787.3144 4330.3590 2829.8755 2313.5743 376.5052 1885.4372 4223.9045 336.6074 871.7780 2448.5859 131.8178 2359.1882 3129.6959 2016.4172 643.7164 4442.5841 3695.0477 4346.4451 2069.5116 1752.8719 2949.6290 2171.2678 5645.2104 1645.4403 5961.4639 986.3969 4049.6508 1633.9669 117.4335 735.3417 2641.8035 559.8444 2295.5138 6973.6911 548.6103 233.9777 2020.0094 1332.1988 631.2544 1181.4769 2634.2059 119.4222 6439.3441 1545.1897 2199.2240 2366.2118 1678.1091 1316.5584 2899.2357 2048.2608
Dimethyl azelate 1051.0700 2611.4510 2273.3093 908.9967 688.6686 1522.2566 126.7758 875.8385 2173.1990 3583.8519 3208.6212 1454.5847 722.9270 1871.7244 233.0302 1212.1398 971.7181 1688.3016 3586.4988 450.0804 2569.5522 487.2551 902.7168 3818.2503 754.5673 321.4131 1035.9973 699.0221 1216.3576 661.5086 1104.6122 733.6707 3188.2561 1084.7164 1979.9542 111.2166 2144.4780 1457.9078 2014.1606 896.5453 1664.8430 1675.8194 575.9942 2375.9404 384.6848 1237.0708 1942.7116 640.1071 996.6336 1854.0166 129.7500
Diminazene Aceturate 7523.3667 3327.3971 5621.8454 2163.4705 5818.9989 4974.4260 313.2268 12672.9437 5596.0087 332.3207 1321.7527 5836.7178 1071.9526 6327.5509 1495.6442 12093.4983 4145.9374 6735.6654 1801.6792 4654.3497 8911.7100 5277.2649 6631.7370 11546.6750 38138.6113 3215.0143 4283.8084 8326.0448 7178.8340 8017.7467 8619.8669 2049.2950 5769.7834 3219.9909 4831.3960 3329.7897 5588.6431 5374.7615 1000.3749 6921.3980 33783.6746 167.1305 5674.5625 3419.2036 2285.3418 15650.3333 1367.1052 2841.8219 5439.6468 1301.7258 5363.6517
Dinitramine 4685.8610 28849.6938 6469.2683 14484.9150 18204.3499 5340.2534 1358.5408 8647.6970 3982.8278 21654.4103 17480.2351 3295.8353 136183.6138 31300.9932 15713.0560 8994.2358 17402.3524 16433.5750 14054.9926 21678.1103 1333.4863 2418.3444 4314.7228 188.6129 3321.8105 12794.5789 2140.5131 26285.5960 16733.9138 129092.3019 2493.2121 12192.0255 17238.1604 12741.0615 15887.2330 16866.3344 23396.2832 239.0328 22106.4562 13459.2430 25670.0141 24294.0786 25494.8928 12694.3940 6422.8698 10465.8503 29197.7754 57404.4472 9342.1047 232.3667 39757.6170
Dinoprost tromethamine 492.4765 328.5024 717.0806 557.5286 508.9797 1042.5550 1460.6439 678.5373 290.3327 863.5823 277.0719 563.8960 2328.0755 529.7230 1007.6528 788.2656 710.9628 698.1410 170.9123 636.8207 393.4358 1449.4564 1173.1609 701.0346 955.5395 976.8814 969.3990 153.7662 353.0253 169.3038 2302.0192 1229.5432 447.1514 1058.4855 571.8114 787.5348 136.6727 630.2291 284.6867 139.8865 362.0929 339.0736 392.2666 687.7411 872.0149 747.3395 188.1522 900.3092 678.0243 1251.2854 768.4594
Dipropyl hexanedioate 2162.8693 1368.5942 3979.3318 884.5040 8657.9428 2287.0003 711.3422 3820.0331 1076.5356 2316.9557 5180.1406 4072.9880 3304.8796 2556.1048 3795.9337 1204.0032 2820.5008 6614.4660 5760.8035 4679.2347 11435.3675 14438.3439 4574.1957 1857.3040 1111.8159 1482.6385 12570.0473 2591.3172 566.8208 136.9574 198.3111 1981.9144 1512.8957 7418.5751 1203.1313 3047.5639 1230.6262 389.1058 2326.9835 8141.3139 11225.6079 806.8689 18133.1702 3380.8821 22668.3532 4701.6933 31407.3781 5119.9817 5691.6978 5955.9465 4602.4068
DL-2-Hydroxystearic acid 2078.2072 9145.7330 507.7721 10259.4543 1278.4529 439.7048 1915.1995 1639.9286 2068.1254 5389.1818 1558.4370 1583.8942 11476.7253 7214.0400 2203.7412 11705.1036 891.0616 1269.6946 892.0896 697.3353 2701.2075 6352.3776 1890.2645 2147.6230 1274.4421 3303.5461 1821.5263 1514.2382 9481.5488 4224.6527 2222.4723 776.8800 1629.1355 1530.9693 1149.2406 1641.5122 66.3568 1667.0686 76.2084 1455.6986 892.2844 867.0914 2880.1076 2665.7932 3957.9868 4883.5271 4110.7484 576.8281 508.4002 96.7749 1953.3147
DL-b-Hydroxycaprylic acid 91715.1519 99497.4824 110578.5929 41695.0310 110151.6010 47690.9018 120505.4347 57508.3143 108513.3563 101179.4490 45241.7112 49457.5674 99540.1554 75875.7247 127880.9190 83305.5630 61092.3959 112600.4720 67986.8396 124190.0962 50267.0273 119073.1430 126695.1315 80528.1788 61463.4506 105898.0317 104912.2970 102169.4649 82816.0164 55148.8141 102730.2755 121298.4235 57452.5362 120257.6322 62127.1313 72543.0198 56874.5618 90892.0797 79913.1912 89438.0362 56222.7906 57017.9353 99467.7738 91452.7999 97422.5906 112733.1389 109629.7580 120961.4368 61918.5007 107666.5227 81776.0578
DL-Citrulline 1386.7982 1191.4369 1198.5980 970.1565 1630.5260 480.8945 1350.2603 1104.8470 282.4412 1322.1753 550.6830 1212.3272 1515.5631 966.3084 2276.3315 947.0553 1252.7428 860.0898 798.1888 1909.9929 820.0904 1338.1179 1394.3551 1497.9014 2273.7209 266.1403 1443.5462 1521.8483 1316.1010 303.5187 1235.2611 1930.8871 302.2429 1852.8062 1331.2909 1454.8101 524.4353 982.8978 793.8227 369.8540 373.7863 241.7909 1068.5901 1256.1339 1769.7938 1337.0859 1097.0889 902.2983 913.1699 1456.2310 1817.3307
DL-Indole-3-lactic acid 2630.3398 4986.2422 3517.1800 4986.4057 2722.7738 4565.7179 2509.0377 1628.6440 2074.6884 3142.9735 2901.3087 3308.5070 2040.8800 2545.0940 1587.9379 3069.1914 2501.2058 3670.4843 3547.8535 1900.1218 3392.7522 3367.3043 1876.0560 2050.1451 1241.4701 1162.6060 3158.5325 2369.9641 1450.4738 5656.4932 2586.0296 1248.5709 4005.8602 1337.2397 2135.8745 2953.0128 5351.3434 3998.1010 4003.1035 3178.8000 3008.4369 4500.9719 2778.6028 2221.5744 2395.0787 1961.2783 2379.6387 2307.6299 2836.3627 1158.0473 2521.9586
DL-Lysine 1015.5455 1552.4290 5405.8197 296.4403 1126.2881 1701.0055 1245.3510 1767.3476 5196.4409 2600.6660 3013.0300 1868.6977 2292.2107 2391.7806 609.0955 2376.7905 605.0074 398.1455 2017.5650 2630.2247 1051.8871 639.6779 2605.5069 2420.4808 875.3843 1596.1248 3641.7326 4658.4495 2530.8309 2139.4982 5276.3291 1054.8780 2156.6649 411.0908 2076.8740 2665.6615 1445.6877 2603.3908 2058.3656 1409.0689 5742.0483 1564.6216 585.4039 979.0446 1024.0275 7180.2249 1081.0848 17149.2802 1918.2707 929.9236 1383.5565
D-Mannose 9695.9355 7177.7753 10420.8494 226.2074 10572.8837 5176.3793 7962.2012 2463.4048 5709.2198 1271.6187 1325.5636 5003.8199 2457.7474 3130.7254 9822.1434 1185.1932 7197.1102 2300.8268 3533.0823 4065.2148 85.9399 11200.4835 14573.6631 7816.1737 1373.7829 17034.5026 6755.8994 8429.4250 5053.6060 4150.8453 4612.9798 3397.2033 4268.3589 763.5468 4373.8048 4265.9209 2183.6151 6166.9893 979.9013 1844.5116 706.6510 898.5138 4860.9034 1809.5438 4256.3978 4282.0968 2454.8238 15050.2017 2900.0057 3564.5931 11974.3262
Dobutamine 72961.0550 50365.9899 117069.7535 45950.1571 117946.1073 98479.8431 125169.6651 8338.8964 128238.5229 157462.7432 3583.7297 4866.1212 161167.2680 5139.9508 6097.5621 167281.4042 99498.7712 222022.3888 57492.6743 132522.8336 1688.2747 785.2770 77623.3223 2917.0992 102590.5821 87643.3509 140943.4864 922.5066 7538.2695 1489946.4200 198179.3153 112004.4793 178144.7235 124353.0656 120168.0367 292038.5620 361579.4744 54914.1241 3346.9753 1195.9204 186.8494 357133.4809 842490.7597 18212.8300 4686.6171 169354.6029 2663.0100 160089.9860 609369.7737 51115.9022 256.2823
Dodecamethylpentasiloxane 1591.3487 1786.2015 3692.9592 1353.8569 2923.5698 1999.0651 1926.6064 1425.7550 360.1309 3616.5943 1339.1364 1940.3862 1398.9890 2548.6696 1737.7255 1744.8327 1642.4992 1704.7907 345.4765 1130.5966 1617.6831 1558.2522 1730.4268 1398.7561 1552.6355 1395.9862 384.0261 552.2041 1342.7422 1614.6098 1507.0155 1614.4732 1617.9163 2081.5270 1570.5352 1173.6533 1616.8252 1597.6140 1516.3761 1312.2726 2231.5318 1538.8990 1558.9146 1358.6409 2948.4336 2481.8797 1536.0582 461.4936 1420.5127 1489.4079 1912.9714
Dodecanedioic Aicd 49568.8734 28943.6299 1597.8074 14102.7637 220182.5729 46979.9731 10441.3840 73702.6616 25770.2374 54615.6938 126078.0191 80320.8768 65689.0311 98323.1743 71016.7388 23684.0093 48547.5200 149052.4960 187281.2896 1145.1962 447228.1621 375487.2279 71.9194 39278.3082 19700.5112 29162.0812 405101.2154 59472.8653 14948.9980 12688.5232 6572.2418 36915.4602 32663.1163 144399.8190 20498.5993 63540.2149 30349.8216 9956.5597 65941.8327 245295.6878 480466.3055 18814.7425 559141.8466 66328.5173 571317.9657 92199.1846 1226049.6340 106248.0433 166079.9094 138849.8544 87560.8523
Donepezil HCl 22846.8921 9406.6685 12849.8276 15623.1485 14864.2402 12702.2720 15643.5792 22456.0545 18472.9650 14516.3323 357.8119 1636.8183 15767.8030 38280.7876 17191.2185 25853.2281 488.6047 7359.6991 42343.2947 19266.4529 202547.1794 18959.5376 26593.1243 25203.8153 25940.0733 20905.9258 25121.6269 34163.4074 20179.2322 10402.4590 23824.9174 18739.9018 7853.7047 18101.3802 16908.9719 12013.5958 15884.8839 22791.9289 26154.8940 35315.9599 26020.2558 49277.9992 29563.1339 11172.5490 11766.1123 20416.5215 17904.8557 16605.1321 216483.3306 14543.6190 4697.6851
Doxapram 12853.8507 14848.0859 1982.0512 12229.0024 4681.7836 379.5003 7612.0327 9164.1021 14316.9201 6530.0677 14594.8683 16142.4392 12611.2720 78825.9696 11176.6352 14090.0457 11713.5622 11399.6369 16939.9084 8579.3130 19249.9243 15947.9230 11310.9171 30195.5839 16033.6233 5035.1880 9664.5751 14941.3413 11200.3163 4038.2040 12278.5229 9745.4005 15713.3944 9196.8047 386.5697 19708.9406 9468.7898 13833.4249 19454.8208 10566.3840 365.1656 22913.6807 12786.7016 4343.3406 8351.6532 552.7913 5554.1014 9095.0099 14377.9267 7630.6319 9122.7831
D-Quinovose 81563.0647 82813.0703 85144.1150 86646.8157 88702.4563 88114.5418 87874.1491 83822.6816 84316.6179 96099.1335 85734.4174 91662.1085 83725.6123 83441.9631 89754.9561 89737.2448 81007.4347 83111.4883 79038.8856 84237.0409 82418.3978 82909.5451 97245.7541 89000.3092 88495.1758 85856.9345 83421.1717 87443.0267 83351.8938 87195.3204 86916.3902 84567.8329 87100.5540 89333.3520 87456.3469 95754.5401 84345.1476 96002.8101 100107.6738 95748.8957 88430.2279 88163.6848 81090.2047 87765.4627 95463.1924 86400.4153 84813.1809 90462.3037 100188.2348 86740.0678 88490.6844
D-Xylono-1_4-lactone 211517.4052 194357.2114 214175.1669 189720.6881 215645.8097 175728.3808 232830.2861 217877.1710 233939.1377 201144.0001 204381.0190 178130.6921 251712.7549 205522.9079 249943.3922 224076.2930 218955.3734 166063.0479 203484.1143 236652.4466 198751.4374 217567.1561 233376.9192 226323.7131 244416.1297 226634.4541 220608.3216 199953.9591 214821.0101 174893.6724 220562.5297 225386.1707 174248.6650 243731.1015 227281.4385 219300.1836 156847.9143 181983.4520 180677.2741 205335.2388 192079.0664 191357.2857 228447.1004 238937.5130 244738.2939 236924.4889 220738.2375 229487.5189 202256.0966 170263.6645 233047.2144
(E)-4-Methyl-N-[(3S_4S_7S_10Z)-7-(2-methylpropyl)-5_8-dioxo-3-propan-2-yl-2-oxa-6_9-diazabicyclo[10.2.2]hexadeca-1(14)_10_12_15-tetraen-4-yl]pent-2-enamide 15141.9601 31472.0576 29505.0233 12106.5927 20893.4650 14457.7341 1998.8964 17799.0029 31053.2533 22869.4814 25137.5869 16013.4358 36586.2689 7659.3241 20419.5756 15657.1942 14450.8808 29707.9018 19757.4669 26485.6916 17173.1119 22519.2660 9526.5046 21725.2256 16405.3577 7633.1663 32459.0815 8266.9896 12912.8472 35395.9907 8946.2068 18584.2704 19443.2059 20333.8607 13892.5516 42985.3930 12380.8429 17743.6942 17235.7856 19540.9172 17722.1973 14781.4079 7257.5415 12284.9754 16128.2968 13874.5551 24600.2539 33642.3982 22589.2476 5436.0123 28200.8225
Ecdysone 1030.8109 1064.8645 1247.9275 807.1224 2397.5699 1274.1333 1005.0335 1511.4278 343.8025 1477.4273 4169.3725 1103.5427 820.4943 790.0055 1175.4383 110.8867 710.7593 110.1841 2221.4026 841.5170 266.3219 913.7006 1139.0457 5038.8128 529.8012 1394.1356 248.6544 2932.0841 1192.0365 1728.3441 1440.8632 1203.4711 7220.8500 2159.9637 1290.1087 2090.7582 2247.2912 136.8027 5118.7832 800.8121 4190.2756 2805.7223 465.5776 2377.7171 1177.9364 560.8352 401.2175 122.6010 2106.5721 1463.1834 928.8453
Echinorine 4434.9315 91.2457 1807.5428 2519.4144 1722.9778 911.9491 488.3784 12673.3691 1068.4656 488.2318 5122.6329 1217.8277 2415.8830 6211.0676 1158.6260 1797.1224 85.1321 1188.3206 8026.7963 1001.5885 510.5532 78.9914 517.6881 6571.0942 1388.3116 9655.8393 1964.6268 10338.3578 12340.3386 1976.5404 894.5150 5074.3682 3659.7929 11869.8438 4429.7840 2634.5870 2345.9746 2383.2990 5973.9820 1442.4233 13454.8038 691.2399 2296.1879 3312.4480 447.8409 1077.2937 6391.3586 908.3493 5021.9634 9653.8923 359.2108
Elephantoin 501.0326 5066.5176 2789.4228 11987.2587 3661.1931 2772.4916 1661.0202 2840.9097 8836.4322 11825.3996 4187.5310 9106.5168 2987.5608 499.8082 10568.6431 2725.0058 401.1065 4900.1687 4371.8781 5048.0781 4063.4714 4153.9173 1518.3816 3219.4762 1535.0708 1472.9616 3871.7447 4424.5430 3579.4246 4276.4607 997.2267 2128.7825 4251.9496 1898.3173 3602.2406 3866.7982 4640.9944 4280.2966 3854.6879 3168.4897 3831.2588 4587.3603 4567.3446 4479.1316 4021.4424 3712.6862 4727.5342 4899.6316 3629.4924 408.2200 1910.4361
Embelin 7344.8771 7033.8762 6444.1717 7912.0204 7387.7274 6997.1511 7032.6299 6900.4460 5649.3928 6486.9034 6544.4332 7289.2969 7846.8263 6335.3504 7745.9652 6767.2325 7083.9350 7070.0911 6443.6694 7875.9189 7077.4321 7384.6228 6840.7088 5331.6735 7309.8890 6903.2707 7400.3209 5707.0760 6765.7197 6689.1541 6479.8546 7703.4192 6673.9634 7370.3146 6728.5733 6794.1806 6567.1867 6962.9382 6461.9704 7691.4389 6245.9742 7547.2239 136015.0780 7710.6115 7315.8149 6671.6167 6981.6200 6715.2142 6866.8471 6848.6603 7260.7349
Enalapril 6184.9756 3717.2818 4202.0563 28650.9773 4763.0768 1279.4070 15267.9170 40420.3406 2705.4641 9933.6291 18109.8266 91145.9248 546.2594 10777.6800 1290.2730 66337.5987 96.7339 786.6397 16426.9322 19518.4950 789.8513 1922.8925 18705.8245 1379.1861 601.2489 4724.3811 2511.2546 19309.2147 8286.8641 14107.0246 14965.2360 2481.5314 579.6080 5332.9485 914.8965 1272.7598 2586.6267 25059.5784 107173.2890 13087.8808 98796.7528 28158.3652 8114.2921 685.4772 939.9251 11357.6472 4400.0430 2337.4745 8703.4594 8689.1654 10389.3265
Encenicline 2649.5350 1586.0931 1565.7667 1826.0502 2726.3671 1834.6711 2391.4298 2816.3290 2709.1707 2163.2968 1985.8207 1927.2334 3464.4754 2045.2962 3872.9133 1677.9555 3124.8078 830.8522 2052.2189 3363.3235 2004.5879 2376.5507 2887.0090 2653.0619 3361.2563 2177.8481 2551.5515 1925.0153 2266.9677 1323.4743 2344.6404 3173.1949 1374.7993 3294.1069 3125.8631 2619.6148 779.7783 1549.3049 1495.4882 2226.7879 1868.0451 1676.9711 2445.6825 3412.8256 3511.4826 3562.1602 2362.5305 2252.4406 2226.1763 806.0432 2925.4052
Endothal dimethyl ester 6707.2627 4609.7059 2141.8137 2406.5930 1069.6974 1701.6489 1912.7310 2709.0642 1078.1542 1824.8895 403.5138 384.2465 2543.5652 3136.2344 2029.7277 3810.6251 1601.4380 4870.3136 4273.2545 1952.9722 944.7600 2710.2827 1791.1525 206.1336 2589.8492 700.5526 5067.0170 3176.8030 1098.2012 3280.0280 2411.6659 1058.4024 3393.4746 3873.0199 4450.6956 3888.9488 5405.1143 2800.9174 3592.3630 4186.9687 5683.3882 4127.0997 3882.3555 2669.2954 2033.6299 2299.9699 2477.2223 1384.6328 4080.0934 785.5146 439.1891
Enterodiol 2457.6795 1529.9335 530.1185 150.8521 6926.1434 2443.6276 3843.3725 741.2919 1611.5020 7781.9130 4759.6772 3566.3916 9099.9003 548.5052 16378.4375 7794.4168 2252.4332 5361.2654 4342.6947 3548.3295 1040.3754 2099.8303 131.5200 6290.3255 6048.5629 441.7229 760.9501 683.0766 861.7046 422.9566 1064.7865 1464.0683 4339.6051 1627.7900 1240.7295 66.9969 1253.2445 6492.5228 829.9445 583.9592 219.5025 936.4895 4478.3268 1012.8535 12362.3188 566.3344 220470.9665 2043.5470 3048.8984 848.3805 2313.6995
Epigallocatechin 106001.8199 15479.7955 11679.9913 1060.9816 360442.8416 165.0112 2967.8072 7486.8510 38176.4892 65021.8275 13965.0802 5832.6191 24049.2032 8231.0837 122.1285 19166.1662 81904.7487 72261.0228 97646.9347 1961.2473 91366.2779 90490.5038 3227.0482 64400.0694 37374.4681 2852.7138 815.1913 4835.4668 3537.6195 16457.1449 15889.2542 29981.9443 1206.9320 5715.8790 14558.9985 622138.0667 342966.9380 11680.8053 102.8184 75589.0951 48870.8684 56186.4906 93689.6954 94596.5114 69907.2488 1323.5803 14432.9047 4432.5344 131965.3605 63841.8461 5915.7800
epsilon-Rhodomycinone 1807.2449 1896.0643 1801.9839 3418.5440 1779.5104 2141.3035 1928.0789 833.5723 2209.3106 1003.5087 1675.8395 4067.0234 1417.0390 3696.1696 1653.7929 2027.2872 135.5930 1542.1236 4055.7667 1809.4052 1398.6410 188.9605 1695.2774 402.4908 463.6467 2295.5711 2267.0675 5519.6059 2328.3262 3544.2514 120.6783 1810.7055 2001.1578 2111.3759 1836.4129 2972.1574 6180.1567 1497.8682 1823.3244 952.1826 6358.9348 135.5960 3878.4107 3903.4745 1891.7445 2019.5492 2031.7838 1884.7754 3544.9909 3030.4816 1758.0311
Eremopetasidione 14350.1202 12551.6336 14566.3058 12860.0741 13645.1661 12528.3944 15782.8104 13419.4555 14479.2910 12096.2291 12906.6501 12314.2438 14767.0849 13074.7495 15667.0963 14406.5758 14863.6904 12869.1395 10741.0046 14741.7450 10653.6769 14569.3270 15587.2826 14041.1124 14865.8548 11823.5459 13247.8630 13035.6458 13306.2939 10668.5037 11970.1092 14915.8578 10826.9326 13932.6267 14254.0851 13460.0720 11215.6860 12031.6542 11129.3989 11886.4526 10134.2356 11026.4334 13068.1043 12339.0680 16466.9181 13915.7776 14055.5025 14636.0793 9428.3102 11545.7490 13223.8937
Erythrose 50961.9488 164257.0365 145636.8849 108751.9870 314817.4935 45408.5467 144718.5347 29118.0386 98063.8517 35047.3427 10030.5770 77203.3993 196939.6750 31259.0214 160793.1466 271742.3588 261738.3162 170416.5473 24500.4805 286582.1584 46633.1141 50662.0530 53039.3265 84336.0681 51775.4586 12976.2731 105243.1945 73214.1044 6208.7143 48018.4747 37356.3726 72817.4411 48875.7873 33211.4835 215797.3677 59947.7999 9081.6034 139356.3915 31891.8801 110869.3753 8561.7661 31275.0915 33337.2318 104115.5679 202874.5966 87607.0390 41351.6841 227511.1593 110058.9688 13734.4436 106841.1577
Esculetin 16110.4726 5627.7842 5768.4309 9503.2693 21024.6522 9804.2405 10098.4650 13713.7516 6623.5814 6782.4039 8259.0096 3891.9726 13632.5215 5086.0166 14481.6468 16593.3537 5955.3237 6511.9963 3172.9462 15089.7075 4306.6361 3166.3412 5597.7197 16015.4704 18344.0087 16193.2059 13470.2648 8499.8277 36025.5612 6446.4820 14057.3795 16898.1701 15041.3157 77445.0234 10381.4763 17057.0658 11968.3781 22299.6630 14166.4015 19950.8945 15847.5178 14681.3448 53866.4133 57010.0607 9740.3962 38038.6435 11210.7512 13779.4937 10461.3065 12788.3611 11119.0710
Estradiol acetate 955.7469 3514.0194 1211.2967 1153.8936 3055.1855 2094.1050 1367.3277 3673.2374 6252.3323 2490.1911 389.3395 370.6212 1706.2785 5065.9024 2202.9456 2310.4149 1664.3185 127.0496 3616.6369 530.4170 14971.6479 1602.5024 644.1844 7021.3648 780.8618 2769.2053 2256.0807 3416.4643 3778.2129 4988.2893 10176.2139 3425.5762 3542.6557 561.3797 3732.0460 2408.7605 1860.8972 4669.7845 2125.7434 1967.5242 3292.7486 4583.3932 7025.2837 937.3270 1118.3923 7770.2365 3968.4667 3094.9683 18048.3933 2936.5974 2881.0130
Ethidimuron 15140.0899 4584.3435 37796.5883 789.5666 17300.7449 46050.0887 17477.3796 55634.4725 30019.3991 6783.3047 61987.7421 32583.3727 17997.3947 12491.2078 7360.9089 8495.3507 4923.0607 17239.7505 16805.6359 148.1584 8931.8371 15813.0576 40575.9009 8122.4833 24706.1361 26325.8204 18946.8965 19824.3479 52311.2600 6357.1989 13727.9651 48379.2244 32899.8803 56456.5213 15403.4801 32451.9162 12424.7671 7916.6054 26076.8076 18711.9808 57076.4530 6458.8608 19741.9994 23824.8378 5966.8781 9103.4989 52112.2912 4731.5123 26929.2794 66338.5297 4705.0706
Ethyl 2_4-dioxohexanoate 1940.3947 595.1959 2241.9569 1694.8343 1549.9154 2303.4687 2349.9592 711.5653 5193.8400 1594.8669 3186.2967 2126.6178 224.5517 3712.4293 2605.1860 1809.9589 1864.0992 869.4384 1502.8476 2119.4338 1568.5166 2638.4264 2382.4014 653.7154 1688.4817 811.1690 2620.0599 223.9382 2221.6896 1709.8578 2329.3758 1044.8926 1328.2978 1801.2758 1797.7293 1166.2985 531.7544 1471.5172 280.4932 1178.3175 1338.6732 1209.4908 1752.9423 1021.8429 4619.6362 2394.4060 6055.4838 2302.8507 1365.3216 1634.9730 1740.3999
Ethyl 3-amino-4_6-dimethylthieno[2_3-b]pyridine-2-carboxylate 327.3131 286.7661 1708.8331 1561.6648 3293.5881 712.3967 349.0785 552.1454 861.7050 967.8041 10183.6038 1309.2647 1078.0017 830.6002 578.5088 8995.4001 776.6444 844.8666 1070.6543 1580.6298 2780.4417 1675.1280 1340.8112 1873.4281 2430.0265 1732.1522 129.6857 3404.7198 1665.7727 3771.5459 2071.0372 1117.4879 3055.1168 580.2902 1335.0677 505.1488 2611.2948 1586.1147 2594.7844 163.9908 1948.5831 6093.7038 1605.7632 1142.5145 1811.1350 1219.3072 1778.1890 191.4437 2149.5241 315.8260 161.0929
Ethyl 3-sulfamoylbenzoate 2601.0873 1353.8328 1074.6801 1567.5196 1693.7085 1563.7996 739.9922 2696.2158 1958.0016 1506.8223 2193.8045 2042.5227 406.5207 1469.8339 1236.6041 1169.6175 1303.8965 953.9104 2454.3067 1391.6735 733.7314 291.1410 543.5032 2499.9347 157.4933 8623.9930 1422.6634 2156.6319 3760.0138 1603.6810 165.5512 1895.8554 3681.6992 1828.2449 2247.0526 2111.6676 2973.8019 1351.4543 2180.6817 948.6530 2994.5301 161.3989 959.6326 2655.6109 1371.8787 623.4701 1356.6967 1394.8441 1636.2215 3529.9756 935.2964
Ethyl 6_7-dichloro-3-oxo-3_4-dihydroquinoxaline-2-carboxylate 525.0430 4331.6727 1118.8625 2789.5767 5903.2350 934.3497 1042.0693 403.7146 2212.5037 343.4845 1368.0700 216.5380 4834.3406 1257.2869 54.1389 5931.5480 3316.3918 4016.7378 81.5488 3749.6966 302.5809 938.5250 626.9727 1317.3714 768.5394 1702.7492 2471.0880 841.4304 1197.0199 748.2661 451.6304 1103.1468 676.3277 358.8066 3725.7400 1112.0735 1239.9519 2602.4371 233.1191 1788.9719 1088.2821 453.1663 248.5874 2332.0504 4602.8646 1586.4088 327.5512 1244.6079 2403.5097 1480.7586 1447.0627
Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1_2_3_4-tetrahydro-5-pyrimidinecarboxylate 516.0385 369.7710 2701.1385 2312.0637 3075.3131 4188.7419 426.6153 3030.3571 2642.5219 2381.2578 5993.2955 1383.6260 2782.6838 2490.5621 3246.7924 2722.4115 2342.0848 2671.4095 3012.2730 2555.0191 2375.6316 2890.8024 4856.0110 2835.8338 2884.3861 3372.8149 358.8573 2982.4793 3814.0308 2479.7143 3680.4038 6287.5043 2736.1082 7855.5498 1717.3954 2493.3030 2635.0348 2208.2769 2742.9897 2265.0054 2831.5569 1272.1266 2554.7171 2907.7177 1779.5162 2928.2108 780.9347 3154.8743 2848.0192 3444.6710 2094.2960
Ethyl 7-bromo-4-oxo-1_4-dihydro-3-quinolinecarboxylate 1142.2116 410.6485 143.2306 188.7475 391.0386 338.2187 551.4954 307.1546 288.5047 424.2877 400.7340 138.1096 296.1693 570.2067 983.0334 390.8416 126.0893 357.4541 158.0298 1413.2695 156.1146 476.7417 720.6580 866.1825 821.1432 748.9655 523.6188 492.5905 785.0447 386.7489 360.8608 947.8227 151.9699 630.1791 1319.5757 249.9261 387.2490 810.7792 366.5599 413.8282 164.1216 368.7064 163.8497 483.2878 630.2976 927.5570 1916.3055 1815.7490 139.9028 897.0349 576.6358
Ethyl furoate 15564.4401 191547.1117 125776.9261 43039.6015 27671.2970 44240.9837 18372.1161 24020.5957 179940.9110 76190.7860 75038.9463 32140.2820 100694.8477 81842.3801 27306.5517 23707.7870 49794.4825 47780.1579 53269.4721 16973.9136 394558.8009 131112.4423 14434.5262 35655.4024 12644.2219 3776.6313 142269.8971 25094.9334 34020.5428 147444.9875 132276.7078 5047.1692 15049.8948 83279.7061 27315.0990 28013.2161 100666.6569 39079.6453 107518.7747 127637.4825 48752.9524 43835.7358 29747.7229 17702.4393 44334.3278 116238.4239 42552.3886 41590.3686 43815.9931 1382.1907 212449.3530
Ethyl levulinate 2348.8294 3040.1249 233.7672 2994.3116 2963.0029 2887.5278 2463.8783 11120.8150 461.2706 1615.5569 2910.9325 2986.9832 3020.8751 7701.5846 2992.9998 4614.7590 9559.1045 1944.7116 5252.4399 3356.2585 5964.9719 3052.0296 2860.8188 2875.4212 2420.8556 2278.4800 1015.3405 2098.7599 407.9534 2532.6712 196.5610 3278.1451 231.3628 3443.9773 1312.8966 12754.2425 1205.1699 3687.6078 1398.7910 1658.4307 3784.7850 958.2017 3185.4847 414.9025 3024.6194 417.2421 2731.8990 2761.8151 3147.5606 2921.9036 2872.2541
Ethylmalonate 6646.2267 23311.3894 9795.1028 36414.1625 14025.6925 11198.1220 5120.6413 144912.5242 12419.3029 55650.2059 86195.4240 23456.0567 9677.7638 62760.1832 7565.3646 5475.3129 38956.6101 123351.5098 38414.1550 3126.4269 69020.5210 13831.9540 10549.3175 20799.4117 20480.5044 31009.7837 66769.0329 20563.4401 13775.4350 19609.9729 14963.2282 9886.4774 80454.9524 44733.8211 26378.1261 102034.8625 220849.9006 46375.1048 3690.3299 4670.0895 217515.9718 39990.7519 6623.6103 181740.5212 18642.8937 7424.5394 9082.6174 3699.3495 1245.0363 75574.3502 14291.8836
FAA(17:1) 6626.7661 2341.5186 5270.2586 6407.4105 9146.0096 5946.0644 5329.1913 2764.9749 7379.7970 1085.7630 24902.2825 6065.2463 1107.5844 251.0410 6114.8679 819.3013 4929.5558 2965.1333 11693.3213 6774.2996 3219.2769 5506.4516 5889.9603 22997.5449 43202.1090 6832.2653 5260.5881 15283.3247 8990.0502 6536.2409 8517.6150 6809.6952 17331.3348 16129.1061 1816.4394 1577.6274 4864.1130 9286.5432 24006.7389 4763.9703 8387.1086 6929.1931 5267.8496 3407.6645 5225.6594 5867.6732 8032.8569 7077.4501 2685.8321 8085.6593 5934.7214
FAA(18:1) 33201.2658 20062.4109 16046.2805 47151.8565 25362.3144 17707.6426 41444.6908 39929.1102 22268.3673 47343.3624 41596.7189 23612.8939 103194.9050 79725.5944 30896.9402 33325.1863 50164.0468 53193.7822 27491.2609 52946.8725 12511.6093 25913.3397 14219.1978 35470.9732 34268.6950 31881.7292 44413.2963 58265.4706 73164.8918 17484.0888 70334.6789 35931.3643 21616.7298 21804.0308 13995.5139 12341.8944 32311.3959 58626.8112 46530.0179 46663.1526 24203.0936 13818.2738 63037.3758 20898.6005 20333.1483 36052.0529 52431.4286 45343.6181 17636.7474 16275.5462 51706.9791
Febantel 626.5146 300.6589 753.5924 789.1528 3916.0880 1660.4679 791.8840 1596.4931 84.7602 264.7387 562.1315 953.4816 293.9573 587.7210 301.3496 345.8616 526.9703 458.8124 626.2018 889.9290 76.9752 688.1323 517.2717 190.8002 709.8788 977.9366 397.6933 885.3867 462.7976 193.2517 1141.4005 482.2090 451.5049 190.5731 556.5961 658.1801 281.2898 930.2929 452.5847 566.3338 464.3863 250.8594 2226.4738 81.0317 76.2215 5189.4590 258.0388 2177.3319 430.9964 323.5060 394.4825
Fenazaquin 1725.4199 1509.1671 1833.3180 1966.4851 2084.5049 872.0216 2208.1840 350.9057 1368.9026 1186.6098 652.1560 2682.0968 1788.6889 310.2410 2247.7454 2794.0660 1565.2475 1475.0309 1613.1220 2545.3974 293.5035 1482.2812 3859.8481 1072.2872 275.7436 1495.8887 613.3863 4032.5667 1632.0921 2790.1860 5950.5996 622.3227 1927.1933 544.7013 353.5499 1533.7722 2218.4192 2659.4826 4128.1064 1469.6039 2149.0532 1478.7957 2012.8379 303.7871 2695.4271 17417.8302 278.7787 1502.1893 984.3695 312.4224 978.3132
Fenoldopam 93437.2322 77077.9703 91119.0100 75299.4219 90256.5528 84350.6831 104961.8429 88834.2049 89215.5408 85655.8691 80301.5472 78443.2664 95981.7922 79352.0986 110408.3484 96496.6004 99233.3862 91856.9961 64195.9195 104285.1039 66746.5429 95750.7762 106611.7016 82169.6830 103724.5768 77304.6906 84113.8767 83655.3534 90142.5701 64579.1585 78456.7427 96897.8120 65993.4381 100974.4703 95401.3033 85450.7121 62675.5699 83041.1027 66073.4233 74597.5976 58340.4222 71561.8542 88140.5919 78626.4407 114601.5240 95263.2112 90566.6527 97984.6064 51541.5651 79115.3446 88010.8927
Fenothiocarb sulfoxide 6373.9150 2168.1982 1451.6912 2005.6211 1410.0022 3270.6232 5661.0689 11461.6753 322.7739 1933.6731 1756.2172 4158.4714 1949.1848 3650.5791 3636.1650 2981.1008 2589.9644 321.1431 269.6394 2933.1656 1088.3151 1871.4751 7640.6970 2206.1635 493.0019 8141.4693 1991.2787 324.5728 11133.4527 2074.9004 2533.8156 6127.1795 2003.8041 1706.0236 1167.9417 2028.5171 419.6556 2371.3976 1802.6993 1990.2500 5096.6781 1654.9855 2352.0975 1110.9039 2885.1601 2452.5864 2480.1701 1206.3304 277.0979 5578.5388 3173.8797
Fenpropathrin 3027.6360 469.0774 430947.8805 31665.8334 28114.3357 1102.2851 19207.2333 30915.9427 17768.7564 730.1933 597.2955 9702.3278 8251.1904 25249.7615 649.8304 64993.9674 46917.7062 46223.9312 22348.6119 2225.4252 17932.5692 1391.7809 7754.2152 43942.2655 23000.8684 64231.0521 21359.3593 5587.6468 7286.7306 2929.9053 8493.5143 42456.6474 29722.0892 24642.0276 54381.5336 22140.9989 2525.4469 42376.4963 25563.8222 24191.9088 16258.5984 19371.9518 24836.4406 25020.2872 25824.7881 5791.2723 1567.6625 91720.4234 21062.9996 43696.3504 20296.6940
FFA(12:0) 192183.9255 959.3475 415.6378 2396.0396 549.7633 421.8048 1042.8760 1825.8706 1190.1656 65830.8349 791.5470 1186.4604 245.5931 393.7917 1204.5901 1084.5855 1620.8988 2068.9858 3468.0348 1228.3930 3107.6139 505.1653 873.7696 1166.4101 668.3321 1826.8112 1558.5321 3154.7551 4585.2758 2160.3139 454.6070 765.9908 10290.1031 2276.0151 1285.7132 2598.6854 5032.2232 882.4231 3864.3373 5559.3709 9305.8489 669.5422 5023.6665 2073.5293 726.0703 276.6850 120.2502 765.9026 6716.4144 1295.0848 525.4479
FFA(14:0) 11870.4800 3361.1977 2286.8733 4544.7678 505.3664 1038.0721 2053.4257 3741.3985 1315.9635 5911.5642 1714.3173 1549.8915 1391.5680 1815.2318 626.0395 1404.8985 3152.6089 9086.6394 4728.9813 601.5337 3795.6305 554.8038 427.4319 2177.7941 1772.8698 2959.6733 6163.9786 4654.0761 2475.0889 6729.8218 360.4667 326.0098 8086.9913 3304.5266 3392.8827 3895.8507 5060.7721 1612.8267 2487.5283 3357.9402 8141.4411 2082.0226 4034.1934 2537.8369 973.9388 1025.5505 667.2127 975.8296 12037.4779 3378.4987 1296.5000
FFA(18:0) 464522.5147 148860.2148 1149940.9300 173990.4550 625593.8988 241591.4442 214241.1652 211880.7945 235509.8445 420183.5832 933348.7067 284719.9933 387804.7235 236219.7853 98430.5915 99369.9113 339667.5094 412704.1454 446708.5599 639120.6909 563226.4047 995575.9134 371536.9920 529202.8447 552194.0066 164305.9187 43846.2625 552139.8580 243712.3641 6606.5696 2534032.3800 830936.1693 119266.4980 477185.4933 428466.3109 204382.2195 326879.7390 586919.4264 781312.0286 790019.9189 514103.0621 310764.7904 1414569.6530 1115784.0020 350235.2247 1023338.2520 465086.5747 221047.6552 349694.3884 559439.4005 239704.8989
FFA(18:1) 9899.1923 64283.5459 626.1006 95765.2799 1130.5167 697.9884 10732.0102 3053.6872 8091.4978 59197.3628 20728.4831 2339.8763 48833.0794 57389.9915 17067.2462 31759.1765 5473.7900 6635.9167 12563.6765 5841.4894 34569.9646 23736.1376 311.1665 2120.7793 8459.9052 16799.2847 24788.7151 5382.6137 29321.1878 27894.0764 10967.3195 10716.5227 1232.0998 10779.7138 7236.7601 5888.5180 2235.4906 8424.0923 5586.6369 32619.1041 18634.4657 18890.0815 60151.2191 25353.9724 52176.0614 26863.1188 46936.1207 1529.6404 14143.6834 6901.6519 2962.2890
FFA(18:2) 9771.0675 10219.6477 1142.0969 9860.7420 2262.5080 701.1472 10913.1738 2311.6428 3165.3547 10750.2984 7186.0802 5471.5786 11164.7816 102535.1934 16928.2889 13195.7316 6140.5151 7075.9637 5972.1778 5515.6943 11743.5722 10936.7607 618.2898 2472.5121 2184.2087 12920.8282 13562.0098 7422.5187 8084.4052 5337.0868 11702.6745 8109.1613 1542.8759 8406.3735 2343.9263 8455.4044 3020.9114 4696.8930 4591.5242 5471.4593 9520.2354 4855.9587 13253.2239 5269.8473 10967.4129 7577.3519 36935.2160 5129.5551 6198.5678 8166.3747 3225.6532
FFA(18:3) 15494.8785 2677.7220 327.1997 958.4457 2222.4963 231.4795 10015.4438 2134.4534 1626.3718 8917.8000 3130.8529 2209.0352 7915.8462 42789.7309 19471.6470 17543.4316 1747.4171 7622.8449 17517.7722 3960.3589 9538.4945 8129.8406 280.0242 1069.1064 652.7191 4747.3244 15757.6294 3821.0539 9041.2303 410.4902 4545.2836 5648.4495 2493.0989 1662.0091 1886.4684 1485.4060 404.3307 3943.7134 1357.8231 1512.6987 3692.8652 943.7061 3524.5109 725.5123 16870.3067 2899.0962 21424.8027 5546.2795 16308.5994 5134.9208 4059.6322
Firefly luciferin 62024.8784 53524.1561 58273.4277 54493.7681 57550.8749 49850.9684 65276.7736 54085.3286 61390.7004 52782.8282 51960.1096 50575.3520 65739.2864 54876.3625 66107.3567 64172.3552 64462.8638 56267.0225 48398.4000 61434.9250 44589.9921 64576.4744 65824.7556 58717.3207 62145.6470 51125.0479 57891.3531 52008.4867 58593.3641 38866.5491 51913.7129 60705.8352 40320.2093 61321.3581 60348.0137 57522.9009 40706.7824 51122.0778 43433.3509 50424.6035 36733.5288 43726.0754 58462.9431 62372.6992 68969.0092 62573.7128 60269.2978 63368.9657 42214.9087 49215.8524 63761.2956
Flavidulol C 1672.8979 4851.7258 3632.7378 757.1672 4258.9003 7794.2279 22652.0435 820.0004 304.4343 3384.5692 4220.1769 3720.8750 7059.4603 1474.7790 1114.3649 278.1220 7347.4552 27363.9311 4796.8163 1301.6708 1496.2874 22899.6369 8515.0327 6029.8366 314.8329 394.3098 9318.5335 3919.6703 28516.1662 12561.8693 6386.5620 27966.8983 2139.7471 6307.5852 7072.9199 181.0565 929.9485 35439.5769 2589.9907 6360.9078 4522.5785 105.1751 119.2821 162.3671 2748.1641 7133.5711 2858.7940 1920.6894 5778.8249 5586.2927 3737.0104
Floctafenine 1873.3791 1454.3950 1539.7714 1483.0464 2044.8111 1449.7532 2403.6456 1958.4386 2138.2364 1868.9531 2053.9385 1485.2466 2191.8857 1838.5275 1971.4536 2181.1859 1902.9909 1965.9923 1500.4110 2124.8724 1926.6814 2158.7165 2188.7992 2240.3892 1852.2495 1819.2057 1797.5309 1922.7895 1817.8040 808.7180 1930.0315 2305.3050 1185.9950 2587.6893 1674.5873 1760.0771 1103.3313 1544.2430 1409.9467 1685.8026 1190.8350 1416.8070 1876.0284 2079.8728 2068.7299 2093.1446 1910.6501 1966.5348 1550.0883 1715.8113 2139.5010
Flunarizine 1085.7988 2223.3217 348.2056 2848.2948 696.3263 109.5149 1359.6672 288.9182 1154.0911 1866.5833 458.7118 1236.1954 3020.4442 1695.0329 1480.2309 3222.0154 792.8151 873.0714 190.0946 558.1442 951.3579 1855.9671 809.8751 836.6183 1032.2304 1526.4757 1147.3285 522.2142 2730.1426 1425.8529 1260.9651 694.8783 753.1324 1032.7191 935.2229 883.4222 625.0421 782.7294 95.7029 938.6689 458.7564 470.3236 1399.0568 1030.3506 1954.1380 2096.4712 1143.2877 531.8434 418.9114 89.5269 1147.4489
Fonsecin 532.2182 9258.9956 6187.5208 16976.2399 5248.3916 7688.1125 3147.7222 4330.6350 685.3395 4511.2313 7768.1502 14944.5575 3789.6991 13391.5407 1951.5959 6390.0718 2762.7792 6905.8136 20836.8319 4624.4649 7269.5231 1757.8266 4339.4325 2802.1442 3362.2258 1052.9441 9521.8016 25749.2773 7223.9950 17097.2113 1170.8482 4708.5664 7955.2394 6063.9876 107.1880 13457.8888 30922.9965 3875.9273 7212.5445 6521.0065 31973.1443 3561.9659 17790.5386 19415.0009 668.4229 6007.5598 7494.1144 3465.8943 20843.2668 14148.2581 507.5592
Foridinine 8625.1575 20285.4305 1318.3127 6377.8847 1209.4756 111.2760 4673.2046 2471.0681 7502.7602 20091.9079 10074.6643 5487.6260 7819.2590 1587.1667 2090.2276 551.2658 7128.8819 7035.0280 31980.9535 5657.8936 56355.3394 1347.1557 4785.4551 9356.0491 13521.6396 5217.5436 20440.7419 3986.3657 659.7050 8827.0271 4699.2513 97.7833 10344.1039 4756.8709 15252.9804 23755.9782 17494.2968 669.2940 23749.4774 22566.6802 33480.7798 39301.3714 24124.5223 19617.9855 937.1223 3576.1553 134.8549 824.2800 130270.1350 33931.5360 7650.9594
Frangulin B 736.0982 782.3738 770.8940 810.2999 804.4850 815.2347 861.6891 731.6235 611.9323 1060.4891 946.4609 634.2880 744.0974 763.6686 627.4426 919.6053 766.0837 664.7541 515.0883 745.0452 138.7146 571.9982 750.1233 846.8857 918.8120 2400.9392 691.8655 546.6714 719.3645 839.7386 939.0040 677.2823 991.6633 910.1742 628.8772 707.2753 733.5709 822.5700 709.9326 922.5215 646.9213 505.8534 1002.6222 1047.1170 646.6416 1034.7190 767.3444 887.9706 720.6624 935.7364 933.4326
Fusaproliferin 933.3688 11658.1502 9438.9552 8713.9192 8539.2182 9511.0052 14997.9180 17354.9284 1018.2299 3395.5251 438.2316 8801.5279 10190.6029 11503.9183 10911.9639 447.0249 5586.2983 2358.3685 1390.9797 9316.2930 13156.9577 9240.7512 11565.7345 12397.1970 10954.2797 2887.6340 1200.4711 17217.8679 3448.3892 2574.9058 9748.2344 9239.9893 8677.7773 11154.1904 1066.5386 81611.1816 211.7426 890.5437 26486.0381 41481.8119 26582.6611 2718.0211 16382.3552 2321.2168 9419.2278 849.8748 10409.3039 8111.8730 409.6744 2829.3335 7848.1757
Gaboxadol 179022.5155 204964.2039 192560.3859 243870.8668 180076.7190 181077.0394 188637.2562 177855.7882 195102.4456 189784.4382 181445.7965 162524.4909 235204.4322 204302.4057 185041.6193 199613.1461 219278.5886 194292.6504 197829.4434 222949.7581 182674.0343 203567.4247 85731.8415 200020.3178 180614.5218 180764.3782 191289.4189 186123.9901 172113.9187 168323.0141 198415.5264 168711.1078 190278.8442 191420.3971 213224.9963 187113.1525 163362.0108 173958.7788 176246.3411 187680.3679 155329.8474 181842.9579 189447.0748 213593.8595 230131.4013 205340.6614 207876.8176 203411.2692 195372.3690 177279.4911 198861.6246
gamma-Muricholic acid 1169.2869 11.9140 8622.5240 51.9608 9.1881 17208.0970 27817.9931 62.1674 12329.7580 76.1342 127.1950 1475.8569 161.6485 101.5485 114.1554 4.3702 119.8855 347.8970 34.3873 6951.8273 87.0432 177.9167 15459.7970 89.8792 110.8605 705.0218 408.0919 34.6295 17457.2354 115.3118 23054.8881 1698.0882 324.6772 13.1722 153.8265 171.6814 21.7741 1703.6718 31.7781 120.8996 283.7664 5.0322 40.6752 4.6734 28.0038 23.9277 22339.9070 10859.2376 5.1339 753.6101 1828.5782
Ganoderol A 214469.7916 224939.6729 199692.0904 210793.2240 218071.0878 224399.9537 223230.1379 212668.4770 205395.4687 213290.4525 209764.6811 214566.6064 204997.4948 189352.5481 225408.7442 225882.7892 215000.4559 210654.7670 194938.1707 225453.3449 209935.0988 209863.2960 222916.1188 208084.9571 224714.5344 195437.2049 211107.3174 202114.6368 201967.0216 204970.9584 209707.8963 217558.7337 212998.4892 218546.7569 217644.8300 202625.1953 191524.0029 201809.3705 207614.3480 219563.0377 213147.7060 225427.1696 208025.8533 222440.2428 223000.5877 213588.6153 211182.9113 220568.7686 197056.5018 212212.3241 222570.0965
Gentian Violet 858.6090 242.5964 914.5601 953.4959 751.1390 984.2509 1041.1168 807.3445 405.7163 251.5530 1853.7468 889.7281 1655.0041 819.5761 958.5074 1432.1805 134.6496 980.6172 325.4197 1223.9521 131.4044 1450.9927 1049.7974 835.2048 795.3569 837.1857 1037.4584 1017.1584 135.8065 1772.8465 1036.5192 134.8598 1234.6184 2014.6317 802.5761 713.1685 903.1338 1243.5079 786.0498 158.6811 2067.7898 245.5164 938.8238 763.6262 779.7027 2229.6188 1267.5605 1015.1253 124.8340 699.0012 849.3611
GlcNAc1-3Gal1-4GlcNAcSp 11510.5179 9945.6959 5769.4031 7859.0788 9972.5837 8546.0880 10905.4814 13306.6843 25491.7579 10090.1454 8017.9143 7296.6792 8577.4532 16043.1755 8783.3435 3908.6248 7030.1642 7786.6712 10065.4180 3793.2956 9244.4935 11915.3005 8493.6383 7665.6692 9697.6286 8195.3928 6977.6459 15095.0208 17066.9565 307.9489 9311.9886 15140.9409 774.2117 8294.7691 9573.3435 10563.8873 10514.4808 14197.8416 9446.3704 9580.7628 9632.7532 10041.2242 10461.8428 9641.6317 5356.3492 17792.3687 14703.6749 16025.0963 9660.4405 9799.4374 1703.0877
Gln-Ile-Ile 4636.2598 1875.9944 837.2212 613.2645 1449.7014 1589.1629 1512.0151 1731.1222 2577.3383 2812.7519 1255.2054 1561.0038 1514.8532 644.4459 827.0534 2462.8230 1427.8783 1390.0978 406.5373 848.9139 1148.5787 1064.4482 1462.1648 1612.3413 2894.5738 3172.3557 1234.5346 1430.3849 4377.1193 1407.5872 2174.8236 1941.1750 865.4031 854.4547 1219.6690 853.9294 1245.4755 2904.3288 609.3696 1951.1188 736.9053 329.7475 1480.4057 214.9451 1384.5388 895.4844 1593.3112 1622.9135 1299.8039 1485.3911 1398.4357
Glu-Lys-Leu-Thr-His 3108.4075 274.3086 456.8097 1441.6911 1158.3525 1832.7683 1850.9880 4900.2403 2806.6308 605.5410 1270.5912 1968.9320 1798.5866 2468.8565 2664.6925 2246.8515 2362.4218 1800.9375 200.9985 2399.2724 1589.1289 1575.0079 2375.8186 10904.7245 2527.4317 7858.5008 1645.0153 2126.2365 2757.4195 2157.4764 216.2273 2495.9532 3632.5070 219.5121 446.6751 575.8993 2152.7394 1572.6722 433.4204 213.7858 490.8669 1728.9178 1552.6760 1030.3163 3241.4618 2396.0199 2884.9167 2479.6648 259.1175 2315.5690 4458.4490
Glu-Ser 56218.5903 29521.9434 73792.8454 1317.2171 42562.8495 103403.2959 103574.3411 47339.3691 9716.9831 3629.0461 27858.3602 481976.7587 44071.8066 268.5010 126443.7757 50407.8040 53114.1973 127307.4185 216.2667 70331.9164 999.2949 37058.0840 78522.4532 27121.6602 57271.7484 26090.8307 39452.0109 8364.5695 3269.2928 23729.6253 58304.3815 223.9818 26698.2861 10156.3280 55215.2480 28723.9761 2230.2231 2701.2770 3802.3057 820.4753 13926.7527 1181.5515 1423.3832 50991.1293 90566.4854 45512.3832 36505.0664 104374.4012 39204.9248 272088.5698 932.0193
Glutathione episulfonium ion 22096.5536 6214.6941 30369.1801 94115.8092 12874.6918 70889.1405 26953.3099 19450.5233 446.6594 18160.5334 2676.6786 13911.6367 8134.3262 21160.0952 21807.5426 22321.5461 3521.6923 1048.5054 18346.0790 16251.7696 13509.1711 15493.4589 31457.3042 17958.8001 513.5972 21814.3411 3312.7433 531.3191 18437.0518 2035.2939 14708.0134 17518.6168 165438.2521 10827.9731 439.4559 23067.1465 3618.4703 7627.2983 26187.4085 1432.2604 1151.7474 580.0857 14455.9479 17259.8721 504.2086 10925.7112 491.3768 22743.7081 19152.1856 18332.0803 6610.6967
Glu-Val-Ile-Glu 9478.3546 20201.2458 4738.3312 11002.3007 10916.6956 1317.8079 7687.9015 490.5675 11680.6851 10132.7789 13120.3558 6468.1050 32266.9697 198269.9773 288.9055 22750.5661 1077.3503 866.8620 8899.6910 11401.9564 9941.5882 1356.3720 1111.7195 12615.7461 9315.7383 12165.0786 63.2077 59460.1400 17503.8728 4990.8518 23629.1552 12829.8445 2203.2906 5006.4763 12508.1804 3984.8495 18619.9765 3917.1615 152.3024 1349.1568 3134.6707 26492.6910 16759.9536 7511.6727 772.6727 6930.1934 19028.0770 11341.1698 1802.4204 1573.2195 1426.9411
Glycine deoxycholic acid 7778.2080 855.2871 443.2827 6716.7102 602.7495 12301.2026 115378.6248 287.8610 482.3126 5479.9047 32.8888 1384.8063 439.2421 6680.6799 635.7702 9829.5347 3491.5794 1164.0040 790.2393 172.0421 308.7867 251.2932 418.3128 136.7388 718.0216 1695.4679 16643.0685 164.0233 8591.9547 2377.6219 3998.6202 41644.2692 3444.9741 8356.0087 672.4330 1569.7713 1141.2007 94130.2247 38.8533 571.2711 76.9560 159.8140 219.5089 281.4142 500.8778 10235.0139 1386.0857 399.8052 311.2870 1395.6798 6033.5430
Glycocholic Acid 35146.1721 70.4292 796.0448 18307.2230 421.0245 17089.1919 12671.4914 767.7129 1327.1276 4798.1539 35745.4293 4369.6892 743.4288 33140.8076 1209.7130 23031.8066 7663.5123 791.1010 1061.8868 1385.9291 30440.1518 28462.7893 73.4496 168.4834 2555.9237 4851.0056 169236.3605 63.2542 29954.6668 4139.6405 3289.6053 149805.1799 9697.5789 31681.0333 879.2079 3094.0182 136.3340 397098.1714 26779.9499 1655.0645 90.8864 32434.4997 30128.0912 654.0920 26956.1313 47114.8054 2852.2664 527.5295 31952.2357 2371.6050 22080.7689
Glycolaldehyde 69011.6060 66776.4413 86041.4352 59632.2484 135249.0992 74347.3664 85047.2086 46714.1741 75672.2100 40982.0084 56819.8242 43213.8388 125465.5361 34683.5443 55240.2389 84766.3343 55118.9174 70715.2498 105831.4736 112097.9742 92244.5807 69951.8804 92938.1580 86244.8758 92911.6119 59693.6980 99721.2714 95822.8208 58224.0419 30548.2797 92220.2759 68793.7686 56659.8995 94374.5266 71069.5687 80946.0891 42993.4345 124886.0836 90942.2289 67281.1766 58265.8570 51662.5292 122606.4061 70345.2897 57443.1092 78223.7680 97735.9020 76844.7070 74669.8727 68709.5278 80557.6882
Glyfoline 29391.8249 145166.6077 31063.3100 206055.9488 9373.7613 5805.5775 55777.8130 23823.4984 54718.0065 134119.3751 85503.2295 99607.5196 2686.8636 24268.4932 90413.9023 72011.1108 85768.5694 221872.6420 234781.8857 16414.7278 118533.7270 122581.1961 37065.8291 68136.3722 228730.5823 5250.2154 37783.6637 152574.5901 1362.4451 70937.3542 958.9845 58564.5519 73691.4509 365.4427 63094.0700 77738.7795 197189.6206 44273.5952 112028.8430 131685.4737 405356.0851 145708.9838 28031.2078 183476.1194 48206.6051 41402.3940 12009.4621 566.6620 204130.9628 112435.9315 16706.6068
Gly-Leu-Arg 1507.7471 10767.4418 5091.9768 1308.9947 8255.6208 6102.5844 2221.6321 6448.7656 9172.5263 4487.6807 6288.9082 5452.7928 26264.6632 23251.1206 7141.4834 9456.0980 4864.7484 3500.8475 755.0348 6393.2450 6767.0983 6087.5347 5938.0189 7368.6901 5960.1248 9157.5022 1775.4431 9628.2380 21479.7856 312.4319 7937.8188 568.4029 6465.0130 2159.3121 7657.9092 5031.3487 6858.3300 5203.2432 5445.6338 6064.6958 1303.9125 7900.8423 10629.6007 4531.7461 8250.5834 10471.9249 15826.4006 7022.0739 5295.2152 6114.4302 6053.4086
Gly-Norvaline 1609.4217 2788.0587 1895.9720 181.6252 1594.9807 181.0610 1567.1916 206.4293 198.2861 1928.5043 2257.5431 3611.4642 1382.0000 383.2149 1194.3953 2472.6100 1696.9708 2063.9922 3124.8543 1537.6102 202.3666 1946.1540 1655.9720 2715.2214 2923.5159 1536.3335 169.2958 5830.4091 1796.7123 5247.2240 1939.4226 206.7424 3728.8656 3776.1189 1686.8365 2756.4989 3517.7676 1255.5281 15058.8126 1690.5157 8040.1777 3471.3690 1926.2013 2597.5175 2021.3811 1780.9185 2079.1849 1669.9272 1259.5957 449.6000 1808.6064
Gly-Pro-Glu 305.9971 2248.6749 1198.6845 254.8316 272.0123 2214.1380 1291.7183 1185.8576 2572.8605 342.8024 808.7919 1156.4049 1824.8012 1748.1453 1492.6055 3793.1274 884.9179 904.8678 1073.9090 1664.8130 1006.5282 227.2759 359.5524 1517.5095 257.1292 1375.8378 282.7245 2753.7212 4065.5042 348.7658 2362.9609 1245.2997 364.6488 1399.7557 1290.8437 280.3216 1239.6950 1288.8082 856.6583 790.3527 653.0688 1228.0975 1045.3414 984.9521 1353.7568 1846.7316 290.0868 1751.7046 1109.2282 1107.5795 1174.5312
Guanosine 11663.7430 787.9029 5655.3898 3161.0943 7773.3275 1029.2522 504.5383 19866.5239 1467.7424 2200.4062 5470.3782 1154.6729 3540.6775 8294.0246 1288.5472 4905.1120 11999.0018 13761.3664 6276.1335 6774.0750 235.1867 6106.9312 4310.6343 23937.0419 11894.4143 11534.5113 1920.4812 9130.0222 7356.5187 419.5830 2093.9581 6943.6112 2081.6666 1711.0187 17009.4772 4031.9458 1827.7124 9281.2308 1560.2629 4671.4311 438.1218 6836.9418 4918.8491 22517.2056 1396.7424 2707.1943 8136.6777 2904.4203 1505.1716 8474.7940 3004.0907
Helicin 557.3111 2314.9693 588.9077 1528.1305 551.5041 2949.0593 1623.0654 843.0264 1272.8448 1734.8973 2121.8403 14605.3893 1549.4915 1552.5827 348.6601 196.5189 3370.4572 819.2686 150.7668 1699.8307 612.3669 335.1037 2360.1515 1812.0136 1294.0214 1477.7591 637.4132 830.7105 704.2619 3449.1406 788.6756 291.4870 331.3332 1316.0774 1831.8652 153.7023 1581.4521 653.5452 788.6450 1308.8299 2175.0355 1628.9157 1694.1146 733.7799 999.3703 2036.0129 374.9905 1955.1222 1538.2089 4100.7176 767.9924
Hemibrevetoxin B 3207.5444 4631.9576 2989.4665 3307.4143 2562.9802 557.6559 1446.8776 3336.3010 11826.0391 824.8511 3527.7741 896.3447 1686.6321 13238.9487 2403.8010 6903.1200 2954.2070 3743.4625 5780.7600 2340.6779 5086.8045 691.8146 2669.7877 8434.3664 3206.5482 3935.6406 3329.1815 9899.0548 6168.6701 1993.4462 1961.7951 1324.3556 667.5453 4294.2882 2395.7606 6273.1001 8977.4108 4079.1720 5027.9723 3767.2760 6560.0698 5798.2599 4510.5782 4157.9718 2746.3582 4675.6124 3854.6939 2522.5613 4297.2126 4482.0858 1064.1779
Hendecanoic Acid/Undecanoic Acid(C11:0) 13685.9764 15108.9034 10810.8470 41393.3964 41430.1241 10791.7236 16557.0716 24010.8121 15365.1775 15614.9956 10183.6973 16148.1548 14672.9541 8819.5213 12168.0650 11729.8239 12589.0707 43419.4766 12076.8991 17356.4143 12351.7680 12138.7429 13032.6500 16706.2179 15914.7267 14929.5426 11295.2748 9684.7087 10514.2059 11167.9076 37067.2533 17352.4280 14592.2467 11081.4751 17370.8812 11028.3168 8491.2264 14313.0240 11975.2727 10902.9808 10361.6644 11464.3395 16486.9735 15005.3699 41610.8621 38869.1020 9746.9031 12042.3492 11304.9805 35806.3451 42973.2657
Hercynine 1627.0909 1520.3693 323.8435 3515.7188 2498.4842 1825.1145 157.4657 2221.3502 3614.4187 2834.1639 3042.1642 1724.8163 2870.1889 1900.7705 1737.9417 3700.6262 2301.0291 1436.2902 3003.5622 1828.0314 5979.3223 251.5309 1536.7602 2289.9772 1974.9887 2119.6816 3035.2922 2936.1685 2889.9365 3826.9137 769.3820 3465.7655 3137.7775 2348.2132 1456.1673 2323.9497 2663.7357 1296.6799 1171.8301 2699.3782 5874.9491 1204.0173 3219.8485 2225.7156 1465.7156 1582.0229 3068.9785 1879.7878 3898.6176 2501.8891 2035.6307
Hexadecanedioic acid 3564.2587 4325.5552 4116.5949 179.6258 3636.8768 3219.4107 3365.6946 4108.9722 3426.1678 8121.8333 4466.0357 2878.6161 4358.8481 4566.1844 745.7970 4012.8878 4028.3158 2514.0507 738.8184 3559.8831 5875.2048 4030.1012 3476.9557 2616.1079 5883.3275 4321.8547 5729.5323 179.1754 4178.9075 3395.8548 4223.7206 4151.7564 4488.5216 4199.8708 3069.6587 1709.6759 6304.5658 4181.0535 9749.6915 7680.8839 2251.9840 545.8047 14278.7631 10535.8362 3752.6222 4462.7620 4122.0949 3467.5474 146.9576 4281.9503 3427.9892
His-Gln-Val-Lys 828.4230 1487.8703 1587.7495 2639.4859 507.7916 970.7002 1675.6936 2206.4964 895.0604 3920.0794 1356.2962 4686.0949 1782.4383 1788.1493 2924.3668 1802.0286 1384.2041 1573.9205 2543.7520 466.5569 2619.8474 1228.8491 403.0439 773.3102 664.7335 2263.7296 2353.1997 2189.5886 539.0929 539.7571 1442.6873 2035.3666 982.6030 1726.7772 2189.2188 6860.8526 1479.9726 3237.5071 2395.5043 4148.6884 3129.0459 1683.8457 6386.1860 2911.4841 2234.1390 226.1318 1602.8992 562.6436 1320.2862 4375.1402 727.2275
His-Leu-Thr-Lys 51545.1227 43186.7545 1856.3622 1453.6303 31415.3371 17764.0140 3706.3591 35730.3987 240.5473 14532.2987 17773.2789 7697.2855 21690.8154 8997.8371 15202.5697 72497.7975 1513.6043 472.3447 7290.5617 15707.5335 1635.0275 9732.8032 11046.5193 26096.9500 4348.0338 15425.2614 1433.6819 10867.0770 32506.9136 1880.7185 74011.7597 21884.0538 200.3982 13238.1546 16746.2733 5954.7289 20776.9007 20611.8054 22692.5587 3314.4866 14777.8184 31584.1253 16681.2462 393.2933 15756.3577 11977.5768 45968.3908 20645.6472 1902.2236 2089.3402 14054.5604
Histamine dihydrochloride 25141.0489 1809.1332 19303.4485 177.0472 2772.0177 17908.6340 14344.3669 21856.2420 29277.5439 1157.4941 10553.8691 21508.7411 4717.8332 21858.5799 11019.2528 2222.2891 3529.8787 1327.4874 5053.3955 2639.2224 1400.4227 5677.2528 8700.1856 884.8132 1768.8222 19262.4099 2543.9033 9594.6645 15234.2599 2386.3714 3409.0195 13521.7282 8585.5188 6964.1324 5240.9145 5873.9815 15457.0267 1312.9697 5364.1040 3916.0422 14398.7673 801.7136 3228.9694 5449.1082 2369.7356 960.1377 7942.8574 5666.6686 3590.1643 3424.1346 11349.0486
Histidinyl-Histidine 7390.2049 9201.1796 3399.0246 11179.4577 12336.5968 9358.4001 8776.2612 2875.2527 8318.8904 1571.0691 13100.4305 253.9487 9006.6828 11559.1889 12710.2779 11873.1123 3897.9713 11873.5411 1330.0907 8690.3196 13661.8152 10058.2826 10356.0499 11714.0231 13763.5129 9651.3451 3744.0782 2509.8749 3630.8958 13388.0681 11670.5647 12532.0271 15986.7588 37364.7967 5839.7465 18514.6304 20166.6201 15045.2998 15943.2486 17008.4839 2890.2422 46211.6335 14183.4470 24380.1748 7869.3904 11883.4848 9997.2486 9586.6795 35777.0844 11988.9902 8730.4851
HSO3- 21180.6826 36410.9162 28685.6854 27243.9457 143114.0318 25328.3638 28575.9373 20713.4179 27826.8676 18041.1597 15446.0209 150025.1410 23325.1580 22025.1994 77123.4197 44126.9865 39170.7238 29131.7680 22616.8541 34267.5267 13633.0297 13966.2162 28837.4800 24983.6719 22508.9951 13900.6296 25669.4722 115223.2898 20161.9934 25093.8812 11094.7982 21486.7460 14642.5851 28587.3239 22266.8444 22511.3498 104914.9037 21463.1472 20182.1135 31069.4053 19212.1498 43687.3469 112671.7264 21785.1240 23902.0440 25960.5887 23270.8139 35929.8698 15871.9348 54614.1891 32726.6788
Hydralazine 1159.8242 1011.3078 208.5193 1813.4777 933.3284 375.8144 146.7492 2184.1679 639.1289 1602.8031 1337.7720 385.6088 183.6236 2180.0020 546.6448 1363.5001 1070.6242 640.6105 1329.5425 930.5044 14946.6992 1367.3708 128.7071 412.8083 342.5001 628.9071 2354.3926 140.0281 586.8648 5005.4550 123.7521 849.9951 1569.5125 664.7475 1052.1084 1114.5214 900.1760 551.7247 3640.2131 4155.8452 4427.2332 823.7729 2265.2321 705.0346 1559.7461 1278.1472 1151.9471 546.1657 2198.0237 530.7678 870.7505
Hydrocinnamic Acid 6673.7882 8029.5839 8010.7769 10232.8504 22353.2777 6757.5703 6577.6259 1091.9786 5669.9235 7705.3502 4000.6540 9260.0906 5073.3028 34846.7268 192.8375 6391.5216 9627.9786 9539.6864 19031.5262 6723.0174 6471.7592 16269.3203 6515.0828 4525.4935 4816.3015 784.6109 2732.6251 3413.5198 6750.7037 5568.1911 5536.1700 1914.8028 4198.9500 7047.6422 8015.0274 2552.0219 9678.8503 2512.0271 1423.0942 728.6808 1768.3498 3471.3847 1607.6702 3950.1083 10095.1251 7448.3348 5949.5729 6711.6604 3451.2380 6843.7001 2789.5114
Hydrocortisone 4284.5722 326.8920 5191.9592 5313.6184 50.8524 113.9168 5171.9451 1187.4172 182.6899 1105.1327 449.6911 475.5230 2795.6618 1540.3386 1595.4876 5924.3229 5394.8571 522.8944 480.2543 243.3898 818.8952 721.6746 4121.1674 113.5216 5662.7199 705.0713 673.6944 724.5448 119.1618 8282.1906 6578.3854 112.1429 804.3070 5571.5966 106.7408 3737.7182 1937.3859 2069.7723 1376.6445 6878.7370 111550.0114 311.0192 97319.9163 437.6415 831.3016 108.3942 1239.8868 4754.9604 508.2673 1470.5335 49.2657
hydrogen sulfite 5989.8373 4861.6556 5828.7108 4047.8569 4870.8583 4133.6456 4740.7226 6290.1948 3796.8590 4884.8711 5931.2698 5344.9926 3298.7759 6349.6067 3892.6180 5284.8207 6347.5298 7207.6822 6484.9614 6793.5705 6008.0287 7189.0915 4882.5006 5274.5511 5232.9755 3968.7044 3783.2795 3416.5092 3393.2147 5294.7820 5772.6357 5726.5613 4232.2543 5554.5016 5120.6495 4448.4770 4575.8115 6012.6490 3826.0420 5942.4054 5381.7425 4784.8580 3706.0623 4665.4144 5208.0154 5048.0673 3203.8129 4879.4289 3036.8736 5118.5650 5764.7438
Hydroxyatrazine 19276.3639 16976.5028 15506.7636 18950.2459 19185.8481 18249.1187 20756.5718 54118.7700 15410.5047 15279.0379 23583.5322 21019.4446 17739.5956 15763.7272 19294.2783 17846.6697 18334.7693 32205.0804 14011.4622 19852.3568 21365.6359 18906.1765 21344.2740 17248.0258 20928.8584 17098.3736 18996.0700 13064.4684 15219.0123 17652.0570 17712.3924 20897.8035 16510.2153 19751.9859 18362.5704 17607.6615 14565.6444 16675.3132 14255.7736 14168.9828 13979.4664 15064.2514 18615.6983 2405.7361 20075.6787 17601.1769 14101.6542 48495.2378 18749.8181 18838.3557 19838.4754
[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate 993.2500 2922.8536 3038.5912 7334.3545 820.2046 3044.2823 1926.3496 763.8397 2140.7535 847.7444 9677.0772 2948.8563 1999.9788 420.6039 628.8934 1295.3837 5794.0258 4215.1983 6522.7212 109.6749 438.2668 3148.9234 180.7035 713.0255 1048.0714 7979.7393 7333.7137 3580.6736 10589.4006 2582.5453 550.1199 619.3909 537.3511 5187.6643 737.0500 2221.5935 5425.2781 104.0619 1361.6758 1224.3335 10254.0349 2616.1042 2184.8664 4358.5236 216.6413 99.2378 209.8845 883.2960 3934.6337 734.5893 3209.8797
Hymenoxon 14795.0382 1712.4184 17674.0039 1530.8693 14201.7020 215.3508 13755.0802 35808.0869 12702.9246 1489.8927 6847.2290 1083.1070 14725.4164 19954.7375 11668.8461 17791.1915 11779.5921 63549.5904 3534.6991 498.4760 3363.9096 1288.4932 1739.2474 230.5320 4819.3050 13498.7836 3891.7661 752.5998 432.5909 126680.0678 15895.5611 11151.3896 127006.7859 10312.9823 13714.7372 15694.0521 59791.0290 3077.4341 31141.0476 2408.9838 5981.7144 9568.2688 3958.6931 12105.4776 15820.4576 16632.2181 17482.0588 27573.0095 33944.4940 2199.5737 16377.5519
Hyodeoxycholic acid 289202.5589 214828.1649 142352.4189 149148.6265 126186.8665 31977.6223 99121.5506 247798.3803 89233.3557 250732.9213 705313.0904 25952.3371 228067.2693 334564.7560 13481.1212 16348.7412 132948.1460 151603.0333 327792.5937 84202.1345 799483.1638 825606.6379 109134.7779 239382.7058 223047.0979 118193.4585 176601.2984 609298.8845 172066.9939 139035.0278 151138.1159 108327.7484 394573.2593 37700.4002 31767.4426 128167.8816 902602.5168 389420.9283 331385.4087 214005.0571 205606.3791 1085216.6210 105032.7273 350029.6902 72465.2611 56063.6828 352244.2215 165381.3319 111531.1725 26516.9046 144096.9792
Hypoxanthine 28054.2074 32402.8103 40221.0246 27524.5299 33288.8815 28782.3756 7957.3008 11268.7362 66662.9797 47039.8931 16705.2607 32005.8425 46494.0313 7233.6831 32119.6823 10648.4043 22554.1346 38471.3725 39058.5237 25995.9990 9107.9396 38434.9066 9450.5835 25986.1261 24568.3704 67441.5285 59297.3549 14945.9297 18477.2060 16202.1824 22970.5157 20601.9739 22755.1007 17276.8177 39212.3764 62626.8125 18079.4826 29703.2341 38081.0318 37675.1776 9293.6652 7134.7308 4830.8698 18123.6073 27686.0163 18059.8216 33373.1455 31851.4024 63111.4107 66529.7950 20960.3095
Icaceine 2211.4581 4416.5203 2749.1260 2421.9095 3656.0419 3409.7633 700.0699 2779.4085 5207.7841 3128.5376 3375.5864 5002.5172 5310.3305 652.6615 8165.3721 3743.2232 2608.0891 5485.7462 2447.7650 6954.6358 2604.9004 3190.3045 3892.8467 2747.4157 2474.0240 895.5552 4903.0365 510.5711 1589.6349 5381.2979 1050.3605 3752.8678 2278.9142 4665.4317 1483.8817 7829.5139 1658.9118 2642.7266 2520.2105 2732.3455 2511.8128 1946.8707 1510.3627 2063.6107 5055.0061 1180.6709 2537.0061 7085.1982 4011.5452 948.6606 5459.1414
Ile-Arg-Asn-Asp 10438.9587 3762.6482 812.9279 7040.8273 1090.0991 5470.6347 230.3342 2961.8643 1083.2672 2499.3942 2327.4555 8384.0579 348.7214 85435.1186 7210.8868 10103.0455 3445.2671 6340.7852 1226.5170 2831.1558 3751.1238 600.1217 8231.2656 3073.7316 8069.3745 3051.7787 685.4859 27765.6803 6570.6502 20230.9703 62860.8200 6245.9260 6425.9623 96.4956 3683.2813 101.9879 2250.4149 5985.6835 4082.0264 6886.2547 3243.4007 1211.7218 522.9594 8017.1613 276.4908 4195.4479 2927.5555 882.6521 5132.6277 773.5640 6161.1745
Ile-Asp-Tyr-Lys 74368.7673 86174.3754 69702.0139 64741.5862 70022.6018 64407.1397 67094.3720 76226.0614 70384.4287 85822.1131 84236.2677 65333.0887 73603.1072 92112.2677 67661.5229 73149.4393 67908.7912 67470.9021 81626.2790 69302.5342 83276.8003 80316.1541 63322.6154 94721.0010 84776.3308 73379.8450 78982.8527 94699.7716 66052.0462 71486.3617 69631.1632 64236.3467 82803.5342 66913.8494 69620.8147 67072.6131 81810.3975 73689.2389 86605.1013 81994.7769 83460.0064 94434.4304 61139.1602 86450.0774 68508.8320 72316.8196 97050.8106 73828.1345 71128.3838 67215.8804 74537.5284
Ile-HoPhe-OH 1061807.6400 108176.8949 29608.7361 100995.1577 55097.8134 72661.1224 18408.5843 64266.2109 5558.4287 120291.3662 64122.2643 87905.2799 124941.4378 22947.6495 3495.3061 19357.5575 885.3857 100307.3041 118275.9397 38362.9899 146372.1011 116209.5571 21647.6085 77175.0401 170016.6250 181106.3969 234.7926 126595.2987 86348.5762 120946.7438 476121.6706 221707.0163 93373.5195 11801.5866 4630.1243 8637.3031 86672.8092 261564.6989 102392.8214 112132.9875 140420.5302 56785.4517 104486.3720 144350.1133 19231.5289 49937.0520 44874.1797 1892.2480 109332.5310 143370.7612 3422.2049
Ile-Phe-Asp-Arg 334204.6037 84.5278 172494.3285 103468.2947 329925.6083 354952.7925 311551.5468 507945.9195 1610758.3130 353.3273 95550.3635 6380.6991 284794.6902 660645.6176 720.6585 132260.5701 16751.8541 89094.7806 239.7993 80267.7855 91.3318 412421.0521 227886.5013 949580.5025 9496.9194 47754.3881 5996.0411 652070.9495 850434.1610 60507.0257 417480.7851 434367.6629 149723.0554 2882.1557 9825.4528 1644.8104 226392.1803 700940.8061 101.5484 95.1883 909.2446 216382.3494 130878.5492 130929.9187 129843.3052 1017463.0770 674486.3053 642180.9330 350.9503 2159.5730 90046.2066
Ile-Val-Lys-Trp-Asp 119494.3965 14239.5256 15003.9363 140619.8694 128175.5737 105137.8561 75744.3362 1151.2466 95292.6156 225574.9098 135236.6272 28389.8524 69951.0952 167908.6438 32142.6364 177264.8105 36921.7952 60743.3823 328348.1341 85332.9617 15386.0542 105181.9177 65802.5642 143040.3985 570904.6513 11979.5679 4286.8441 269895.9994 139857.5055 10768.5923 138824.3610 94203.5662 98261.9465 33450.8846 66748.7714 145753.2429 257688.3355 111822.8379 453771.3906 100867.0695 1315725.3690 183157.0503 98617.4095 306036.0835 405.0350 98403.7803 121711.7458 84233.7021 1257.7541 55819.4130 75494.0984
Imiprothrin 727.5278 797.0034 313.5215 723.5519 473.0660 144.9676 1320.2729 373.4110 1550.0505 716.2806 733.6513 552.7141 734.6938 1048.5507 683.6683 746.8706 607.2041 648.3506 116.4980 682.8577 162.6014 375.4590 813.5801 3797.7451 1125.7725 867.4011 144.5663 1412.8501 620.3752 912.1347 698.8290 366.8682 1705.9983 760.0517 737.3591 703.3959 748.8468 472.5040 1094.0274 678.7112 144.1840 839.4595 700.3442 811.1503 114.4700 1045.4207 1392.8391 315.4100 1216.3668 640.7036 698.2706
Indole 783.1438 808.3724 770.1497 376.9382 2223.4453 734.3910 745.9216 197.9383 199.4130 1926.2218 737.3527 922.9084 767.8754 1364.1914 785.9148 831.6811 1311.0458 917.1891 2635.8197 571.5035 826.5085 1358.2294 773.3049 914.5147 1563.0761 944.0106 1028.6194 370.2203 779.8540 1392.8966 703.3174 172.2388 1192.1960 872.6743 830.2488 807.4141 1106.6807 225.2626 1328.2628 380.1016 1083.9097 1005.7119 1459.2052 969.8971 173.5779 219.0900 815.9472 680.3995 931.3150 871.2123 659.5466
Indole-2-carboxylic acid 10616.9943 26778.2855 424.2248 4274.5681 4237.1069 3857.0514 6015.5858 25533.0112 11925.7436 2300.1909 24738.7454 173.1067 568.2356 2708.4826 12491.6624 16696.7056 239.0493 171.5195 448.1140 3046.8069 970.5965 707.7864 4687.9428 250.4046 710.9356 2818.8404 570.5663 2600.4792 139.0008 450.3300 744.3675 8003.6418 4883.7794 744.0801 403.6127 3236.1047 5678.9337 1159.8733 75.6462 746.1251 4150.7764 85.2307 7419.2925 509.9214 822.6546 16484.5260 3557.3553 5417.2457 4361.6655 413.1170 575.7774
INDOLE-3-ACETATE 4590.3391 2834.1544 4211.9054 4078.7691 4502.7709 3746.7157 4715.3987 4164.2551 4717.2541 4604.8384 4003.6752 3584.7646 4949.2559 4330.6705 4766.9389 4982.3275 4651.3778 4202.1122 3258.0625 4814.8531 3444.1040 5023.2215 5178.6277 4464.1552 4255.8600 4360.1311 4725.7458 4157.2735 4445.1319 2297.7555 4640.4984 4270.3513 3225.1037 4519.2990 4706.1653 4196.4848 3168.1881 4185.1259 3010.6725 3975.2910 3175.4748 3103.1702 4371.4905 4702.7120 4709.2710 4955.0873 4579.6594 4412.3997 3303.5063 3798.5922 4779.8692
Indole-3-carbinol 446.3949 1282.6832 1592.2751 1524.4669 726.2055 2076.8506 1995.5691 1485.3595 5761.9573 1662.5302 3869.6453 1530.4225 287.2516 5241.9906 2079.9676 1855.8056 1626.1177 644.5212 1500.1454 1638.1770 2073.2547 2002.1162 1892.9394 850.8352 1582.6655 386.5236 2834.8675 2494.2294 2814.9398 2057.4744 2323.6095 645.3428 1542.7629 1680.2014 1358.3863 373.0588 320.8612 1670.8620 386.7665 1263.9276 1456.5287 1558.0968 1590.4498 954.4252 3896.8723 2338.9335 7603.3127 2583.8956 1345.5018 1357.9181 1262.6503
Indole-3-carboxylic acid 45150.0078 38151.3036 42488.5145 37637.2216 42758.6903 38542.9433 47605.5899 43006.5354 46236.4990 38516.3012 38531.1759 38832.0114 49082.8099 35078.5705 50329.6791 43091.3825 45806.6396 42595.2781 36874.4525 46098.3861 33824.5291 41000.2260 49070.3006 44793.7241 47726.2967 41139.5863 42960.8357 37501.3692 43404.5515 30267.8593 38904.9825 43374.6946 34102.6799 47000.0056 46316.4880 42480.8229 30859.2592 35298.3489 34912.2469 39614.3247 35092.2527 35262.5679 41421.7617 44228.6445 50401.1096 45526.6475 43495.5464 45920.5611 36302.9447 41612.6966 43154.1613
Indole-3-lactic acid 207434.8315 398092.6310 278786.5019 379810.1795 194088.4149 342897.6995 196114.2428 113986.4007 186341.5658 249382.8183 214550.1419 276597.5645 156125.1988 176929.9415 116494.1745 254756.7431 193046.2863 287671.8266 284207.7856 153895.3779 275176.6840 259425.3521 140211.4233 133205.8544 79509.1461 83473.0078 211437.6979 168989.1140 98440.7658 467428.4031 166984.1898 85496.8036 327785.5086 93389.7220 147805.8942 216497.1224 378981.4000 312467.1004 315902.4267 234644.5274 242649.2952 330536.4096 232921.0644 176668.5136 167992.8507 131400.7227 187215.6953 177493.4880 190955.4991 64140.1031 159274.4342
Indole-4-carboxaldehyde 24535.9056 16192.2881 21007.4152 17064.6860 22841.8806 16518.7803 24067.9738 24511.4925 25634.8495 20612.4299 21624.2303 18908.7174 25676.2523 20762.8319 29779.6544 22997.9606 24699.1392 21921.4369 17832.6190 26129.7686 18524.6467 23201.4479 27463.3758 25804.1965 28548.9526 25342.6578 22501.0548 21145.3521 24890.2336 13073.9257 23191.2823 25510.7587 14358.3480 29961.4880 24646.7477 21827.6615 14926.2874 17258.5969 17032.8009 19234.2019 17487.6712 15807.9924 22012.5382 24224.9460 27628.2505 27164.1755 23641.7531 23603.7873 18990.4930 23967.9349 24781.6495
Indoleacetaldehyde 22658.8954 31122.4935 25719.1789 30504.1196 22334.7749 29208.1225 22894.1967 17624.8609 20879.8005 25528.7370 22497.6521 25781.5187 20972.1781 21404.9665 18955.5697 24815.8297 22336.1213 28550.1683 25512.9864 19321.7949 25290.9722 25858.5670 20531.7600 19355.7378 16910.9252 16402.3518 23381.6910 20029.4747 16581.0549 33732.9024 20186.5560 16258.4510 27731.9089 17074.2378 20234.4211 24331.8132 31398.7618 28211.5764 27945.5478 24013.6723 23286.4836 29037.4439 24700.3444 21029.6748 21687.7759 19298.7360 22181.7637 21241.5922 20898.1319 13845.9351 20483.5903
Indomethacin N-octyl amide 1046.7422 13579.5135 4224.2770 8160.7768 1557.8145 1032.9620 867.0096 8960.2213 20720.4178 13646.3074 13397.9184 6146.3708 5435.7327 54923.2383 4463.2845 2020.8044 5095.2262 6613.2392 17974.4506 879.0257 14381.0364 574.0898 3597.2344 14158.0391 2886.5737 25136.0992 4689.0524 31450.4718 14191.4080 1010.4648 3808.7997 4308.2118 11885.6872 9957.1491 4608.1912 1250.5122 20476.6101 2717.4687 18168.6220 10972.8059 16352.7108 37574.2584 8731.5070 8662.1183 5291.3280 4953.3697 15635.5498 3342.1344 11667.3111 11109.1787 245.8693
Inosine 47980.5141 6146.1565 83168.5761 47435.9217 40956.0569 11942.4246 3170.0109 79390.7539 10279.3659 15558.8880 49298.6635 7807.7547 35184.5301 50973.6363 6841.2783 5446.0799 74660.4664 75488.7448 88521.3693 33810.4724 3189.1368 55241.8421 28818.0514 120439.3937 28868.3948 125733.7285 17854.6264 77760.8624 33774.7316 3598.8704 17872.6378 50894.7653 4344.4057 3064.9797 147282.0347 13307.9779 14535.5825 36324.0891 11368.6912 12525.5885 17028.4329 55205.2479 9939.2931 128523.4582 31764.8276 1943.8135 36528.1825 29591.6904 10339.0605 52820.7913 36573.3875
Iprodione 600.4600 1298.2056 830.2388 1252.5423 1055.7251 520.6105 952.6364 2189.3579 202.1264 1361.3712 3112.4916 284.0289 1659.6264 427.9863 1720.0409 385.8713 1544.5453 1463.5711 2059.5263 1484.2270 210.4923 291.7088 2920.6524 1004.8382 2414.8877 3576.8144 863.1320 1802.5048 6662.7843 1586.9739 1403.2437 3368.1693 3300.7817 736.5408 1766.0428 2995.7937 276.9350 1531.7340 267.8536 1245.1821 6593.2685 1493.5783 2307.5416 3136.0195 1268.9433 884.5866 5380.4239 765.9911 1937.1716 5246.6252 1395.0969
Isobutyl salicylate 4561.4483 23253.2824 4031.5689 1972.8871 3662.8552 4551.1158 3708.8093 4172.4978 5084.1904 6052.6251 4484.0042 4751.0154 3914.1485 6186.9697 4079.5151 4723.3702 4450.1856 7043.9771 5289.1254 4392.5298 5405.4316 5280.0221 3318.0031 2982.8614 301.4190 3363.6589 4205.2166 4852.6842 2570.1866 6687.7968 3610.6770 854.8239 3720.3893 1709.0809 2746.2966 1430.5064 7761.4867 1332.1148 1530.1083 1728.1280 379.4399 7051.2449 8841.9192 3305.8750 3763.4063 3404.4094 5144.2167 2807.2586 1251.1932 4000.6879 3668.1477
Isochromophilone IV 291.0452 4696.4961 2149.2861 295.8413 2302.3299 1097.7332 1662.7541 2170.1460 2744.4465 5878.0652 1751.6422 2318.2861 1862.4023 1588.2136 1899.9163 2035.3649 1484.3959 287.7128 1212.4809 257.0914 301.8677 351.1114 984.0338 2687.9411 2630.4784 6003.6125 2204.7173 4061.8943 4224.9204 8283.2178 3235.2023 2114.6613 3024.9453 1999.3364 584.0348 2770.7905 740.2035 4801.7195 332.5536 2348.7818 4103.5968 12738.5138 2157.5685 2112.9679 2035.0215 2663.2164 260.9476 1972.1134 250.1242 1016.8590 1775.9214
Isodeoxycholic acid 27186.8517 39970.0222 10416.8119 4563.0166 3923.7982 12450.6035 9695.7997 41858.1116 2911.7589 30890.3663 35005.1046 13198.5260 24378.0091 143667.1729 6770.4655 13149.1026 9165.5128 4797.0601 105362.3231 1176.5246 35102.3143 44601.2525 14922.3502 39926.1601 26518.1608 4193.9714 32748.0568 43189.1229 10104.9727 6868.7714 7340.6151 8099.3568 42150.5516 745.1352 669.1970 2190.8471 69937.2117 8929.2506 25360.6478 29762.4009 30778.6181 121720.4858 652.1525 36490.5093 1035.9037 1379.8189 42752.2365 2200.4884 3281.8725 10698.6244 7082.0324
Isodonal 2027.1851 1315.4533 2100.9530 2612.0033 1653.1554 1734.5730 1977.6898 1666.5554 2307.7967 1393.7447 1665.1448 245.2995 1834.0134 3084.7536 1804.8634 2445.3334 1428.7485 2499.9954 3439.4200 2534.7028 16548.7441 1934.3026 1525.6559 1954.1191 2528.3700 2378.3261 2153.2465 2667.3358 1698.8862 1006.6749 2174.0882 2381.6075 632.2513 2176.2480 1680.6329 1486.6014 514.6870 2497.1995 2919.3657 2315.2121 2152.6258 7182.7864 1003.9642 2328.8260 2414.4510 2400.3624 2522.5134 2183.9398 12989.7599 582.1964 1501.3219
Isoproterenol sulfate dihydrate 1107.2979 1212.1733 998.8565 810.4695 705.6884 950.3317 988.0479 1789.2482 903.2536 2359.2738 2371.2929 950.7715 1642.5954 704.8004 761.7561 935.8723 720.9588 1004.4231 1551.8646 792.0382 1633.9616 1928.4218 874.8450 2009.3714 1497.1014 130.2564 910.6236 586.4477 94.3262 312.3266 1085.6155 1071.3840 2180.1848 250.9120 103.9975 644.8093 3331.1878 1697.7896 2412.2540 1471.3603 1842.7963 3175.9531 963.1268 1241.5438 773.2506 805.7881 872.7852 449.7918 256.7352 708.9609 732.0988
Isosakuranetin 6741.4025 798.3865 52156.7918 44931.7043 12377.3637 808.4290 799.0930 33633.1217 1177.2949 47446.2982 20539.5125 24858.7164 52795.1188 55326.5850 5043.0127 93656.7116 24746.4982 20740.2563 24339.3236 7230.2846 38725.9330 33921.7224 388.9913 47858.8954 61796.6690 567.4546 25953.3765 4260.1322 33126.5408 67843.6686 1786.0609 56816.9527 1270.1414 44297.7799 37418.8243 20325.2917 991.5595 30315.0649 33997.2577 2995.5900 51083.4155 51785.1103 61983.2063 2700.2318 7238.7754 476963.3772 93408.6544 432016.2300 1575.8072 1106.4874 2194.3509
Isovaleric acid 274104.2784 117732.5111 15142.1874 312765.3399 37083.1577 20383.3889 21358.2279 112837.5715 96585.3401 181519.1316 162459.6927 30468.2379 41804.5948 374782.2554 17557.4598 85464.5301 169998.3627 146136.5566 285215.0947 20212.4046 747079.4938 106760.7276 13984.6796 191117.2206 259255.7137 246936.2578 56962.4131 292252.4468 160426.0413 189243.0252 148590.5720 89436.4729 308275.1922 82040.5866 127291.9442 126554.8102 357942.7849 57931.7960 166710.3106 95322.5698 173482.2247 154625.1890 191211.9160 178246.6167 35178.7697 92134.6489 161947.0706 34865.5576 228856.9302 242389.4124 19639.1578
Jamaicamide B 5752.3964 2027.4158 2731.5778 80.6706 8573.5449 7235.9422 10739.6875 3626.3089 98.4153 3485.6664 1183.8221 727.2085 3108.4530 17178.5006 322.0883 1235.1663 13982.3693 4829.0421 24361.8371 69.2757 28834.7905 1273.2932 7044.3348 2354.3687 1753.0911 1607.0519 566.7876 1905.1952 3308.2989 3986.7354 2200.7951 2434.7153 23227.8264 3683.4453 14686.2120 5565.0859 6158.8161 1104.7073 344494.6599 14485.4037 10362.9770 9454.9720 32332.0492 19778.0393 10032.1950 1806.9372 4696.3081 1179.5192 28674.3029 169.3849 10665.7423
keratan sulfate I 11373.1129 29800.8466 3258.1182 20491.2994 691.6773 11849.5235 8618.4871 2007.7212 10729.9981 25935.4488 12157.6406 8342.6037 10492.2656 18452.4023 3692.8890 12208.1575 11841.3040 11864.2832 38375.1082 8184.5400 42494.5101 13381.5908 9286.6892 6619.4049 12292.7809 6516.9704 8166.9376 19757.2260 10008.1537 9712.4278 2303.4107 11071.5159 13066.2793 5882.2008 16206.4582 33789.7768 18647.0193 151.5928 28640.8251 30471.9654 49246.1095 34178.6838 19676.4330 16813.7150 2352.0212 9345.4366 10742.8958 9416.6964 78544.9384 30336.4432 12913.5372
Kuraridinol 9050.0881 1217.0358 151707.6311 638.9028 153119.8381 187284.0098 5302.3767 188223.2724 146054.4386 306728.3417 17216.8805 3649.3513 702085.9148 596004.2263 88536.0507 11902.8978 146745.8719 177213.5749 246511.7765 166451.5001 196526.1568 1617427.3210 160517.5795 198204.0783 230381.2944 115054.8162 5760.1479 307837.2352 121933.0811 187565.9311 10111.4522 142682.1726 184614.7882 203032.9701 101795.4077 116410.4626 268222.9407 151423.6388 234700.6350 80121.1087 240640.3292 229195.1358 802.2063 138612.4858 1521.7587 144136.2336 71325.4276 161578.1661 128963.5445 618.4985 131807.1893
Kurarinol 261023.9345 2925.5330 355657.8245 206349.0358 204377.7631 323445.3610 804.7258 71844.4067 52155.5269 137640.0929 68861.8957 497666.5703 6509.6889 442517.1675 71987.6980 171621.6209 216581.9920 166628.5898 237443.9285 7601.9126 274857.6005 162542.4761 338971.7318 334970.3308 278938.6258 2513233.6460 162647.7383 337.8018 502659.7835 1156030.9170 176926.1726 325933.0765 15689.6024 261506.5213 191941.4119 138864.7956 366731.9527 274577.2913 222741.8461 170722.2542 3414.9064 202965.3893 181542.8850 132461.1363 278790.9475 153659.4487 273899.3192 244311.3983 229510.1801 113150.4004 7254.5087
L-2-amino-6-oximelic acid 11592.4489 56205.2606 4222.6282 81593.6838 9030.9743 5530.7960 4083.0976 32255.7344 18690.1143 66852.2847 52178.9421 10903.0786 19696.6210 8107.0533 9693.8521 40294.1785 6659.0246 15470.3023 66892.9261 9017.1547 51064.4840 8248.5354 2484.0451 39017.2134 14558.2629 15189.2281 44090.5317 13190.8235 8499.3951 19378.5612 12142.7707 5181.0064 119272.6134 16739.0269 16579.6672 64674.1036 58077.6231 48196.1891 102231.1453 55978.7480 76471.6532 67806.8714 49229.2958 75428.5839 19520.4253 5626.2300 6522.1892 6226.5041 49554.2944 35690.2952 5652.0100
Lappaol C 504.8945 3923.9427 122.8930 3246.3756 3000.3898 1293.0092 653.4268 3476.4866 3055.7938 4750.5332 3179.8109 1087.7159 2497.0733 1793.0980 690.9541 349.7947 1877.4114 3674.0052 2542.2319 3201.3892 2291.4138 2464.8905 288.9895 3218.0137 4467.8992 562.1538 3340.5697 965.8783 305.9101 2513.3080 1576.5253 1901.3014 3057.1742 2435.6181 1209.3455 3135.2109 2879.2169 3871.8283 3034.7463 3308.9062 3130.3359 3644.8726 3105.6336 3127.1460 2359.6483 141.5563 158.6743 2753.7540 2453.3246 1942.4275 1864.8414
L-Asparagine Anhydrous 878.9583 160.8877 1533.1439 58.0081 5287.7559 3505.6250 6418.8897 115.3273 70.1662 141.0533 91.8494 2292.4965 43.3783 94.6354 14.3552 115.9952 15.8066 90.0336 290.5075 41.5224 36.1931 91.1524 4325.6146 168.5018 133.6086 143.9914 125.0837 27.7151 367.5635 332.1467 39332.2736 623.7225 270.4190 261.5305 81.9705 116.6340 19.7167 44.1278 190.3953 469.4560 36597.8090 40.3729 79.6049 347.9009 1985.2506 118.5911 58.0796 3000.0229 256.8871 1508.8135 818.0563
Latanoprost-d4 2545.2370 2636.9107 648.7420 1845.7692 2513.3351 1366.3020 1207.6804 3220.8880 934.5338 3571.3698 3386.8627 152.3679 2153.2989 1130.8848 991.6594 1105.9156 2354.4874 2589.1222 3174.9622 1297.8327 2575.9048 1926.9965 1299.9123 3048.4612 3332.8178 888.1692 2442.9522 3874.5171 597.8012 2108.3371 1585.4021 2621.4730 3378.2902 2773.6069 1990.2597 2854.2879 2468.4287 2828.9927 2921.8547 3364.3277 2650.2986 3270.9604 2817.2890 3157.6719 2434.3844 1404.8565 1729.6662 106.8994 2999.9804 1984.3768 1756.3198
Lenacil 1833.5897 8385.5104 3599.0386 4448.2766 4840.3926 4197.1627 500.4562 4617.9466 1935.5690 4464.4083 4199.2135 19751.2817 4548.6786 4729.6959 3783.0002 4940.2150 5534.5165 4688.0091 1446.7340 5203.1219 4025.3556 5538.6591 657.1841 4061.8661 5134.1388 4072.0648 250.2248 4874.9283 1311.4382 3671.0043 6307.2935 5245.1113 9490.9541 7589.4216 8690.9975 356.6770 567.2221 589.5458 1965.2886 3574.8158 2532.0191 4095.9039 4092.6484 4816.1421 8803.1851 3726.2247 4970.4102 4790.0278 3778.5964 895.3270 4822.4441
Leu-Asn-Arg-Glu 15573.1967 43583.3325 23696.9211 27862.3130 20604.7500 25674.8957 14696.7060 34366.8173 168145.2506 44901.1785 38190.5412 37045.0125 26097.7818 30496.6663 32460.0627 34891.0676 439.7769 31882.4463 43689.4707 16674.0248 52281.5121 53424.5295 40476.9177 152211.1059 868.8305 7531.7704 34627.8766 188075.8306 75712.6222 5825.6582 46303.3165 57724.6899 16190.9182 38566.8387 34296.8479 42795.4411 56753.7580 13456.3809 42027.2784 30161.5331 46062.7054 44955.2194 43894.3723 38129.4563 7812.6982 74884.4512 34100.1566 109390.3497 49501.3811 37380.0191 24519.0380
Leu-Glu-Ile-Glu 7551.5436 7380.0908 5460.2161 4702.6182 6421.5910 3456.3981 1240.5010 15464.3161 4951.2399 4242.2503 4554.9504 3190.1477 7876.6932 759.9400 1424.7209 1899.0673 4320.6811 11381.2561 7168.3098 4182.0510 1777.7295 6009.8218 735.0917 12769.6782 5329.8198 5250.8492 6648.4307 6240.9379 2031.9714 4827.5971 2589.6087 5398.7070 2826.4395 3659.2842 9866.1662 5533.6130 6250.9085 6502.1535 4740.7986 4600.1348 1048.1149 6693.6286 3925.1097 5773.7789 3982.0763 4503.9012 3756.5723 7349.1716 7087.4078 5871.9596 7976.9829
Leu-Ile-Ser-Glu 119587.7754 533583.6716 66206.4397 218357.8650 109526.3214 664913.2023 166117.7085 32904.5724 24068.7257 261147.6515 343.4979 176048.5136 77858.3996 108906.0906 190231.6479 145691.8183 106779.6910 786698.9281 22762.4852 29907.6741 140163.5722 110863.1354 151195.8367 2355.6396 7547.5630 77423.4162 78852.8200 38399.3408 96509.2775 535809.0561 109962.1160 113236.3134 182171.1095 62754.9702 55720.0165 79146.6384 235244.4412 190821.4697 7660.5896 5396.7316 129113.9927 430961.6473 94808.6261 73048.4175 10833.2238 135198.7461 5737.6329 148141.2350 6332.5391 2332.1494 143284.7213
Leu-Leu-Leu-Ala-Ala 2336.0800 3126.2202 2725.6906 3312.3130 3045.5093 3421.7943 3242.0606 2737.5098 3064.7824 2987.6339 2517.9711 2872.3475 2313.4649 1942.4908 3316.2153 3621.7239 2457.0489 2382.1975 2178.4578 2828.9904 2230.9153 2285.1928 3210.8585 2722.4679 2384.0146 2525.7085 2783.8924 2165.5787 2738.5374 3406.9380 2565.6994 3336.2903 2306.9721 2978.8298 3343.0096 2909.8562 2055.5740 2648.8594 2679.5714 2682.9042 2489.0401 2529.6516 2537.2949 2808.5196 3189.3427 2915.6799 2961.5966 3273.0593 2461.2515 3217.9982 3036.6926
Leu-Phe-Ala-Glu 4094.1396 6802.1097 5485.6940 6664.4005 6211.6805 5091.7057 3613.0455 8520.6835 5523.8249 7774.8502 4312.8662 4435.7284 5337.7950 4334.3986 2721.6172 3845.3097 5485.4633 10358.5972 4971.1717 6819.1411 2042.4297 7422.7065 1890.6935 4861.9274 4390.4540 6617.5113 6069.9813 2577.0703 3741.6434 5787.3368 4672.1379 5346.5663 2107.7897 4106.7630 7159.6448 6061.9887 7413.5709 10186.1289 4647.7211 5396.2608 2976.0482 6427.5303 5171.7957 8061.5797 6000.1992 6528.5840 5081.6428 5893.5937 7547.0043 8166.4058 5457.8141
Leu-Thr-Ser-Lys-Tyr 5789.0027 6136.8626 196.2697 2172.3725 4900.3766 4944.4861 4367.6544 6586.1669 5164.8910 4394.9550 5749.6361 1966.2834 4819.1977 7729.0933 2308.3090 4971.6825 2554.9775 2954.8324 10040.3059 3436.4471 9056.5143 4921.5237 4826.6564 7700.5775 8105.4666 5552.6756 1416.0896 9309.8417 6178.8073 212.1469 7643.3350 5862.6296 2145.4311 2173.3522 6935.1443 8763.7731 8777.6309 5481.7407 10306.4974 9313.0106 16719.1061 30206.0595 10861.1035 10202.0615 3280.8401 6296.3975 6099.3952 5966.1332 22807.8748 16465.8240 1095.5884
L-Homoarginine 2642.9240 3254.4582 5823.8357 4136.8281 7359.6335 11263.5080 1842.7351 8542.0461 21064.1040 700.5584 1707.9628 135.6061 6575.2708 11463.4598 1618.5264 7160.8832 5094.6030 5708.5269 116.1584 2329.6106 5034.0765 7872.4985 1343.6492 4985.5789 15233.3691 997.2983 4828.1309 4937.4305 5104.3293 2266.6241 6363.4599 3737.5045 216.2369 31544.6275 3150.7047 2012.8839 8088.1724 3626.5727 336.5288 5283.6693 18098.3088 6380.0724 2036.7772 13301.5545 5779.3412 12825.1491 5385.2457 5773.3348 5447.5569 4029.8996 687.5125
Licoriisoflavan A 28609.9128 22933.0721 1285.3142 55412.5476 18008.6727 26754.2045 24351.1025 17064.1649 25301.4877 27912.5625 18641.1216 25513.4808 21556.7161 20959.4639 25825.5690 22882.1821 22869.9162 19224.3763 43713.6172 25483.0658 19241.6209 24592.9015 28084.6054 14647.5691 13764.2244 24239.7605 20835.0143 12562.2025 21114.9831 16134.4315 23212.5957 66980.5044 14831.0874 28524.8387 12563.8104 22336.5783 13765.5372 16616.3806 12199.7416 13408.4541 13596.0474 17773.2292 25632.6193 18591.8497 33243.3814 18600.0373 6751.7683 19861.2846 19898.3739 27806.9533 19531.1357
l-Isoleucine 241493.4138 65175.6061 9382.1126 69998.6062 76294.9089 15959.7430 90854.1227 157857.8994 102325.5739 63154.6047 97069.1577 33348.6659 114677.5227 53004.6855 82307.4999 240362.0277 40384.8772 60660.5990 101805.6839 220055.3900 139232.8608 68926.9084 98996.3734 306353.3753 212964.1410 414166.4162 125322.2418 81258.2966 257898.8549 63569.9380 69631.0018 324747.2110 207396.3718 51748.4206 107155.5872 195338.6322 26856.7403 170143.9440 102195.4879 100834.7945 260900.2463 79410.5638 146532.5385 209523.3971 36061.0608 150732.3119 212309.3011 252106.3116 92860.3758 162252.1244 27033.8822
Lithocholic acid 22921.7882 36400.3580 11771.8853 13904.1741 22474.9798 13414.8171 16703.7925 31863.7276 8747.4607 37505.3650 35599.3885 7277.1823 26853.5497 41432.7766 11544.3065 27056.4602 21347.2044 26592.4498 33180.0944 9118.2540 34988.4932 40459.9797 13384.4225 33943.9023 35355.0788 18904.6764 22889.4987 41516.3648 8350.7799 25618.8488 5763.1417 15089.5277 42882.8380 28093.3109 14472.8836 21360.3030 33609.7669 28078.3746 38920.1701 29927.1911 35426.8026 35278.6842 20454.7329 31323.7510 6313.7692 14387.4085 22708.3240 4322.8484 34839.9602 16462.4898 19252.0330
L-Leucyl-L-Alanine 4013.3810 4201.4407 3182.5630 355.3720 2936.6069 29100.7766 2232.5499 98.0027 2163.4168 12277.3450 7385.9081 12062.2306 2536.5941 606.3251 3179.6052 2340.4454 97.8863 202.8714 2028.4201 11051.3431 1222.1677 6520.8720 3035.8240 461.5775 185.6589 2546.5942 2464.7390 11394.4236 6242.3577 3656.3677 5513.0739 5831.0017 908.7286 9188.0748 4066.8989 123.5115 5022.7036 1083.0470 634.7772 756.6124 13066.3359 2158.4734 1985.2369 585.5503 3459.3201 2980.1099 5232.1408 25571.1337 297.0539 2223.5631 4400.5645
L-Norleucine 11676.0663 1578.6180 337.5409 2782.4104 4044.4650 579.8355 4667.5195 9929.2563 6001.3275 2553.7813 6189.4720 546.8098 8763.2046 12489.4014 2367.9867 11598.3991 1180.8801 2136.2316 5265.5428 11209.8128 8571.3710 2047.5009 9665.7555 16928.9360 10391.8504 21922.6769 6498.6896 6702.6860 18118.5116 4286.6028 3294.1510 16026.0623 13364.2900 2420.9818 5074.2315 9910.1019 669.3710 10663.2383 5602.8122 3116.5063 15334.9943 3463.9323 5998.9105 10245.6256 1686.1517 10073.7773 10909.0566 11047.3975 5157.0593 9845.1007 1022.3580
Loganic acid 2209.1209 12943.2635 3648.1190 20269.9043 1073.2507 689.5330 5181.8828 2555.7957 4977.7034 12377.6771 8428.0150 11330.5030 6435.3543 2851.0049 9364.9823 7498.4944 7840.5899 22044.5188 20020.8507 1983.7241 10323.5833 13002.2121 5221.0860 6402.9191 20851.6579 787.9539 3624.5180 14304.5054 6212.6218 6266.0814 6002.0784 6153.9052 6657.6554 8676.6348 6204.3491 7456.4010 18690.8935 4755.4237 10081.4401 11396.7184 29514.2852 13258.4199 2782.7823 16214.5013 4496.3895 5431.0616 1198.9344 5792.6743 16986.6835 10196.6421 2033.8368
Lolitriol 8206.5347 45660.7557 22997.3980 40914.9624 19751.4437 13511.5686 2806.4964 31844.3574 467518.1112 381.9189 49713.0076 48073.7060 15934.2035 43476.8869 41626.3105 3407.4577 3030.2759 80223.5987 125042.1977 5303.8105 63802.4366 64299.9633 26214.9007 727489.0065 9629.0290 14340.5014 67608.5532 413094.8837 68033.7235 6855.5687 97003.6929 10065.3077 26927.9499 53735.8229 50271.0874 192.0231 125726.8527 8778.9172 1014.2147 53159.5962 5456.0835 78568.6890 56026.7694 49827.0961 6432.7019 93766.9931 30306.9003 118340.1811 109755.2228 77369.5328 24967.5523
Loperamide 224.5982 1120.4264 724.9645 261.7052 648.7264 683.4984 622.4697 1405.1869 749.0386 1247.0995 517.0546 729.7144 1051.9441 1212.4859 670.9169 1327.8938 536.4562 917.0540 220.8387 741.2857 356.3318 1346.3433 643.9878 341.9104 1461.3718 434.0095 693.7522 725.4334 764.6233 634.7307 766.0101 66.9738 579.6010 1306.3603 736.7508 459.7113 374.8408 850.7313 427.3872 1022.4209 307.5217 1046.6222 478.5098 1093.8812 739.1289 801.9846 608.3037 747.9390 1249.6395 670.1005 397.3598
Lovastatin hydroxy acid 3151.9058 5357.9655 37134.8936 25923.7427 461.8600 327.3985 5807.2865 673.9885 865.7961 2876.6951 7817.1994 1519.3720 3624.6720 323.8931 8244.4968 3663.8199 26554.3123 8944.6628 37937.2154 248.9554 615.6285 36923.8374 7654.2115 3930.6549 491.5034 11420.2245 36763.4861 1131.3400 642.8234 949.4793 8756.3524 8211.9843 4632.7663 18212.8479 8825.7335 680.2421 55620.9672 1117.1710 1779.3624 7076.5115 1709.4348 1263.3577 2046.7396 1605.0365 1502.7790 3143.2029 713.2231 288.9732 18929.0416 24044.7835 1621.7410
Loxoprofen 1139.1309 122.8011 1175.9666 1066.6014 868.2346 830.9706 1230.3433 98.8360 927.2944 105.4463 129.2341 1049.9353 1474.7781 1825.9023 101.8812 500.8993 1320.1354 108.8829 1286.1871 406.0374 1504.1399 123.6593 904.4009 1210.8684 942.2298 1134.7417 90.8974 1383.9853 1631.7616 1385.3144 674.4870 635.6697 1454.5879 737.2170 99.9687 13723.6609 261.3794 674.3823 244.1037 582.9568 166.8937 358.0806 1767.9037 473.0860 930.8481 827.2400 1425.2789 1343.3098 1663.1125 949.5247 682.5336
LPC(0:0/18:2) 6040.9867 1171.5162 4721.6323 1773.8644 1070.5063 6218.6017 7734.8383 3603.9507 5553.6641 3186.2383 5092.6836 5157.6171 48477.4379 3590.9603 138.8975 9535.7043 136.1464 728.0109 941.3239 392.0242 1371.6958 24139.6764 1120.2183 1133.5802 5601.3458 15031.9242 1393.1644 15997.0109 10714.6672 9298.2797 651.4576 348.5788 5657.9736 1020.6951 263.5660 4135.8780 7570.1630 141.8161 818.1002 679.4377 7540.0671 1202.8941 41102.7210 154.8172 7489.7712 703.9773 8301.3961 936.6895 2030.8621 6095.8901 839.3888
LPE(16:0/0:0) 1925.2577 9557.1798 7098.9237 12915.5994 5997.5160 5103.8300 1159.9189 7214.0590 5923.3691 20645.0475 2181.7528 2505.3950 5636.1113 5713.4187 539.7810 1096.7895 4814.6272 29865.5114 4963.7743 10558.2077 428.1709 27517.2969 4067.5488 3825.6110 2978.6544 16599.5690 10138.4476 4426.5214 1553.3308 7768.6630 2839.3938 3858.6031 530.3364 2422.1623 20756.7798 7022.3876 13697.4669 18062.4940 3405.2707 6689.7963 946.2477 9625.6216 4673.2291 30132.6141 6903.0212 10730.4595 5478.5508 7840.9296 23811.5212 27590.3441 4831.5470
LPE(16:1/0:0) 1949.2412 3055.1036 1770.1350 9657.8336 2865.7805 666.1652 1859.1384 2856.9340 1707.0153 3696.8459 3640.8001 1220.4871 1204.9113 3076.5523 373.0190 4984.9342 6408.7347 1258.1362 2232.2634 181.2073 3479.4807 3375.8066 835.7180 5780.4302 2967.9765 6096.2438 6190.4712 1251.8051 1263.5701 781.2908 2562.0764 710.2095 1093.5701 1523.0937 1425.0943 1373.7512 3395.4465 5870.3120 1117.7513 2766.9290 3351.9653 4890.6556 3495.6636 2298.9035 914.6110 2045.2157 974.1585 3023.5215 8190.3691 3227.3574 5066.5409
LPE(18:1/0:0) 5879.1089 14451.5555 4848.4687 17256.1432 10569.2679 5202.1769 9472.7143 9618.8470 11251.5654 60160.3403 9946.5934 7037.5242 39269.0167 4827.2180 6911.4173 6468.9643 13941.1987 17966.4759 13883.6355 10906.9796 7576.4027 21295.7333 4077.7624 8421.1051 4979.6173 29802.7829 18245.2942 10793.0445 9385.4402 14386.8980 11122.0504 16701.9729 3411.6031 15056.6054 28665.4040 7439.8397 15684.4273 17441.2988 12012.2404 16091.2287 5094.1114 16111.1562 21623.0067 52275.7196 13766.8913 34064.2608 8714.3409 14612.6923 19281.4686 15698.1311 10998.1928
L-Phenylalanine 190288.9737 90003.1952 70949.1412 86957.5310 95503.5156 110198.2912 140866.9319 125269.1441 117532.5478 77615.9808 90205.4330 64125.6860 136658.9424 67136.4342 115670.2834 180826.2898 81160.0535 81891.2260 92929.5589 229074.0386 121476.2793 101647.7011 134910.4497 215114.6838 162133.4348 268144.7047 108785.9597 88831.3581 276967.6482 73310.7610 105712.6806 218768.8781 122295.8940 84879.4742 269117.3061 137229.0066 43867.1582 158193.7470 95086.2223 95865.8519 148195.9446 78365.9511 119510.8110 142069.5124 82411.3587 173267.4016 457448.8282 423698.2987 96139.8720 132240.1719 67174.5557
L-Pyroglutamic acid 8295.2528 1385.2874 664.4635 2410.8932 1504.7842 137.1940 2052.6113 3046.7362 3258.3922 1620.5496 1861.2004 1442.1912 4084.9017 1543.2775 522.6409 3722.3826 136.2637 1023.6355 2602.9195 3606.4800 4789.9794 4958.2859 1090.5776 10037.4712 9370.3815 8632.3370 4884.6088 4664.6559 9930.9320 580.3185 3079.9301 9180.2773 3287.8775 280.8989 3136.4748 5266.2759 232.1211 3807.5862 1317.4999 672.8238 4211.8768 656.6545 4389.4155 5843.3677 181.1391 5032.4173 6207.1827 1994.3710 1048.3639 5059.8150 1965.8190
L-Rhamnose 475508.4336 57658.7176 537179.5938 13159.6583 349848.6946 823120.7767 603038.2116 1151068.7210 226710.0468 66435.9200 585252.6385 422674.9441 190337.1809 522590.2302 285294.5277 97082.1638 134794.3148 228536.6705 324173.6941 20942.1248 70005.4740 125944.1987 584519.6054 55818.3941 199169.1054 985297.7095 208033.1282 362446.9524 742400.7508 74331.3073 129508.1088 605366.5493 466191.4321 548164.1727 344919.1779 411634.4143 507629.4574 68590.5913 232368.3686 166732.7247 630018.1479 44231.9097 159281.6920 238666.9696 89654.7962 58967.4772 578365.1180 159110.5086 284558.0729 680341.7714 243244.9483
L-Stercobilinogen 81613.7108 29674.4508 20084.8337 675.2406 1040.3280 59311.3858 51878.3632 2531.9293 94991.9367 220555.0610 159221.6369 56257.4803 70810.5757 118613.3680 68249.8867 74783.5108 77299.4134 107168.4752 286266.7703 64277.5132 27649.4595 56560.0842 53244.5100 50449.8576 394990.2305 16414.5505 8844.3765 635.6008 86138.6970 16044.3221 99171.7157 61595.0832 86216.3864 63221.5592 67706.6338 166704.5272 223205.2423 81754.4211 332510.9399 135432.4435 677212.6797 151873.2339 141693.7509 303903.2324 2712.2508 65319.5717 109963.7578 68052.3815 3158.6992 91921.6580 106.3141
L-Tryptophan 22673.0107 7787.8787 5895.9210 8305.4470 9100.7440 2874.2618 2727.2624 14501.5376 18487.0253 10316.8162 9340.0308 7073.8945 12902.2380 3622.9417 14976.3507 22826.7819 10268.2886 10737.4771 12013.0163 12926.3782 9590.5013 14775.2781 3340.7397 38339.9319 25062.8881 36733.8688 18754.7168 10610.6433 35906.2708 4814.1862 9204.1712 29698.2373 10102.0727 5181.7304 16660.0275 14844.7834 4153.6385 18681.4295 9831.6408 9446.8356 12925.0458 7785.9042 10220.3609 13780.5738 8238.6927 23958.8451 18020.0294 9173.8801 8909.9559 21550.9852 7213.1405
Lucidenic acid D1 22957.9507 1863.5312 54910.6675 41.6047 25461.4574 1553.8497 11368.2627 3054.7334 89707.0707 26535.0068 1903.5709 2443.8319 201817.6545 340414.8687 21743.4287 13369.5918 1981.8235 309.0379 167.8090 6902.7009 2253.6703 2466.4509 518.7416 53970.8161 35056.1071 44879.9171 2902.7978 200940.7407 48225.8644 31829.2308 28059.6469 149674.2382 6652.9332 14268.2085 61953.6301 1922.8892 311.0176 19992.5891 479.4702 3276.8426 4404.4243 75209.5542 327.5298 110.6493 5705.3700 79564.3321 69089.6461 10279.0726 13016.7418 516.2209 11949.9835
Lucidenic acid K 51739.9478 476.2710 80149.8312 174246.2179 29285.0418 267181.2641 62169.0453 5862.5201 328091.6155 25042.0189 204452.1598 6309.0035 149863.8692 1546402.7240 780.3107 1048541.3370 160529.8501 100761.0820 237369.7852 11526.5665 206708.8840 9256.2205 29390.2700 293884.9778 111503.3117 310592.6566 1443.2808 1844927.3580 518033.4744 6214.7016 1649030.4500 26667.5638 402.3658 7453.7230 56218.5173 4951.0787 481041.7919 11926.8445 280419.5605 211800.2845 664.8590 103685.3772 261368.7450 142721.1643 6654.9254 247158.5797 741506.6841 469905.3813 240.0218 218607.5657 26005.0941
Luciferyl sulfate 1622.9284 238.1563 555.0079 216.2015 400.2469 376.7837 508.6477 241.9357 491.5390 537.8513 121.9612 332.6711 296.7620 593.4748 129.2017 136.1220 140.8556 98.7271 273.6636 233.1462 333.9524 390.5466 339.1532 368.6339 134.6999 349.7524 203.2967 492.4549 157.7572 116.9518 600.4375 96.7153 169.3060 96.7632 265.8459 278.4430 133.8930 324.0935 432.2110 549.8836 240.7568 96.6868 258.6302 206.0106 166.9540 243.6426 403.8875 290.0138 246.7865 298.2042 95.8340
Lys-Lys-OH 16283.7798 65596.0728 29091.4638 17438.2306 43717.8425 43984.5331 28286.0905 681.9541 2525.3969 59849.9857 81662.2858 534.7066 445020.4277 391513.1352 104109.7671 138941.8425 1858.9963 1594.8239 14916.5704 2215.2862 13355.7115 85822.7446 55542.8371 51209.5932 3130.6534 133162.4108 28800.9853 1917.8604 366943.3236 12773.6462 10220.1455 9558.0994 43067.1867 30356.7548 816.8696 607.6481 55603.7559 2333.3108 1304.9873 97277.9392 20970.6577 2654.5181 169427.3223 58841.4339 48573.4879 144768.8327 265619.9344 731.5735 8074.5828 2891.0792 781.3998
Lysopc 16:0 1792.8421 1325.3350 2585.2749 1199.1342 2196.1341 14731.2988 16903.9691 1243.6840 4839.0604 1703.3163 3870.2869 16191.7794 11646.2850 87.9316 757.2885 1558.6109 9692.7586 2555.2776 577.4548 10526.6331 7227.1367 10017.9121 28455.1719 9565.7972 5458.3781 12334.8698 8221.5243 1337.6709 8350.6792 195.6954 14763.8766 4129.9295 797.0126 2550.2310 3182.8045 7440.7279 796.5520 2332.9731 667.6496 1246.2522 993.9954 2967.6166 44626.1131 6570.2551 10160.0032 14641.0923 10430.3162 38269.1745 4848.8870 3574.2973 6519.1223
Lys-Ser-Thr-Leu-Thr 3731.0488 6116.0678 144.7231 3566.0534 3840.2457 3425.2175 3322.3839 4067.3192 4355.9075 6934.3461 4970.8968 3326.1766 4144.7119 5386.9381 3001.5887 3817.7304 5488.1386 7119.6225 7400.6307 3507.1954 5979.2475 4860.5780 3118.3852 4352.2152 8926.0790 131.5800 2626.1089 5372.6928 4047.6048 4077.7321 4604.2505 3904.4786 1602.3152 3752.9154 6788.2500 7849.1057 5352.3790 4324.8990 7056.5524 7547.6628 5877.8554 3282.4006 5992.6184 7376.0910 3580.9972 3786.3398 4097.5663 3314.0706 5801.9824 7530.0279 2323.3419
Lys-Tyr-Ile-Glu 14084.2152 45882.1166 35271.7650 51476.9787 30873.1065 29850.9829 7170.2254 59911.0830 369241.5070 3786.1947 1851.8997 3181.7265 27732.3442 59421.8236 439.9106 6526.1097 8264.9003 549.6609 3513.0589 14048.7953 54812.6330 105802.2756 56271.9043 693604.6163 21710.6201 36314.8342 895.3409 300561.3863 80906.4487 11886.3637 106518.7953 22633.4145 43205.4961 3392.3474 37177.6774 3725.6675 2819.3514 16092.5252 5548.4314 1209.9352 8567.9929 55949.7482 28456.0326 3067.4019 17582.9714 117458.3505 37883.2219 150334.9422 39280.4903 2724.7904 481.7854
Macrocarpal B 1547.6949 1448.9139 1331.6674 360.1578 1571.1746 1100.8069 207.7410 1941.5062 1886.1583 1193.2970 3206.5417 1342.8502 1721.6066 1625.0303 1062.4785 1273.5542 1526.8805 2464.9198 2939.0638 1523.3909 1748.2655 1920.6066 997.1657 841.5475 3978.3171 1296.6853 2045.8377 2137.8172 1717.4950 597.4347 2408.7800 750.0403 3117.8601 1755.3917 1465.1500 1832.4368 2224.9096 1884.1008 3093.8192 2857.4597 1276.6729 1685.0799 811.4494 2250.3983 479.9781 1279.8623 2013.4672 2829.0863 893.5906 1014.3309 291.0246
Malathion monocarboxylic acid 1814.9719 667.7206 1574.3122 2992.6923 2663.0030 5694.8243 1262.1053 9404.4573 5193.7101 1218.1494 11041.1677 2767.5654 3380.8299 788.9715 2853.5468 720.4791 555.3843 2192.5283 6178.5650 2275.0194 976.7607 3166.7224 3049.3362 1001.4723 4520.1201 6845.8060 2471.6333 2985.9873 9316.0657 1296.5690 2363.0211 2639.9746 5209.2830 9875.9305 1684.9437 5706.2601 2323.2594 938.6074 4602.9404 3660.0557 10433.1613 531.0340 3729.0915 4138.9571 954.0863 1427.8520 9682.3774 576.5456 4718.2047 12355.8121 1079.7015
Matteucinol 3374.8969 205.7845 20358.2570 153612.0269 1069.4095 9192.4185 6391.8380 782.1516 11148.2372 2639.1816 17126.0567 23713.9588 26749.3140 4450.2772 38660.7533 38351.5815 5121.4604 18131.8390 224.2218 7733.3298 81.8013 36469.6466 27403.6193 10900.5208 34319.1915 4045.1723 19596.8261 3455.3546 27181.3037 7590.9173 43927.4707 31345.8287 30629.1227 35167.2801 8872.3260 1890.8678 22619.4999 639.0613 6938.7013 8760.9151 7709.7875 4429.3674 275.0594 301071.6084 2103.0186 19645.7782 91.0008 336.3258 912.4933 4239.5557 6800.7460
Meclofenoxate 6887.9602 1311.5648 823.3771 503.0579 839.7184 1204.6114 1253.2872 1474.7081 735.2154 942.8810 112.4124 975.9269 123.3430 1422.2929 134.6129 2266.8571 325.3506 819.5401 1638.4244 205.4766 1021.6208 587.2005 1106.6878 2171.1488 715.0620 509.2697 233.9538 1103.4493 1664.7735 493.4515 7201.7188 930.0089 786.8040 116.5650 1675.6382 725.2080 475.3939 815.7372 153.6467 688.2657 2179.8887 1319.8516 1041.5162 1725.6736 584.6663 100.3395 1121.9503 346.0289 1830.5101 682.6419 854.5637
Melithiazole E 4197.5755 6970.4535 3352.3133 1566.6332 3221.9686 6323.7233 2966.2099 3735.9447 2959.4338 4241.6022 903.3322 3680.5842 3117.3885 4364.4086 3664.2310 3885.3325 1012.6282 415.5685 7793.6387 3252.1751 10058.0578 3220.5597 3308.9960 1101.9654 404.8784 3648.4719 7157.9127 4228.9806 3813.1382 1128.5242 3755.6058 3291.3926 2050.0396 3257.2121 2340.7788 6115.0396 1482.2352 3780.7456 6245.2043 3407.2930 5182.2900 7293.1414 2248.1724 1687.1230 3579.8487 3590.6333 3655.2643 3262.7678 17642.5650 7926.3885 1704.7867
Mequitazine 603.8963 396.5172 303.8315 698.0284 585.6788 742.7061 187.9379 150.0025 2224.6951 478.7611 694.3368 602.8132 594.1256 1922.7716 616.9646 764.4902 135.2236 508.5329 522.8362 535.3498 144.7369 184.5150 672.2212 1921.5969 786.1753 506.3339 612.7542 1534.8564 496.4747 2440.4969 2259.8260 165.6051 1302.9685 660.1846 734.5166 374.7117 476.7810 1023.2543 782.1797 653.0820 886.1658 201.2754 682.1677 580.0971 329.8481 1483.7672 788.8677 684.7887 875.6837 304.6464 808.5785
Merazolam 17794.1378 14990.3758 18495.0641 16701.2369 16822.7776 18446.5641 18887.8720 16567.0531 14914.0796 14407.3573 16315.1713 15846.4747 15493.1461 15858.6711 17153.8972 16058.1865 17069.4235 16724.0937 15004.8081 17023.9422 15837.3044 17161.0182 19814.4496 17103.9865 18681.0148 15380.9003 16879.0502 16124.6367 16460.0757 16118.8754 20347.8810 16968.5048 18005.6335 19129.8247 16144.6256 15693.8769 16354.0742 14929.2731 17795.1705 15531.9164 15171.3524 16130.3722 14887.3067 17418.5613 15575.1241 17781.0988 15151.2177 18157.3476 17104.5778 15913.3912 18145.7089
Metalaxyl 1759.5577 2307.9052 1809.1450 1930.9273 2819.0869 127.7468 2066.8428 1264.6240 319.0988 917.7827 1618.9173 1197.8338 1399.2201 1433.9620 1223.9022 2139.1266 737.3396 2259.1299 2238.1757 1968.9877 4772.1072 4951.4525 2112.0963 696.5201 1729.4363 117.9856 4714.6269 1056.7056 2398.3462 2497.1382 2951.8853 180.9615 1811.7849 2283.1964 2010.5384 1037.9133 2202.9514 2186.6563 706.2953 2758.2524 5046.0333 2110.5757 6754.7268 952.9204 7298.0167 1387.8659 14757.8527 1297.2443 2300.6112 2331.9654 1366.9817
Metaldehyde 4993.3653 27706.2379 216874.7873 5117.1379 718.5960 16329.3291 7097.9102 1225.3445 9440.2881 5182.2844 2056.5173 642.3943 7533.4726 2177.5423 2397.5822 19202.4964 3488.6378 4149.6527 337.6257 569.8184 2585.9934 57.4647 3230.6752 800.0824 1623.4952 814.8528 12189.6081 4299.0599 279149.0271 2723.6589 1643.9899 7283.5581 1309.1723 15705.2776 22418.0769 3392.1396 5253.3464 36752.9503 32661.3119 6168.7938 364.4516 1248.8431 390.1455 1103.6961 17096.1505 36387.5961 3618.9382 9839.0706 3201.1460 4904.6132 319.1638
Metformin HCl 9419.8563 5422.8043 4199.8186 5016.9780 5777.7507 6462.5834 7748.8883 7475.4080 6518.2632 5560.8562 5308.4892 3875.7708 7219.2697 4133.0377 6620.5184 9976.6981 4342.7382 5050.8943 5271.4138 10671.5094 6904.6532 5878.0805 7368.8677 11843.5476 8796.1814 13825.3257 5924.0539 5453.5713 14095.0985 5038.8881 6645.9031 11358.1374 6899.0602 4742.3669 13360.4774 7522.5524 3277.5040 9744.3523 5391.0888 5979.0299 8354.8414 5375.9949 6624.0689 7333.8932 5051.5794 8959.3331 21165.0576 18628.3411 5736.8824 7361.9912 3959.9622
Methanedithiol 1192023.9950 954808.2650 1192009.3380 1034074.8150 1101740.4000 1301369.1050 1085435.9840 1114904.1050 1467784.7850 1435765.2550 1421341.9740 1008789.4330 1427556.7700 1269563.6770 1309893.8670 1190124.0870 1102754.6540 1044169.7500 923954.1219 1050378.5230 1003959.6340 1109913.7980 1319971.8520 1202499.2950 1167614.0750 1206846.3090 1199652.3650 1322330.0450 1222161.7140 1136276.2420 1185588.6510 1243102.9410 1204714.4010 1279367.7650 1232669.1520 1237088.8100 1183978.1680 1188292.3410 1181222.5030 1182752.4180 1179977.1680 1162435.5110 1307651.7570 1136893.4480 1392009.6790 1237637.0840 1214070.9010 1201129.0130 1340520.3440 1263580.9200 1224152.1990
Methazolamide 3082.9292 2418.5752 2357.7061 1891.3707 2850.5853 2486.3694 2223.1595 2328.3115 2235.8892 2170.0054 1721.6067 2151.4866 1828.2412 2237.3793 2578.6798 2891.4643 2601.2916 1806.2231 2369.8021 2370.4551 2307.5462 2752.8761 2445.3821 2346.9846 2802.7409 2519.2002 2505.5800 2217.9482 3021.5453 2269.3089 2713.9588 2337.5721 2466.2757 2073.2162 2446.0936 2271.2242 2038.8884 2263.3289 1460.0127 1590.8714 2119.6540 1403.3092 2001.5298 1619.5297 2051.7065 2820.6334 2047.2487 1886.5826 1985.3471 886.9767 2639.8943
Methoxyflurane 836.0575 481.2893 1088.8744 735.0754 952.8845 895.7180 857.0081 867.7042 899.9679 735.0005 933.5700 924.4594 861.2177 905.6592 807.2196 660.8574 1156.6221 1041.9240 883.1908 932.7633 778.8780 969.9953 1257.9695 850.8473 824.4929 685.4655 806.8066 639.0160 651.0816 608.3723 814.7427 907.4452 723.3424 764.2017 603.1605 639.0507 693.6941 337.8621 312.9396 653.9516 632.1184 319.7577 428.5819 692.2342 843.9843 711.6742 676.8823 364.8238 912.4199 286.7966 336.8577
Methyl 1-piperazinecarboxylate 1065.3672 312.0201 1626.0613 489.0313 768.9785 973.9597 1391.2378 709.5508 1528.7175 848.1184 1504.5194 706.9362 1379.5069 352.0169 693.6651 618.7653 274.2668 1046.2795 1200.7269 68.5392 1277.4921 1616.5879 387.4914 1693.7646 414.5064 5031.2188 1173.6751 357.9854 2255.5114 138.7472 24470.8033 762.7592 1594.8257 385.1723 237.5317 433.5234 409.8211 761.7585 528.3608 988.6896 1405.7222 807.3555 2645.2444 80.5918 624.3908 775.2723 640.1599 559.0576 460.9421 2427.4988 62.6649
Methyl 2-[(1R_2S_5R_6R_13S_16S)-6-(furan-3-yl)-1_5_15_15-tetramethyl-8_14_17-trioxo-7-oxatetracyclo[11.3.1.02_11.05_10]heptadec-10-en-16-yl]acetate 4929.1486 12905.1896 12949.8458 10467.9414 3300.2682 13395.3067 8590.6129 19129.0368 41072.9676 17660.3796 16164.3967 945.2135 7309.9582 119846.2992 13654.7477 8730.8596 8056.4239 6799.0694 200.8807 6481.4945 13071.7573 1441.2774 14868.5435 40832.0502 2031.1346 22058.2632 11538.7563 36342.4279 26246.1257 169.9970 26616.8355 6357.3650 214.1828 13820.4395 16183.8522 580.1284 400.4625 709.0692 11829.0961 9346.0259 16759.6749 15050.0589 15503.5325 8537.0005 12752.3037 11198.5788 34527.2323 8494.0799 14137.1121 12192.5224 12410.4623
Methyl 2-{[(4-methoxyphenyl)carbonyl]amino}-5_6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate 1830.4613 830.0189 2551.2716 2548.7000 4832.1006 1368.4465 225.3081 2365.3485 603.0185 1250.6667 2916.5461 2281.3612 2067.4665 2039.5320 2436.7068 538.3225 1473.6898 4189.0744 3257.3356 2677.9030 6379.9614 7617.1144 2765.6731 1041.1437 477.9433 714.6665 7294.6322 1482.1750 3526.5132 2993.9633 4097.2320 1052.5612 688.3719 3882.6379 491.0708 1703.1834 603.5495 2012.6239 1392.4342 5092.9168 6950.9958 451.2292 10268.9277 2061.4169 12163.6252 2323.2760 18420.4430 3029.1832 3278.3306 3522.1279 2886.3408
Methyl 2-bromobenzo[d]thiazole-6-carboxylate 1376.9922 1714.0395 1177.0056 349.0806 611.1781 1229.9387 1469.3156 1941.6205 1258.4631 310.0475 1241.6792 1213.4038 2011.1657 2130.1700 1363.0782 3457.3193 1005.4733 1219.2442 1358.5017 1146.2574 1312.8495 1260.4137 1369.7523 1428.3579 1319.9818 1277.3870 1532.0567 2277.9719 1442.8033 1371.3500 1482.4335 497.7945 1625.1756 1178.0689 294.6154 1461.1817 635.2885 807.2123 1390.6836 1630.2900 2551.5199 623.5371 1056.5406 1071.3970 920.7448 1027.4657 1287.3851 1851.6130 1337.3450 1073.3337 999.6623
Methyl 5-[(2_4-dichlorophenoxy)methyl]-2-furoate 4297.0294 1162.6474 3963.6228 1182.5024 283.4736 3499.1390 2871.8348 4964.3361 1241.0603 1275.1314 1809.8901 3158.8413 898.8458 2270.6947 1785.2875 1722.2494 506.1166 1106.3888 321.0128 1650.7644 1322.7782 1244.0588 2695.8911 1752.3667 686.3177 6355.6833 1146.7152 997.7707 3624.0197 1153.3489 1102.8286 7685.4853 1355.0126 1544.8119 1609.1582 829.9101 611.2202 1789.1875 1170.4101 913.6009 2147.5694 1445.6403 1538.4864 562.4117 257.9340 1843.5135 1024.1123 279.9069 1167.7738 3632.1865 300.5631
Methyl 5-bromo-3-pyrrolecarboxylate 5280.1328 5725.8892 5741.1599 9043.0260 5487.1768 6076.5048 9098.3819 9567.6869 5895.8725 5824.0375 5828.9206 5061.2856 5619.8418 8490.5045 5623.7781 6128.0202 8645.2001 5490.8665 4975.1214 5657.5916 5125.0508 5951.0224 5075.5178 5737.0080 5653.3192 5892.2928 4324.5659 5130.6891 8545.9368 5397.4150 6248.3905 5839.4454 4373.0223 5899.9067 9495.9344 6237.2490 5910.2595 6211.1768 9009.3114 6204.3630 5316.7172 5370.3786 6383.5012 6257.6931 6358.3369 5955.3488 5449.9975 6031.0953 5042.9217 5868.8821 5951.0900
Methyl 8-bromo-6-fluoro-4-oxo-1_4-dihydroquinoline-2-carboxylate 2245.4443 1628.0905 9785.7452 805.9548 184.9349 27304.6176 1637.2055 1060.5957 10449.2183 727.7346 768.1955 160.3725 2908.2359 1023.0487 4864.5455 1894.4987 1572.7334 196.1148 1994.9268 4947.8204 3911.1538 1601.1686 9091.7574 880.8565 196.4959 163.1690 1418.2380 1017.9227 451.4222 1533.8330 4348.5445 180.2573 753.0931 703.1677 3273.8731 1167.9435 1984.0842 244.9208 1929.2663 2583.2253 2484.5538 1148.5809 2357.5248 1384.9488 5704.2442 241.2342 2881.5576 14370.0601 3254.3268 966.1321 1829.9422
Methyl(9Z)-8^-oxo-6_8^-diapo-6-carotenoate 8601.9665 7151.1947 9169.1740 15628.0740 8896.8437 8699.6086 8360.2345 12230.4252 12060.7710 11199.9171 1131.0981 2877.6196 11008.7753 13100.0562 167.8500 10051.8359 2512.2580 8921.8945 23883.8608 9996.0024 116044.6491 15368.0934 6755.5113 2010.1776 2901.3876 452.3466 28694.0121 15882.4847 9012.7308 6182.4291 711.0143 10600.9686 5326.0600 727.4727 20476.1265 12584.9299 12742.2525 11863.3292 17923.6046 29437.0967 12303.1231 33040.4148 26056.6972 12482.7601 10414.2001 9357.4452 12793.1039 6945.2213 107081.0573 14300.3496 6726.7041
Methyl cellulose 89775.9698 112469.8732 2251.6655 86958.2718 38384.3073 919.3125 124520.1848 76719.1041 1122019.7710 251450.4601 139400.5070 24008.8134 176588.8884 2212707.5690 124514.6269 277.4623 118.9577 64274.2809 9609.8506 77542.0658 200811.8735 89267.4989 2687.6638 59216.2686 37987.2812 424786.7773 982.4690 1688011.5420 532691.7400 7456.8636 324110.7537 40055.0040 480.6811 5460.4785 56288.7461 14676.8260 398404.7510 7739.5562 156120.1575 110.9928 103.7931 44382.7413 165195.9018 63916.2553 147070.5102 100790.0852 436750.7147 285542.8623 174692.9713 183692.6476 3816.2733
Methyl Indole-3-Acetate 1829.4459 20966.4527 5243.4333 12858.1596 39967.2320 3194.0620 2847.4492 11209.8202 11709.8184 30535.5202 14958.6080 7159.4733 18080.2010 23559.0417 14000.8203 15900.0711 16973.8932 4976.0999 43674.0504 12165.6589 16457.6407 22943.4919 1775.3250 5035.6738 35546.7679 21012.4787 20467.3816 15425.0858 5815.2918 20430.8425 3422.5934 11392.1625 18805.7001 7514.6104 4871.3511 22761.2693 18076.2810 11487.6539 35153.8276 23075.7205 18890.9670 7140.3099 23244.5628 20070.0687 7646.6687 7573.9525 4676.3239 10233.4255 4023.0407 3722.4910 15213.7837
Methylphosphate 5333.2714 6152.0708 5543.9641 7050.2017 5420.3630 6554.5750 6171.5119 7022.4904 6067.5619 6273.3399 5981.3263 5685.0862 5543.7483 6465.8767 6002.3896 5215.3075 6110.4318 5676.8955 4753.5022 4611.4525 6331.4780 5633.5713 7437.7406 5659.4373 5812.7352 4891.6595 6242.7847 4491.9641 6067.1595 6042.4987 5848.7219 6623.0878 6517.3082 5265.8773 5186.4158 6512.5973 6251.9032 6424.6888 5571.3035 6444.5761 5068.0380 5174.8812 4685.4956 5518.5382 6934.4217 5407.8532 6133.8400 5369.8749 5875.5812 5179.1845 5969.9196
Methylthiouracil 5429.8321 2533.0345 11674.1726 78.4094 13673.5528 7544.1745 17217.8261 2832.0811 5258.3664 178.3223 1942.6735 4772.8211 4074.4163 1089.7376 4501.9726 4913.0284 11118.4587 6463.4867 499.6889 1152.8581 61.1608 2467.5974 4837.5810 127.2213 233.5873 1034.7283 2509.6979 3279.2658 2705.0559 1280.0583 543.2848 8370.6713 3259.8926 729.2273 12509.0866 2848.1593 167.4926 1071.0607 438.2011 1299.6224 1395.9615 1877.1172 72.4123 3008.1101 8928.1895 268.8102 612.0727 6168.1321 3833.9503 69.4733 7858.1255
Metsulfovax 1744.2275 2225.2815 2052.8505 2599.6395 4296.9029 1876.8615 541.7211 1302.9078 1929.3494 2364.9698 1659.2112 2512.8499 1856.3652 4658.5782 509.8936 1777.1428 3161.6905 2870.7008 2413.2776 2273.5170 256.5164 3981.8642 1782.0258 1577.9308 1734.8427 408.1910 1308.4603 1224.3209 1992.4994 1919.4369 1553.4936 1598.9450 151.9426 1801.7320 2596.8706 1260.8377 2007.1550 1577.4251 584.1649 259.7212 716.8327 1413.8680 1170.5740 1869.4526 3536.7638 1948.7423 1744.5217 1848.2677 1064.9744 1817.0999 2050.8371
Mevalonic acid 5-pyrophosphate 16224.5263 792.5339 1185.5009 1458.6356 614.7379 2965.5499 84.3104 2874.7075 1188.7734 1359.9260 1013.7249 379.6707 126.0897 341.5576 1780.2141 5647.6762 613.4010 1733.8297 4588.4026 168.7464 988.8204 1318.8536 2708.2439 3930.5750 1004.8566 2555.8108 1069.9083 350.8374 378.1468 1907.9262 24922.1771 1783.5187 2102.6930 627.2118 2428.7635 2363.5141 3619.1969 2222.5895 2494.7785 1255.5437 5620.3540 778.7332 987.2339 2607.8446 64.0042 346.8348 266.3599 520.9025 5923.8058 1159.7599 1173.5830
Midodrine 5778.4537 7247.2613 27286.9788 1363.1495 2666.6434 9899.4792 4988.2308 9501.8042 1286.3993 9724.2257 5587.8992 26731.9755 558.5055 1468.0658 2406.5896 6573.9605 3869.5235 13223.4248 8045.8760 5607.5723 1935.9131 7791.6328 15396.1205 517.8489 550.0309 17744.0732 13353.0226 6509.4417 5044.7087 3817.7475 2959.8853 8803.0063 2176.2248 239.1148 47399.0662 5815.5703 5881.7122 9491.4872 104.6584 103.6576 552.4547 13108.6798 7206.9307 7432.0078 3930.6450 584.7851 6360.1494 11223.1660 1794.4136 16469.9876 1749.6131
Milameline 126.5957 2326.0889 833.6966 2781.6836 2074.8874 804.5154 428.6819 2093.8067 1614.3308 1992.0800 4717.4021 648.4546 547.2063 3391.4757 256.6892 544.7084 1804.1104 895.9443 4317.7959 639.2426 8264.0457 545.3466 2012.7590 1180.9418 1199.1065 1596.2046 3113.3013 2069.4850 1274.7746 5310.2599 732.4738 879.4105 2529.0307 2287.6012 880.5678 2738.1945 13089.3877 1833.5060 7592.1502 3614.2476 5384.8682 3251.1056 4508.7868 1447.0242 416.3005 775.5665 695.2090 618.2257 6690.0778 1185.8298 543.2135
Miserotoxin 1340.5466 329.7223 2184.8496 917.2510 539.1463 272.8812 446.3478 5323.9999 1192.4850 2062.8367 742.0129 584.5337 121.1513 485.1459 143.1657 1449.4687 717.9893 1059.2719 1616.0910 172.4209 302.8365 1867.6489 2607.1313 1693.3263 1281.6055 2618.3962 2310.7000 3114.9065 1143.1927 1146.4331 906.0918 541.9654 3091.1231 3989.4649 963.8408 1389.2070 213.1596 867.5434 283.1340 2154.0207 692.5310 640.5565 2342.7500 1112.4176 157.1070 331.3867 1697.2987 1103.6497 1308.9650 2186.9659 681.9720
Mitraphyllic acid 9186.9200 7013.3976 7636.7462 7001.0905 4805.7475 14264.7727 1404.7148 6631.5468 297.4785 7215.2439 1740.1724 11986.3243 339.4772 7513.5805 2427.5299 1917.9407 2854.7633 6741.7284 6040.4445 40309.7299 5406.1467 361.2689 11042.4072 7500.3410 6635.0760 1916.2103 4945.0779 4116.9141 11521.8961 6711.2764 6860.2423 6875.6728 6671.3844 8975.7890 6202.8804 4580.9316 8108.7601 6491.3611 7183.6552 6006.2271 7680.2572 6637.5628 7027.0900 6810.8985 1729.1922 2013.5985 6639.5206 36618.7892 6222.7094 4139.0827 7291.4526
Moclobemide 147.5387 1160.2316 1009.4534 1134.2426 1614.3277 952.0773 1140.7722 474.8669 177.5835 160.6902 601.8638 743.4736 168.1753 1500.9194 796.3204 1078.8582 288.6135 1131.6880 3214.9513 1455.4581 1546.0992 2895.6025 1178.0813 830.5552 945.9176 845.7879 1797.4466 935.4464 1008.5087 1048.3560 1077.2125 956.8921 974.8832 1107.8719 1043.4573 322.2625 1094.4005 760.1537 155.3350 1404.9337 1227.3672 1120.4337 2604.5362 353.7079 3503.5781 658.7521 2562.6025 1247.6053 1106.8819 1111.7547 645.0390
Monohydroxyperhexiline 180.1980 737.2585 1314.6616 1084.3115 2374.3845 8257.3267 3768.4313 4650.0639 2602.6345 185.8120 295.8923 4130.0616 707.5872 25516.4323 3582.4041 4119.9121 2760.7480 1869.9662 2530.2050 545.6001 5042.4439 1949.6181 4417.7459 3148.4946 4828.0937 4742.3981 2578.7205 3578.1752 7135.3127 331.4713 4176.9293 4368.6875 1141.2919 3763.5702 3259.1240 2640.7375 3409.0558 2915.0001 4016.2048 4169.9527 4736.7640 4484.0848 3471.0263 2928.0749 4101.3769 204.5513 23669.4696 194.3642 3642.6098 3705.2080 2453.6452
Monoolein 2803.5448 2101.2594 497.0290 618.3092 12965.8031 7722.7458 2760.9420 9870.0321 514.0699 33645.4116 10143.6561 4405.4102 79681.2570 55322.9677 25100.3220 4118.3120 304.3755 485.6846 99.8704 12419.0591 8569.3847 163089.4339 11777.4878 10494.2215 19410.9390 26275.1584 2667.7764 98.7926 7605.6589 774.9862 5334.4047 116.7989 9758.0361 1280.1932 10047.1400 10687.0804 1398.7798 10391.1153 14474.0930 8568.8154 19148.0039 544.4097 946.2283 16043.1575 1630.3795 1836.3130 11585.2264 748.0097 10644.3311 1975.6809 561.9211
Monuron 63848.6136 67138.9744 68686.5342 65356.2306 63555.2168 69176.2972 71616.9228 57553.8595 63042.8023 66382.9484 60273.6476 63904.7813 66185.8936 64084.1294 67012.0875 70282.7969 64503.5712 62497.0667 57337.2774 65206.9677 51799.8739 67337.8344 68106.6681 61853.9237 62156.4015 53585.0340 66054.3561 62945.4842 61477.6384 62505.2420 56600.6917 60074.8563 55999.1761 62906.8863 64062.5295 62047.4827 67437.3733 69711.4043 65287.9386 62087.6547 45736.0897 63707.3578 65109.4510 64141.4649 72889.4272 65267.6179 66394.9944 69522.0285 49501.6023 54131.6559 64645.8632
Morphiceptin 296.2677 707.2805 622.4360 694.4721 951.6841 421.1617 107.4041 898.3245 239.0220 213.4404 667.8590 469.9732 873.0874 463.4439 507.7757 516.3425 221.8815 988.6187 351.5981 704.0265 479.1314 779.8459 481.2382 725.6159 439.8246 769.0791 687.5601 576.0183 486.4454 361.5522 136.7122 986.8863 266.0635 430.3809 781.3033 414.0562 838.7054 997.2050 130.0109 232.8409 473.2895 733.7189 269.3354 635.9013 446.9887 469.3392 478.6505 809.8073 979.8191 682.2221 562.5474
Mycocyclosin 3291.9728 8779.1179 297.6643 4308.8144 2500.7763 196.3581 1759.3860 2020.0588 843.7999 4195.2341 6525.6015 1221.0420 3372.0560 4073.6380 2288.1534 3882.0257 2675.4913 2173.6217 6487.2183 434.9852 6479.0600 3582.9776 653.0416 23330.5135 1733.2661 5257.8400 245.4247 5024.5373 3944.7826 5141.6949 297.2939 3765.7289 4856.7869 3455.3971 277.7003 6034.3797 2821.8864 3253.9975 5914.6312 3671.8704 5072.3185 2394.1365 5965.5084 4938.5843 940.0759 4046.7539 3594.8501 2227.7374 22754.6254 7577.0081 959.5394
N-1_3-Benzothiazol-2-yl-3-oxobutanamide 3503.2094 1191.5927 1079.5064 999.5087 315.6098 1137.7006 140.0819 145.9551 751.7163 1225.1646 1064.7078 1317.7562 1206.3898 1497.8353 756.9619 943.8253 886.1632 1162.6411 1122.2209 1330.2474 1305.7270 1466.7436 1206.4040 1270.1457 1042.6034 1142.9322 136.2356 1477.3256 560.3402 1321.8794 3204.8731 1208.7484 1367.9365 1822.5937 964.2279 1052.5439 2224.5682 166.8418 1333.2293 284.1502 1334.7878 1309.7480 1160.5685 996.0395 544.4571 4043.4639 2374.7421 1844.4013 1187.1858 167.8422 1082.8960
N-(1-Methyl-2-oxo-1_2_3_4-tetrahydroquinolin-6-yl)-1-(p-tolyl)methanesulfonamide 4433.3754 14425.7375 2478.2818 5118.9928 2415.3874 4056.7662 1000.8283 4761.8716 9236.3828 5169.6260 4774.8522 6340.4414 3980.4974 347.4971 3689.8651 736.9096 4826.1276 5311.6385 6245.3353 5292.5060 5982.2414 11390.7288 1606.8045 4495.8729 5174.9326 5516.9415 4649.0787 5138.5484 6307.8451 5726.2631 4448.3368 6633.6241 5041.7951 5457.4065 4794.8662 5124.1578 5973.3788 4364.3157 6106.5570 4707.2316 5431.0363 5227.1128 4752.6657 4506.7364 7159.7691 643.1226 8679.5624 5275.3540 4621.1332 5318.5025 6150.2115
N-(1-Naphthyl)ethylenediamine 60431.5231 42380.2766 817.4582 1200.4154 6551.8540 13901.7599 1173.4229 9139.1299 5028.2361 123.5324 6064.6473 1072.5634 2360.0006 5239.8176 8439.8251 7105.0403 6360.1665 870.4553 643.4554 8109.7681 7893.7442 5518.7516 13343.7708 6776.5086 4349.2743 8325.2422 1451.2558 1169.1859 879.3623 1598.5134 494.4446 2027.2535 3452.2240 13955.6044 6611.9862 703.9966 4248.3323 2220.6023 1726.0671 3475.0429 6744.0039 2612.9969 4566.8879 9114.7082 1374.7034 2196.0495 1478.7378 16736.6180 3480.6842 6333.2009 6809.4855
N-[1-Oxo-3-(4-oxo-1_2_3-benzotriazin-3(4H)-yl)propyl]glycine 598.5614 852.6241 600.1035 862.8876 227.3247 592.5852 128.6294 868.6443 898.6752 823.7580 1410.7160 608.2904 223.4614 930.4191 537.2776 1850.3657 586.2338 139.0684 1624.4800 453.6999 1154.4988 220.6499 517.6848 1370.8455 745.5945 968.0374 487.2065 1318.1540 414.2550 126.9455 278.2887 242.6906 3077.8779 281.5957 140.6206 976.1073 851.5110 473.4475 1999.6461 1255.1465 1443.8087 480.1772 1061.6463 3327.6563 292.5315 630.9452 755.9894 151.4495 1238.9537 878.1312 432.5652
N-[2-(4-Oxo-1-phenyl-1_3_8-triazaspiro[4.5]decan-8-yl)ethyl]naphthalene-2-carboxamide 5789.1515 42630.0763 20714.2725 3155.2666 4913.2597 5163.6204 6045.9513 28628.8839 24796.8864 39602.2298 18798.2708 18728.9089 6040.6448 64562.3001 1003.2705 3269.5077 11653.0570 13764.1935 40712.6605 7542.5912 41102.3800 25922.5536 10114.3162 27495.6909 10017.6723 19372.0864 12352.7719 49733.7064 19476.9469 81473.7076 12237.4445 5485.8623 40193.9638 5950.7648 7709.5891 32127.6804 84025.2286 18106.4869 25420.5467 32764.8110 71753.8784 45600.4204 19981.9252 21555.1572 3541.4937 8317.8930 34334.8321 5707.9017 1537.6035 129.8685 10107.1354
N-(2-aminoethyl)-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2_4-dimethyl-1H-pyrrole-3-carboxamide 994.8188 866.6571 962.0178 2578.2495 810.0914 948.7473 978.2390 873.8107 1130.1882 1045.2326 2044.4911 1014.7992 911.5140 585.7553 142.6353 1032.0202 705.8193 637.6755 2327.5866 917.2864 2819.5835 1008.1774 830.1539 1461.8234 2165.6075 327.6600 572.0956 3009.0120 1053.4058 3029.2018 999.5742 907.2491 691.9282 1036.8032 1013.3858 1196.2118 2569.6361 439.9291 1709.5437 598.7322 3567.0515 611.7148 1278.3437 1666.6618 857.1114 1072.6005 680.0937 894.7256 2194.5978 1049.9125 851.1878
N2-Benzyl-N4-cyclohexyl-6-methyl-2_4-pyrimidinediamine 212.5623 1578.1737 490.4333 190.1442 509.2803 959.6023 1890.6825 1244.5027 2162.5273 1654.5914 1508.6280 1156.0550 869.6676 1526.8602 1095.1227 756.8452 234.2865 1184.7039 1570.9071 1249.4951 1808.9998 1554.7439 1096.7543 1955.9073 1634.9502 476.0527 1442.6271 1312.7103 1313.5342 3176.5715 6500.7640 1053.1887 1453.5094 1517.6253 278.1002 1288.8883 2097.9343 3836.9467 2060.7721 1659.8361 1857.4834 2115.2847 1716.5865 1449.9730 411.5011 2802.4276 2996.9019 557.9087 1214.0093 1309.4611 2345.0196
N-(2-Chloro-5-nitrophenyl)acetamide 2588.2352 1287.2554 2169.4937 1163.5690 2275.1814 1450.6820 3004.9262 3410.1359 3159.5237 2250.3446 2502.9569 2208.4538 3698.4427 2433.7813 4476.6478 2497.2686 2929.0657 2138.2459 1562.3106 4684.5827 1555.5120 2717.2962 4363.0305 3353.7291 4931.5835 3633.3156 2524.2167 2169.0235 3841.4966 148.4923 3191.5400 4547.3380 516.1547 5207.9374 3585.0050 2152.1720 742.7122 1761.4827 1182.6974 1827.1792 1067.6469 1614.6369 2864.0705 4244.1557 3373.9900 3438.6149 2425.3917 3208.1925 1754.4936 4550.3280 3325.7431
N-(2-Methoxyphenyl)-2-pyridinecarbimidothioic acid 572.7775 887.5398 163.6768 615.9921 542.6986 547.2441 504.6906 630.1100 678.2099 1040.1591 1054.1279 674.1222 121.9252 806.1944 472.9788 666.6467 438.0071 167.9004 243.3353 403.6749 965.7124 551.5655 451.4207 1666.7282 636.5232 725.2863 356.0550 892.7481 269.8517 2997.0990 119.9708 511.5646 456.4801 545.3203 192.8715 618.2806 685.1358 1358.0173 1293.4360 231.0826 460.7468 1301.0759 333.2954 538.7520 416.1316 278.4165 126.6292 111.4694 934.2587 553.5728 554.3265
N-(2-Phenylethyl)-N^-(2-pyridinyl)thiourea 304.8730 1262.6144 376.5665 1401.4634 1241.0380 4158.8443 1434.4639 1085.6471 1173.1380 1136.5779 929.9133 1348.8266 1175.1905 805.9796 1376.9774 1406.6196 500.0022 1544.8015 378.5918 1045.3593 1237.9939 995.4011 1570.8525 1285.6875 1257.7799 2165.0402 2541.4337 1200.8582 2006.2848 1585.3764 1236.7243 1143.2314 1250.6027 378.2501 1332.0594 1186.4719 744.1282 419.7086 1303.6738 846.7640 1360.3497 2175.7807 1276.0538 1342.9939 1185.1272 1535.5217 1404.4239 1527.1623 1835.6796 786.7598 1214.7632
N3^-Acetylneomycin 3606.0650 35066.7441 15529.9180 24320.2097 7601.7665 6678.0663 1021.4148 15127.0016 190035.9248 29920.8928 39362.7345 17439.7869 7335.1921 15778.7312 21312.5837 1320.6506 34044.8598 30904.0985 52592.8889 2476.3407 41782.8564 26968.7790 12035.2030 287853.0218 8002.0092 8712.9229 20368.4503 170264.4405 27421.3474 4728.4850 46266.0378 4508.5905 13515.9732 26840.5298 38749.0153 23911.6764 55938.0574 5429.4115 48364.8790 27564.3768 269.9314 34290.4690 22939.2475 39037.1140 1807.8756 39495.8170 12170.1264 46069.2526 50564.4738 36183.9878 21024.5741
N-(3-Bromo-4-chlorophenyl)-2-(4-ethylphenoxy)acetamide 1648.8219 2947.3036 1663.9277 3041.8572 1699.2168 1486.8462 1516.9000 1996.7974 1667.7953 5729.9849 3281.9856 242.9743 1762.4349 2412.4237 1585.3586 2191.9927 1380.6986 2322.8032 5471.9946 1986.6421 5233.2759 1946.5795 1513.8525 2103.7120 1960.2365 296.2349 1917.7415 2393.9809 1941.1985 2310.7304 2134.4023 1383.3201 1880.3450 1789.1153 1502.0782 1451.1155 3368.0773 2301.8820 3001.7924 1604.0085 1069.3671 3013.6997 5261.7879 1176.6625 1511.8773 2099.1462 2037.7255 1443.9050 2773.9681 1133.3116 1332.8703
N-(3-Bromophenyl)-7H-purin-6-amine 416.3752 193.6054 467.0831 240.9738 845.9693 939.1534 931.8862 1140.9613 976.0262 1218.4532 3025.3112 845.4708 1158.5954 1566.1021 951.0518 965.3763 187.3130 928.0568 1393.7865 784.6061 1506.6365 2867.1976 899.8587 1242.1112 398.4868 965.6282 1951.3601 2923.7742 1010.1528 345.1989 971.1196 1414.5648 1403.1341 1591.5925 865.3360 1072.5731 1493.8582 913.9978 1385.1945 1210.0327 1548.5567 1892.2510 1012.7477 1091.3464 925.7460 987.9916 267.3213 863.9840 1173.1554 1043.8026 845.9403
N-(3-Bromophenyl)cyclohexanecarboxamide 13239.8310 5910.4457 1153.6206 5058.6792 15657.9635 5427.8242 2963.2781 9347.4036 4273.1694 1385.9079 3438.9360 490.8935 9717.6480 17242.8606 14617.2538 19296.1556 16095.7741 3054.0338 4016.5661 119072.3676 12338.9771 10555.7447 15484.8260 9458.9974 19843.2185 7840.2422 5315.0539 13134.3377 7993.3677 3338.8955 11751.9042 17630.6780 9277.1496 30800.8334 8319.6254 5232.2109 2471.3549 9819.6290 11012.7111 6255.5082 11493.1911 3902.9331 9267.1848 10455.9702 2617.7382 1106.4004 9011.2083 14817.8708 5758.7035 11414.7602 1509.1693
N4-(3-Bromophenyl)quinazoline-4_6-diamine 23859.8754 13447.1272 87380.2924 15567.0706 8590.0492 99773.2792 7126.1991 30546.1925 5649.0982 8309.4823 3890.1489 109026.6606 716.4928 14634.6164 16863.9842 12714.7004 1787.1403 3286.5563 5387.5984 19423.8798 10741.5171 3269.5905 61430.0369 18068.0652 7947.6594 64878.6319 3033.3354 3152.9992 95578.6777 14418.0866 1401.8991 48125.6003 6131.0264 6751.4615 7613.2758 4419.6175 9746.2181 230.7854 1433.8662 325.2331 20832.9837 10833.1532 371.0920 7917.7006 1938.5273 11279.3658 8441.2347 2700.4553 3063.1597 22808.7575 3711.0274
N-[4-(4-Bromophenyl)-1_3-thiazol-2-yl]-2-chloroacetamide 7151.4893 29185.5414 6234.7413 6967.7911 6325.7647 4008.6751 3131.4654 17365.5584 7808.9659 210.6777 26011.4067 5943.2964 7682.3181 2432.1555 5086.8451 22359.4411 6568.9392 7910.2551 227.8866 5887.2194 322.0975 5552.5410 971.0965 7138.3768 7815.6740 500.5821 5070.8655 2501.6480 6786.8766 9127.0159 5879.5385 3448.5691 7527.0010 6158.8745 7200.2943 4515.0715 6658.9760 875.9750 6398.9080 7777.3736 272.2713 7010.6687 7782.3675 7313.4331 7460.0280 9952.0948 953.6339 5411.7861 3237.7355 5349.2487 5672.4299
N-{4-[Acetyl(methyl)amino]phenyl}-2-chloroacetamide 608.7956 143.3017 708.4532 899.7938 931.7080 823.6720 907.0772 1154.3073 719.2796 824.6823 1109.8290 690.5905 155.3995 877.2143 559.5477 846.1494 722.9616 154.4683 660.6722 186.3623 880.9250 740.7999 704.4658 209.7779 1402.7078 341.5488 599.9631 803.8509 1484.9630 801.8946 169.6568 996.5825 782.0994 4009.0135 244.2450 525.4078 860.1386 949.9945 155.4171 557.8648 327.0311 871.4255 2564.7515 3211.8539 146.3759 2013.6592 177.9345 968.1172 1026.3431 373.4781 722.6185
N-(4-Methoxyphenyl)-2-nitro-1-benzothiophen-3-amine 1363.0696 1110.5757 1625.0977 692.9209 351.1646 1072.7956 2296.8207 670.2134 1112.4044 265.7916 864.6557 3313.1895 1330.2085 443.8690 204.6156 8112.7726 232.4907 1358.8714 348.9714 2120.2524 760.3821 672.1531 1535.7880 1464.1394 956.8416 653.8017 1755.7278 1042.6181 598.3258 1860.3565 1892.3167 564.9986 644.3951 2266.1545 1431.3200 828.2865 754.3443 3017.0631 850.7990 752.4967 5195.2378 1191.6103 1271.0654 353.2455 663.7489 2280.0152 1200.9643 1750.6103 878.8180 843.2513 4419.6521
N-[(4-Methylphenyl)sulfonyl]benzencarbothioamide 2890.3486 2087.7933 3776.8319 1890.2395 3147.4482 6405.5073 4682.4201 8348.0989 2404.8292 1870.5407 4601.1294 5872.6389 1246.5178 3190.1929 2299.0506 357.1428 1268.5625 1172.8688 1421.9865 2097.8809 2097.7954 1109.9848 3559.8091 2540.8805 694.0479 5251.9259 1378.8380 2429.8106 5958.8611 144.1441 177.3341 4780.9140 3105.3674 3599.6842 1411.6127 3098.6655 3417.3078 167.5048 1910.9281 952.9169 4633.8090 1676.6466 715.5929 1252.9969 970.0007 2068.3800 4080.0882 1911.0108 2343.4307 5820.4766 2259.4784
N-(4-Methylsulphonyl-3-nitrophenyl)piperazine 1230.3200 2552.3524 7858.0048 1195.7991 748.6143 4441.5025 13666.8442 891.8900 1282.9080 777.5913 876.7791 1427.5695 715.9682 69.4868 2155.2806 3003.8211 1222.5018 1688.1195 853.3710 16695.2257 932.9364 1304.9782 4312.9274 1176.2946 615.8344 667.9542 715.2752 1323.5021 323.5578 1857.0565 690.2010 2065.4132 1081.0751 354.0141 1217.3623 1553.2359 772.6020 621.3772 301.2379 447.2305 527.4491 624.6156 658.2997 1320.8352 727.9264 574.2619 1092.9318 11522.8614 1397.5992 608.1218 14151.3214
N-[5-(4-Nitrophenyl)-1_3_4-thiadiazol-2-yl]acetamide 1255.7357 331.9424 459.2935 122.0198 127.2527 419.6542 446.7337 486.5079 462.0026 310.4966 352.9803 408.1873 125.1715 136.9415 257.7983 453.5734 139.4992 310.0875 321.2024 769.1073 275.7131 451.6990 370.3723 701.7057 476.1659 671.8926 135.9807 348.8851 582.4405 361.5173 129.1652 862.8235 224.2860 410.2574 1089.7170 466.8717 337.0001 402.2909 294.8257 305.0370 178.9097 285.4449 152.4184 161.5409 160.7516 212.5101 542.4733 1094.6790 103.1502 460.0877 384.8897
N-(5-Chloro-2-phenoxyphenyl)thiophene-2-sulfonamide 8865.5839 3020.6667 18123.5099 440.3633 14083.6386 17548.0495 15041.0228 17233.0585 11848.8350 1035.0996 2406.0001 8341.7998 7658.6608 3708.4261 5153.1062 5698.0231 8483.1695 10292.8022 4039.4862 1240.7425 954.5494 6120.8489 10345.3992 1415.6042 3252.9557 5668.6901 3994.8285 8743.7783 3284.8048 2710.2748 2342.6537 10573.3862 9718.1618 6297.0497 13377.2661 9731.1424 2579.1337 2575.5239 2702.2325 4505.6454 1809.0262 831.5048 2066.3733 7746.4679 4656.2678 1605.6187 6161.1546 5712.5521 8909.6849 3783.4702 6230.1281
n5-Iminoethyl-l-ornithine 167258.0455 152070.2438 168054.0003 161173.0332 174042.2111 160375.6482 137265.5764 176483.2934 62923.7677 57223.1625 64378.9519 158563.8837 164226.4373 156744.3980 70404.8590 130855.5881 178869.1264 70776.2153 123843.2758 181847.3182 48698.8484 180416.8781 184114.8170 125592.7916 177563.0255 59314.9999 55531.3033 68213.2060 60598.0349 122735.6461 60241.4065 61509.4723 129191.0150 58239.0181 173616.8326 56431.8607 124797.1592 150192.4649 98139.1128 158277.0571 118995.1844 133096.9684 145297.7203 140170.6434 186912.1772 60535.2964 61337.3008 177856.2292 21321.0528 59305.9475 62557.5218
N-(5-Methyl-2-pyridinyl)-N^-(2-phenylethyl)thiourea 1019.7023 1211.2965 1123.7135 7022.8128 116.5405 417.1894 1269.9263 2054.2374 539.5243 1902.6207 3396.2716 710.1316 445.6099 182.3998 2002.5405 2219.4388 128.9705 1676.0758 7543.8499 216.4839 1883.7707 101.9227 445.4115 2092.4788 2742.7232 6779.0381 3023.5350 2513.4770 451.8112 4612.9419 897.0121 4129.4996 3494.8208 1300.3392 1987.4246 8136.0328 2910.7712 2685.9410 3951.1350 2835.9142 3413.1920 1439.5865 2710.3144 5134.2360 519.5353 1709.8461 495.4853 322.7084 4582.7867 3750.9430 488.8864
N6-Carbamoyl-DL-Lysine 15220.9286 13495.8630 14470.5808 14664.8714 15961.9944 14409.8766 16816.2517 14727.2129 16216.6724 13194.8696 14917.4849 14746.7374 16452.9563 14534.5610 19451.9374 15122.2826 16946.8911 14524.6955 13932.4680 17559.0479 14329.5051 16247.1889 15540.0724 15986.6426 16527.0374 15599.0469 14320.4030 14040.9447 13723.2773 12329.4628 14307.9371 15139.3204 13146.0349 15874.7551 17087.2860 15323.6610 10953.5622 13532.5236 12427.8082 13696.4500 13802.9636 12286.6272 14072.5742 15389.9164 17761.6704 16454.3989 15768.1067 17537.7851 13833.8020 15130.2056 16425.3740
N6-Methyladenine 24956.1836 19822.6548 21010.4304 13990.9168 35900.4391 3976.8186 19145.6569 190087.3054 9063.4565 8462.3411 12381.5863 23884.0766 12418.9309 21430.5297 1504.4809 1710.3319 17948.6210 2084.7556 18988.6792 11554.7233 25016.6528 17942.7544 19012.2486 20430.8510 19356.0086 6102.2346 4876.8485 30101.7527 24822.3763 3747.5263 13818.6295 21152.3219 14633.2923 16948.9027 238.1937 15357.5744 17855.6718 13637.1161 15048.4181 3843.1831 34481.5963 1397.5191 5966.2293 229.6071 8176.5231 5230.2383 12901.7197 30130.8782 39151.5077 8194.1502 8080.0171
N^-Acetyl-4-bromobenzohydrazide 9145.2873 645.7574 5299.4885 5559.8018 5255.0587 3105.0200 11533.9689 3128.1339 3058.1897 3563.5350 112.2778 4199.0238 2911.7261 409.9420 127139.3665 2253.4031 40209.3794 7494.8143 7441.5443 15855.6959 3127.0037 789.6467 4505.9993 236.5857 1393.5090 1497.8260 2380.5196 810.9904 158.7867 6242.8871 117.0758 6571.0530 1882.4945 1823.0496 10594.8180 1607.9476 2134.6323 1151.7072 132.4678 1523.0869 3441.5373 3166.3849 301.4578 3050.7118 7903.4087 1476.1658 319.0752 9465.3330 2050.8768 313.2600 3623.7692
N-Acetylaspartate 3533.1350 51455.0183 15178.4492 37994.1493 31003.5323 9171.0089 9745.4457 1667.7469 21929.5920 84873.6291 55083.7245 10178.9459 13559.2962 12139.8813 8364.2061 30253.1498 13484.7920 19168.2220 19631.5310 14101.1877 43088.7697 21354.6940 7102.6394 2862.5522 7250.3436 5486.9058 28135.2083 9023.9015 8038.8283 44903.8029 8529.5444 2191.6200 78565.8336 56405.9224 9474.6333 30585.1651 19556.9106 7757.6404 99731.0136 112162.1594 23033.1397 37334.2043 5671.1779 8262.5936 19716.5567 18113.9408 8886.8261 11313.0619 66486.6901 11024.5616 13607.9996
N-Acetyl-D-fucosamine 1904.8344 1303.5807 2176.3287 351.3481 11741.4699 4171.4038 585.2816 643.9901 4402.8996 14798.4926 2217.4759 3355.5387 3966.4332 6875.0484 539.9231 14111.1274 311.2203 382.7532 901.9729 4353.7222 1592.2239 3551.6522 1660.4883 1566.6618 1804.9054 1167.5377 791.9498 2505.0073 10558.5685 22639.2346 2259.3050 4496.8838 1268.1622 6996.0998 631.3408 1177.1973 3550.7463 657.2398 941.1219 624.3907 11067.1264 897.3445 1201.8631 661.3471 5886.1570 5547.0558 4145.2915 8771.0410 634.5572 771.9521 564.0500
N-Acetyl-D-Glucosamine 39214.2284 59223.7889 13480.7176 1847.6076 143032.9794 48041.5049 17843.2522 862.5806 36594.6472 113183.5488 4340.9862 402631.2065 30546.3752 429876.0145 52862.5861 1947548.8940 2536.6978 2114.4997 6115.1903 16833.6797 149465.9047 110849.6162 13757.7098 40722.4943 126513.7307 10489.5184 2735.8459 2189.9033 200532.7199 8330.2023 27256.0982 44398.5401 1624.2201 211693.7640 33630.4784 5230.7782 264741.3068 17125.6375 17797.0722 1655.7309 3569.7535 884.0073 3795.1930 1384.5101 29771.3112 122237.3536 107320.1846 87012.8442 3158.3912 97268.6987 2342.7953
N-Acetyl-DL-glutamic acid 576.9027 1936.8690 128.1397 1922.8911 456.8747 134.4245 389.4853 1345.6455 1256.6245 2163.0327 2548.9750 170.7389 787.0327 1419.6317 467.4473 3608.1798 354.2116 574.8731 2241.3761 197.4901 2038.7774 397.6703 535.8814 2358.9808 787.2828 1069.1433 1641.0613 714.8069 663.3343 839.6363 240.0934 247.4833 3612.8982 1146.3576 741.3271 2474.3102 1778.0768 1873.9971 4110.0756 3535.3301 3097.3995 1829.5087 3178.4148 2029.7663 841.9097 270.9610 155.4791 133.7120 1648.4666 1218.6382 112.8236
N-Acetylprocainamide 6791.3060 8467.8822 671.3500 993.3912 6850.5156 5593.6118 5376.8745 112.3591 9427.3143 14065.9854 3763.0966 5433.1088 8529.3870 14330.0870 1368.7911 6375.9366 5747.5852 4099.8931 22974.5864 4558.9127 14712.9316 8863.3767 4121.9050 4242.0199 8898.5170 5387.8781 3407.1328 16288.0751 10738.9042 2815.1535 257.9322 7666.1554 8548.0760 279.4790 2980.4771 12854.3102 60221.6577 7378.7475 25060.3124 10007.6192 27906.7772 2791.6939 13500.9961 5841.2326 487.3003 7691.8090 8878.8107 6669.5984 48252.3453 70383.7297 2449.2910
N-acetyl-S-geranylgeranyl-L-Cysteine 1496.4978 7559.5935 30073.7464 2807.9262 542.6874 1139.0404 543.7292 4674.1404 4986.3993 7838.2805 12156.5772 1014.6397 1371.8158 15316.2348 76.5408 10645.9616 9077.9367 17444.7302 39225.6080 161.3817 3868.3759 58146.4126 1920.4218 8957.5100 1612.3290 5449.9487 5123.1624 5122.1417 345.6320 4282.2565 3960.2530 1071.7851 23845.7090 9518.0960 776.0257 1341.0766 59158.8313 3768.0238 5426.5225 5051.3397 1291.5930 5509.0711 2789.6820 997.9657 857.2133 2640.8424 4591.9015 2824.2808 78145.2546 2865.6305 6652.4876
N-Allyl-N^-(3-chlorophenyl)thiourea 910.8119 2092.4031 1862.3413 249.1264 2815.0420 1913.2895 2121.7577 9904.7109 2245.0455 2243.0456 2581.2903 2162.4932 2635.1747 1972.3572 2971.3661 2493.6487 2797.3983 3300.3329 268.2973 344.6409 654.0769 2226.5969 2627.2860 4412.0485 2707.4416 1745.6776 2250.7016 2481.7930 2678.9108 2290.6989 827.9005 3021.0135 4196.2407 6204.6405 2606.4865 998.1295 2892.6901 251.4191 571.0833 2260.2800 7278.9600 411.4850 6558.3267 10224.5398 2389.0864 2623.5107 440.7040 2178.2254 715.3325 2537.1168 2169.8279
Neamine 12440.3479 1536.4254 9861.6982 7955.7964 13067.8247 13326.5571 11429.4675 113.0836 17127.4707 30165.5474 911.9907 7108.6140 12881.1224 22073.8554 9426.6356 15341.8703 13226.6741 13554.9999 43190.5261 11539.2729 93700.6043 22815.9133 12581.8683 2979.3641 2301.9937 254.8564 42604.9626 28906.2452 12330.3048 18377.3430 15335.1740 10262.3908 17209.2501 3275.0840 2905.7669 10705.8983 53287.2497 18045.8983 53759.6664 53979.4830 38078.7964 31465.5213 82777.3193 30442.1497 13379.3396 17811.7829 23188.1983 11375.4716 32612.8535 17804.5198 1028.6119
Neferin 2689.3408 173.4955 1012.3217 2062.4028 1860.4560 1589.6181 1468.3194 145.2885 2254.9294 3167.8135 2164.7624 1035.4963 1966.6697 3706.1406 1130.3135 2524.8808 1592.5224 1543.1397 2893.7878 2017.8658 3011.0918 2137.5511 2587.4989 11982.1992 8693.9370 2472.0340 165.2088 3985.2098 3307.4405 1476.6915 2953.3401 2261.9143 6722.2183 1206.2254 2180.5363 2798.0379 2659.2845 2527.1783 3633.7465 1750.7777 8496.4356 3266.0266 1210.0390 3320.0485 172.9174 2947.4092 3053.1624 2548.6658 2557.3562 2423.8143 1479.8651
Nefiracetam 6964.5665 1238.4410 38.9008 417.0767 1366.4767 199.6359 4529.1016 609.3872 781.0865 1724.6680 2692.9409 1244.4001 5987.4971 163894.9300 7390.8611 755.6181 304.3623 2442.3395 1495.4684 2333.7427 23945.1083 152.0396 121.6273 812.3160 752.8229 366.7557 4610.6007 182.6944 1615.8962 5562.7430 1916.5615 572.9241 801.9874 4490.3336 137.7699 3164.8231 786.0732 1234.1019 1603.5265 2223.2285 2986.7524 587.2157 12366.6526 1174.7497 7554.5103 1607.4361 7236.2942 604.4573 3270.8336 2851.6794 942.2064
Nefopam 4984.5627 27967.4331 1955.6789 3374.8169 21119.4374 5862.3523 3802.0309 1650.6745 4955.6556 37613.0149 11775.4936 6137.9069 9666.7342 33261.3657 7282.1644 136844.1953 1049.7527 4196.4868 6822.9570 8178.2539 4757.2131 10920.7962 1938.0553 20669.7194 30030.1134 11811.0359 2675.4574 15816.5402 13375.5086 78506.4374 4379.9790 5490.2773 36988.0531 17114.5768 4789.7135 4130.8688 8937.9877 21042.0417 14316.8457 2199.9865 11075.8186 21727.9914 4821.0430 10391.8183 5303.7662 8382.8806 13220.9689 6084.3698 2520.4426 3297.5661 10503.5161
Neurosporaxanthin 3003.7687 16281.3762 13455.5130 4802.1910 3551.9732 7904.8906 7054.9553 8462.1669 14850.7595 7376.7955 4948.8995 1521.0244 6717.5848 7360.0831 967.7058 5429.3837 3013.9652 8067.5769 12854.4327 3592.1705 6981.4852 12587.7879 2382.6848 6008.9835 6274.4282 7463.2940 7268.8929 6973.4836 9103.5883 25001.5239 5523.6443 2241.5912 3282.6628 4035.6710 5684.3831 5026.0924 10769.5608 8514.5711 13317.7860 6932.1127 5798.0372 9994.4424 2979.4845 4828.5897 1432.5247 7077.3194 12940.7695 3562.5010 109.5143 2088.9452 3614.7060
Nevirapine 1099.7481 13354.6060 3920.9267 6408.4005 5757.8770 1507.7435 4321.9321 81791.7277 8037.9635 1710.7703 76984.1621 5878.2274 4409.2174 10183.4088 114.8498 13713.1119 2845.4832 795.3335 4377.6039 3749.8021 12097.5188 1053.3075 5968.2468 832.0613 475.2038 2444.8523 1599.4033 10453.6172 12117.1033 826.1350 6261.6262 7349.1784 14396.1235 2924.2379 270.5088 2084.8477 14778.4292 6580.4721 13960.7489 776.5190 16444.8387 1388.3253 1554.6697 566.1829 1617.9666 1801.1991 8590.4362 7293.2578 13459.2542 2380.0398 1711.6738
N-Heptanoylhomoserine lactone 2326.4768 1743.7344 261.8178 1263.7680 1841.9172 1950.4274 2007.2898 3268.8001 1825.3489 1163.4507 1371.7596 646.9403 2669.9657 1672.8740 4935.0369 2508.3171 1548.2595 257.4002 1367.9780 3859.0341 1548.6236 2573.1987 4295.0914 2010.2149 5053.9018 2811.7233 1146.5384 1479.4079 3390.3634 4256.2319 1784.7525 5539.7417 1953.3656 4769.5823 2585.3860 498.3687 1465.4760 1602.9099 1298.0987 238.0831 230.0728 263.2655 1796.0363 2323.9507 3148.2558 2541.7786 1503.0143 1895.9926 1464.0768 2718.0856 3442.1764
N-hydroxy-9-methylsulfanylnonanethioamide 652.1264 1259.5610 956.5407 223.6644 736.4711 840.1862 724.6829 617.9707 167.4213 218.9363 1478.0032 1480.2808 662.8441 213.2631 583.9891 485.9057 609.3923 188.3891 655.8365 723.3254 1199.9964 821.7644 811.2862 916.6542 484.3532 756.9817 651.9089 6000.8376 227.4461 1914.8785 218.6853 166.8239 1112.7928 697.5401 560.2984 296.3087 969.7975 1271.9532 1055.0862 940.2985 692.1211 977.6475 1484.9971 214.6246 748.2270 656.8719 905.0857 208.1568 536.9453 604.3754 688.6302
Nicotinate 1022.7035 1637.5596 891.9645 555.7565 1040.2392 616.7808 245.3866 1277.6705 320.4344 1410.2502 648.3569 4532.5246 155.2697 53.7100 51.7921 68.9290 77.6715 2967.3079 925.0658 5556.1989 1407.4472 908.9048 172.4834 1064.4679 397.2083 438.9788 1210.7903 4380.5635 902.5630 4681.2811 1654.5466 1304.4104 2461.9945 1600.7216 851.7176 940.4768 11425.4539 3983.3327 5383.3207 438.1687 640.7783 10634.8770 729.4814 83.2652 1161.7492 11986.0033 1951.3597 420.6056 511.8639 1731.3436 66.0399
Nitazoxanide 45392.9872 46295.9137 49691.8825 51674.7777 49148.9668 51217.3732 49588.1015 47884.6321 50573.1649 47781.0649 50854.1341 44253.5611 47406.4808 45107.3259 50007.0145 50034.4853 44635.2170 46435.9515 44307.1973 49593.2262 43247.7887 47654.3257 47466.1192 51506.6068 52319.9044 49043.0387 48892.3000 52108.2876 49822.0776 50940.4562 52844.2821 53323.0515 50860.7085 51123.0956 48864.0909 48837.9579 48098.3822 49262.1447 50316.7198 49564.0475 48739.0206 49903.4095 46729.1165 52271.4995 48154.4725 53468.1058 48925.5212 53448.7021 51876.1753 52425.1099 51895.6985
Nitroarginine 936.8379 791.5918 1179.9163 474.7966 941.9378 855.6369 1872.6119 822.1458 1208.9338 261.7029 759.1717 1462.6678 815.2329 1975.5934 201.3430 1160.8470 914.3928 734.1091 200.4063 1234.4477 187.7300 858.7720 7158.5507 1054.9619 188.6132 822.1553 912.7743 1126.4763 1082.4203 2733.2499 212.9092 512.8001 362.4236 861.9858 708.5409 961.9264 226.3751 201.3547 2104.6076 753.2848 1028.6856 950.4481 923.0300 526.1654 1300.7220 1102.3307 1052.5704 1273.8798 770.0669 1004.1800 194.9380
Nitrogen chloride (NCl3) 22252.1028 21277.6330 19568.8950 20003.4655 19181.7210 19598.4168 19620.7389 20204.3629 20541.3275 19921.1329 21748.0613 21132.2972 20294.2125 19796.1111 20293.3923 19697.6366 22053.4869 21071.9534 21649.0368 19298.9450 20231.0005 19409.9435 20242.4406 13066.3414 17924.1074 20534.2770 14619.3660 19424.4702 19260.7576 20141.2443 18528.5614 17339.8318 16558.6236 16197.5075 19834.0231 17117.5073 17469.4024 18668.3274 16679.4150 17725.4618 17324.5507 18040.8890 20688.0582 20115.2354 19448.2476 19815.9061 19751.3790 18806.0521 21975.5624 20005.2464 19262.8809
N_N-Dimethyl-4-(6-methylbenzo[d]thiazol-2-yl)aniline 1159.7038 131.7755 389.5469 653.2463 2326.6052 991.5210 175.4263 234.5415 9532.0143 2542.2910 1619.7008 1343.6010 1722.4234 10103.9532 142.1280 669.6515 534.3813 1809.1701 17723.8661 209.4813 2197.0149 2571.5878 1357.7407 501.6921 131.6715 139.0768 1666.8924 4508.8428 2499.6643 3543.8576 659.3989 1462.6554 1020.3566 2105.4151 1156.4974 5704.1302 917.0871 199.7122 1067.2138 1855.1559 1092.7585 2843.1851 3352.4795 1997.7748 2300.6906 1842.6390 2056.5233 1611.3713 693.0390 1568.3143 1543.7416
N_N-Dimethylarginine 794.5597 4093.4060 11247.4643 3652.8622 6761.6779 13697.5734 22289.4549 1276.9157 6266.1730 4184.2747 712.4877 11791.4715 5618.2599 5053.6468 12080.3862 8637.9249 5855.3873 4152.8389 600.6879 5977.6609 3973.9479 5525.5886 39394.8183 5262.2923 7586.7201 659.8569 784.5128 692.1738 6389.9953 11778.5408 5774.2359 7119.7468 5147.8900 6714.9665 5545.0795 1479.1535 2415.9666 4438.1899 2639.7560 3539.6843 5015.6165 4240.4548 7635.0917 3428.9748 11928.8394 8891.5253 7452.7732 24324.8395 863.6533 3373.9259 9683.7907
N-Nitrosomethylvinylamine 8577.0489 6943.0059 10931.6527 4840.1476 9370.8646 10305.4714 6808.9145 11849.6549 10469.2418 9190.5377 6140.3318 25259.7165 6898.6255 7254.1085 15055.4996 5782.2864 15707.7829 9693.0229 9743.3622 21806.5896 4585.3756 8124.4348 6445.3498 9483.1943 7554.5420 7665.2399 17038.3213 6580.1556 7756.6076 3800.6155 6165.9095 6831.4854 4125.7316 12274.8258 12266.6563 8399.0187 4789.3038 8510.8287 4302.3918 5736.8226 6605.4291 4221.9596 7575.9461 62748.3104 12545.8086 6864.6710 8637.8520 13001.2685 6084.5737 9459.6815 15524.8114
Norambreinolide 90880.4985 10825.5303 601.5521 13650.5594 3656.0355 7500.4789 105130.2702 17350.5236 806.8850 764.5481 11039.0185 7284.2080 95111.4768 5733.8772 8018.3871 56322.4369 4171.7175 17158.8235 5312.3433 40831.4271 15781.4743 782.2710 42969.1385 9206.5504 36998.4721 38222.1590 6337.4682 17919.5730 3104.4141 20799.7641 20065.6328 3597.6408 16066.4148 78281.2650 47895.9255 940.3299 12248.1108 1106.2546 12646.9776 142.0681 1056.6199 1060.4013 21066.6318 981.5472 47351.0007 130423.4799 5948.3779 49254.8054 1359.8613 3520.9569 30471.7214
Nordihydroguaiaretic acid 1579.2365 5123.7029 4189.7388 1912.9047 4357.7021 5522.4119 3179.9074 5930.6858 15913.5474 5508.7094 2718.9235 1551.2205 4963.6318 14294.7348 461.8991 2387.9202 3337.3436 541.8813 3760.2652 1773.2736 3260.5282 4298.1002 3843.7047 13698.5745 2710.2106 5547.4984 2070.0839 10040.0900 8721.7794 16079.6998 15127.6840 6470.5231 8572.3378 1799.1877 6958.3370 4864.2439 4662.2743 5900.7525 3014.4414 1827.0141 7977.7812 3813.3727 2660.2177 749.2930 3752.3092 10527.3186 7100.3725 7621.1720 5639.8198 4658.8377 6588.6409
Nor-ketotifen 2649.1893 2517.8188 4754.3331 3074.2565 2008.6241 2622.1869 2410.8661 4096.7942 536.4694 1056.5666 3128.1319 2606.2242 2187.4810 4171.5181 2409.1121 2351.6819 3807.2379 3813.1595 4821.2338 1830.5129 2041.8527 3467.0637 2684.5569 6212.6848 1405.3097 6562.7589 819.3687 5118.3548 1873.1871 2244.7098 1171.9166 2356.4382 2828.8620 2601.6675 7315.7332 619.9640 996.2708 2164.0180 187.4923 199.7867 2413.0871 2806.1096 2260.9840 5812.0714 1361.9767 2234.3108 2287.3899 1646.2275 2553.9658 2372.9330 2382.4302
N-(p-Hydroxyphenethyl)actinidine 628.4841 1832.5915 869.2941 493.8004 1624.5806 1409.1312 1407.2401 2218.7493 4860.8932 953.9185 74.0887 331.7740 1307.8644 3031.3860 78.3977 1316.0951 588.4525 1277.6083 1061.3677 1162.1810 1332.3475 2017.9160 587.0661 4194.5124 442.1932 1591.5561 480.8936 2666.5640 2608.4265 3706.4866 6881.6571 2039.7973 2694.2600 206.3294 1433.6184 1152.8688 1382.4038 3592.8983 828.9494 497.5156 1699.9326 1633.1491 1442.2895 1172.4995 1755.6741 5186.4853 4403.5569 2329.4967 2353.7173 939.1779 1583.3453
N-Stearoyltaurine 17896.3643 12238.6918 3877.6860 2074.8361 6381.9066 294.6667 129.6621 10464.3898 6139.5804 9628.5542 45600.4935 6021.5034 10503.0290 20950.2024 5372.4510 7544.5506 2285.0396 5312.8132 42630.3143 3293.9762 12568.4839 12158.8273 4822.3862 16057.3522 34832.0127 2750.5766 4950.4498 47937.9717 4465.3531 3154.7226 8524.1458 2271.1027 30114.9575 2798.0604 1413.1235 3468.3416 21325.6475 12234.7231 30702.3060 22296.1293 19559.1751 29035.9759 1295.5169 9545.1397 4305.4134 2455.3758 45125.6796 4113.7494 1802.4562 109.4658 1494.2797
(N-Sulfoindol-3-yl)methylglucosinolate 383.2805 111.4950 472.9253 358.2606 1010.9579 205.8193 228.2054 401.1440 428.4653 341.1607 353.9657 118.4664 342.2237 360.7791 391.7632 534.7579 217.2921 204.1848 321.4234 412.9270 305.1206 395.7324 214.2400 351.7266 453.0564 384.9229 398.3809 315.9732 436.7493 341.5443 416.0629 784.5666 99.2940 406.5564 509.6852 368.6022 272.5384 454.7903 331.2724 350.8697 347.8783 321.6993 372.6103 424.9810 573.0619 461.3620 412.8110 415.0400 198.8317 342.5963 270.0459
O-Acetyl-L-homoserine 34926.3936 11862.1753 3660.1166 12213.0936 13086.5991 7951.8772 8656.7373 21267.2285 22874.1671 10777.4202 11174.1788 10658.0189 17698.2336 8557.7417 12661.7971 27782.3894 7121.3060 10727.5160 11456.2877 26531.7554 16612.3227 17342.8975 7881.9967 36893.0790 30048.9902 40256.5071 12844.2877 12262.7349 64842.6182 7097.2373 17146.5678 52707.0639 16408.8919 8129.2452 17364.9406 19875.1853 5766.5529 21542.2704 11435.8138 15442.9114 23170.0649 8155.3613 17607.3756 21410.5423 11301.9017 29607.1198 30223.6181 21438.1096 8927.6061 22147.6805 4856.8304
o-Chloroacetanilide 540.5773 725.9319 1135.3640 651.2210 358.1243 487.2378 319.3581 856.4068 792.9925 215.8782 1198.6037 688.3832 587.4306 367.8595 378.9265 920.1367 174.7978 654.6045 392.8630 317.2547 537.5995 712.1520 719.9482 315.2779 663.0211 669.9651 747.1294 457.6195 535.3674 999.4513 822.8534 603.6682 564.2832 498.9839 401.2162 447.1717 683.7126 521.9722 923.5416 801.7677 556.1893 810.8466 505.0041 699.6756 554.2595 861.4542 576.7369 169.8683 1111.0353 656.9816 959.1211
Octyl alpha-ketoglutarate 7438.4949 1261.7632 2407.5111 1118.1565 1535.0568 2342.8342 2072.7036 2355.8892 1069.5016 1326.2175 121.5833 350.3936 586.6889 520.2553 801.3572 4218.5249 1440.0248 1244.4595 124.1255 2082.4025 312.7668 1870.5084 2165.3283 832.6514 1132.7834 673.9668 431.5226 714.6785 9955.3113 1133.8849 2788.1545 5348.5897 971.9711 1981.7201 1762.5525 942.9364 960.6692 1665.3495 419.1515 127.0428 123.1807 344.1124 130.8803 1306.3973 277.1527 4328.5106 2442.4039 1517.2545 1079.9513 1763.6686 1542.5089
Orotidylic acid 3613.4734 3083.4145 4263.2361 3559.2340 3518.7793 4333.2974 4637.4401 3719.4305 3311.0099 3274.3340 4117.0400 3365.0683 3757.0623 3321.2295 3898.1182 3512.5214 3475.1890 3473.7093 3117.7820 3513.6192 3573.0454 4063.0664 4833.8317 3598.0589 4501.8980 3570.2370 3551.7736 3709.2001 3388.1272 3707.6056 4824.7260 4059.8362 4499.8791 4398.6436 3815.1975 3210.9929 3610.4860 3281.0493 4253.9122 3232.2202 3573.9728 3569.1738 3281.1490 3798.1566 3387.2458 3964.3736 3500.6572 4230.6739 3929.5330 3851.7581 4350.9082
Orphenadrine Citrate 1223.8343 836.1492 998.9526 787.9731 815.3061 1115.7586 1381.5767 736.6088 931.0902 1856.4208 672.8073 3002.5544 995.0062 276.2847 1141.2743 2229.1591 822.1237 292.3742 692.8793 183.5746 195.7862 810.8509 130.1088 150.4855 1027.6241 767.0125 130.9300 339.2942 746.3255 613.4878 1171.9839 634.1487 758.9764 137.6825 724.3975 156.5429 814.1067 275.5420 482.5942 603.9358 708.8321 306.8879 782.7060 935.5198 1101.5314 4621.9869 985.7166 1047.1064 618.4526 383.6851 1117.3271
Ortophosphate 421653.4435 666126.1432 425417.1440 489579.8192 849145.1475 532152.8111 521645.2350 557042.0169 464893.8732 484999.5422 582500.3098 549936.8589 493593.6969 492839.0901 495195.7110 260124.7919 504936.6353 707522.2827 545487.6501 547691.9061 225301.4651 507935.0903 641715.7656 432717.2604 577959.4797 577694.8791 460285.5616 577989.7405 487845.2883 405125.0276 258092.9662 404340.6438 254614.8491 613229.5504 545045.7591 459154.3257 428791.5869 494290.0302 497815.7926 529732.5451 579916.2038 461679.1071 397749.7978 515746.2505 405120.4261 723177.4123 263121.1497 608579.8207 551593.2698 551804.3245 484347.5824
Ovalicin 17007.9990 221.6534 14764.1554 1585.8707 13595.9672 17894.7688 18064.6024 15569.4882 10422.1558 19389.6069 34294.2318 34647.6383 14949.3503 36816.9471 20351.7978 25727.9839 1946.6043 14984.4368 1472.5833 18451.3348 56904.0805 9979.5092 17683.5101 22251.9843 20546.4154 17890.9843 13436.2795 30345.5667 23095.1050 1573.8142 22113.2632 17729.0275 283.4341 52739.7011 18365.6284 14909.8262 35929.6844 692.3535 25333.9823 262.4487 6687.8790 146282.3099 73366.1273 1465.2309 263.7050 25354.5424 988.5623 14279.4411 1378.4431 16928.4933 14931.8488
Oxibendazole 3361.1463 1767.7010 533.2412 3906.6551 6066.2179 3126.2761 2114.4357 3379.1619 2100.5726 1179.4482 4478.3219 27474.9287 221.2998 2911.8118 6567.9791 14248.0941 4268.8485 4658.3570 4280.0754 2165.5146 2118.7677 2104.4077 863.5701 3770.7076 2679.1136 196.3078 3155.2803 4784.8438 1889.6289 5708.9738 4382.5346 5326.5955 6295.9171 1792.9371 4986.1503 4269.3014 9970.4987 4098.6265 6854.8703 4757.6537 6207.8491 5276.0102 5061.1818 4290.7592 3334.8705 5574.6860 1064.2683 9087.9797 4029.8473 1662.0246 5073.3207
Oxyfluorfen 4110.5882 2937.7094 4747.0368 2613.4297 350.2540 9814.7285 2426.8208 11659.0406 963.5792 2681.1740 3547.8506 6204.0774 2476.3463 3269.9745 290.2920 2980.9087 2931.7269 2557.5595 296.7499 3206.5314 2583.8062 1383.1164 3572.0581 2982.2215 3075.5340 4963.9693 1807.2321 592.6098 8527.7518 2572.9018 3107.6337 8547.4446 943.6529 3149.7541 2593.1793 320.1830 2373.1351 3192.9644 2785.3792 2293.0038 5096.1792 2721.5183 2463.1860 289.6030 2616.5822 3489.5630 2064.8232 3547.0848 2274.6051 2870.2257 2754.0680
Oxymetazoline hydrochloride 1013.0898 1495.5158 1320.4320 1515.5629 879.1351 1306.1235 1418.4889 1278.9578 1127.4644 1759.8992 233.9282 1341.6990 807.7503 1934.0687 942.8367 249.9532 996.8884 1337.5133 1294.4920 1073.7729 9048.9412 1352.4644 1147.7836 2267.4683 272.3412 446.8431 256.7184 1692.8918 1284.5407 1029.0121 1211.8693 1037.6261 1656.1656 1569.3413 259.3253 225.7234 3553.9864 1324.4438 1848.3438 1067.6972 512.3816 1199.8700 299.4696 2388.4401 1229.8294 265.3843 1387.1686 1164.5523 1629.3940 1383.3882 941.0301
Oxypyrithiamine 1782.8635 1838.0560 2058.9522 1381.8258 252.9939 1945.1019 898.8428 198.7584 1144.0504 2391.8477 12305.6934 1682.3192 1265.4385 2407.1096 651.5422 1253.6635 1338.6246 1533.1061 2436.5886 249.3492 2121.6030 190.4740 6253.5658 1669.0473 278.6778 2849.4598 1625.6529 2181.5126 279.5939 228.7043 1462.6444 511.1602 436.0910 1206.6863 1372.1334 552.6991 2939.7509 2223.3305 829.9212 291.9986 4964.7149 2175.6102 2571.9094 1139.1568 1540.6251 5868.8498 449.3682 719.5301 907.3078 808.2338 1443.5689
Palmitic acid 6479.2173 10958.0915 5969.3545 9609.1953 6299.7275 5433.8658 7845.5672 7266.8567 7950.2047 10073.7092 8099.1998 6007.2427 10035.7648 8645.8374 7448.5442 9163.4609 8212.3230 8332.5511 6385.5471 9043.9297 7860.1669 9882.3033 4117.7130 7543.5367 7182.3628 6950.6976 7837.7684 8329.5456 6983.8925 16838.8810 9496.6325 5510.7930 9590.4110 9122.1269 7615.4048 7602.6675 6478.1317 8230.4145 7962.0925 8850.4631 7547.5878 9305.4592 10782.1087 8413.4460 9434.2393 9658.5485 7136.8301 6832.7531 8464.8708 8209.5149 6977.3380
Palmitic acid alkyne 296.4549 491.9553 1399.3804 1594.9134 336.9934 1629.0691 1387.8360 1858.2663 1283.1429 339.1090 4869.9085 988.8616 5193.5722 1819.8646 1176.8350 213.1519 1622.7522 1450.5685 2158.2476 227.4707 1812.3988 1681.1455 216.5540 1934.7725 1377.4462 9046.7932 1802.5534 1039.5245 262.6399 1360.9301 744.0826 1869.8795 320.9085 1241.7482 1616.0413 299.6285 2186.2456 1238.2975 1737.3760 1601.2766 2199.0953 1711.3120 1714.8153 1633.3102 1265.8379 1860.0534 1589.4124 1401.7626 1845.0077 2136.7972 548.0623
Palmitoleic acid 1814.9499 1165.4720 1345.1672 634.5127 330.4831 444.2664 812.0327 2360.7909 1570.4485 1842.5624 1296.4278 1141.2000 5188.3398 6393.6110 645.3570 1706.9205 91.7373 1431.2142 1817.9745 836.2003 79.9406 1241.1168 1674.6959 1694.9747 937.6453 3014.7787 3282.2144 5879.4551 12187.5406 79.7541 1664.2040 1120.8361 297.9107 2622.4522 3479.2422 686.1499 395.1637 1083.8124 367.9415 3197.0738 846.6823 560.0767 1146.2362 2300.3375 476.5054 2976.9491 3663.5885 1690.1520 1849.1272 2817.1615 776.4292
Pantothenic acid 8609.7357 1525.1146 158.2702 808.7532 1037.5293 1705.4557 1944.8717 1484.8853 758.9765 133.8670 470.2550 1944.7467 1472.2806 2421.7438 2124.8721 2815.6125 128.9256 965.3060 2272.2901 402.5976 1811.0017 703.3270 1804.1274 2402.8428 680.3258 883.8376 459.7563 1420.4900 131.7604 1102.3678 14520.8494 962.6786 1272.6640 1818.1691 1438.9270 1395.2301 1592.5611 1321.7782 234.1335 756.8020 3341.4993 1577.9377 1122.1846 1494.5917 1524.4976 1726.6589 1564.9692 122.5261 2828.2391 711.1106 1543.3352
Paramethadione 13958.4139 15033.5129 5500.5912 17852.1620 9243.5379 5379.0714 3071.2352 18431.9185 14713.2336 14416.2980 11841.5161 4067.5916 16211.1704 13077.4205 5517.7999 9550.1947 9271.5115 8323.1618 10554.9023 9398.3850 10547.7515 10370.7367 47211.2836 46755.8439 21647.8776 24315.0547 12663.0992 14159.7722 16467.6284 9221.1292 10530.5239 11531.0024 16983.9774 7542.0385 13277.3506 24748.8454 8549.2224 15849.7103 17206.0559 12703.2280 23479.7366 17004.8693 13825.9969 20865.5917 8264.1508 12345.6469 18171.7305 10269.3092 12999.1058 18586.7696 8111.9244
Paspaline B 108.7012 1162.8369 1568.0970 857.8202 1111.6568 400.6109 1885.4572 1887.8826 694.5811 1797.6530 2502.4782 959.2997 1306.8636 1784.2246 851.1163 1144.6435 878.1957 1406.9410 2336.0529 193.1257 2187.6779 1776.9409 1819.8700 1364.1779 1605.8739 214.9762 1322.8666 916.8187 592.0306 1481.2660 784.0629 863.6462 3465.8977 113.2175 939.2153 1163.2938 2540.3367 1450.0152 2186.0146 1929.5005 1424.3597 2528.0951 195.7241 1701.0751 911.9925 832.3392 670.5193 642.3157 1084.4795 975.2969 1081.8616
P-chlorophenylalanine 9950.6242 8082.3319 8971.8485 9231.9794 9733.8698 8876.8233 11035.2036 10493.8399 10810.8881 8182.4687 9407.3039 8375.8427 11422.2670 8159.9863 11241.2139 9319.2004 10492.1920 9451.6870 9205.2602 11039.7284 8725.4768 9583.9443 11016.4639 10388.6751 11356.0540 10150.7484 9690.2274 8504.3762 9723.6396 6976.7395 9461.3298 10312.4430 8706.3564 9505.9777 10460.9862 10422.9010 6833.7303 8414.9090 8333.4417 9276.4379 8439.0215 7917.8095 9311.2055 10552.2355 11464.0953 11172.8103 10332.7907 11183.0177 9189.2282 10301.7927 10539.4510
PC(o-22:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z)) 2626.1351 2765.9580 2292.9916 2632.7708 2734.1649 3133.0213 3137.7440 2811.4558 2414.5119 2632.4458 2623.4092 2749.1929 1981.3319 1648.1496 3395.3389 2906.4479 2618.7603 2645.8862 2053.3826 2911.7801 2163.6954 2111.5374 3146.9497 2254.5909 3012.7432 1840.5995 2522.0465 1809.2450 2390.2070 2317.0377 2491.8014 2841.6834 2377.7728 2749.4671 2803.6284 2328.5291 1491.1196 2135.1094 2381.2511 2656.8571 2230.9251 2590.6226 1413.5079 2824.3501 2978.9561 2704.7250 2351.4156 2835.1271 1905.1114 2665.8528 2735.3615
PE(20:5(5Z_8Z_11Z_14Z_17Z)/22:5(7Z_10Z_13Z_16Z_19Z)) 572.6136 2316.9851 154.0813 280.7482 221.9744 680.1812 786.1001 1175.5877 726.3932 1310.6373 1657.4156 797.3778 2114.7245 141.5904 782.8526 879.6793 298.8716 1049.2651 1779.1914 552.1517 1166.4127 1468.5060 695.8220 1283.1167 656.8983 878.2400 1823.5610 1040.7369 125.6511 1237.5524 685.9127 593.5228 1273.4653 849.0823 777.1816 992.2718 988.3268 540.0287 884.4668 1090.6314 991.2423 1441.3063 949.2831 809.5488 833.8644 847.2675 691.1318 887.5539 508.2941 860.5108 1106.1095
Pentadecafluorooctanoic Acid 266.5742 5051.9753 980.6514 6435.7810 2428.6937 1286.8731 273.6164 1312.0452 5382.6912 3152.5708 793.2770 707.1143 10837.1326 2716.6601 2392.8483 5420.2983 1603.0451 6914.5792 2355.7608 1526.8651 3534.7009 1913.1117 1818.9923 9285.3544 5639.6299 491.8634 7878.3846 1200.8630 124.9545 899.0361 3043.4987 1949.8449 1834.0982 3580.3379 3573.2864 4134.2170 265.3772 5714.2020 3408.2767 7623.3638 334.0844 2888.2919 3770.3819 7357.0176 5255.1177 9457.8656 2302.6138 612.1368 6960.3745 1566.5577 801.9968
Pentadecanoic acid 1980.3663 4862.0872 2848.5912 2682.1794 2951.9903 577.8259 195.1872 3893.9486 1883.6846 1634.7942 6342.0418 780.9881 2595.2410 3182.0706 415.9298 2783.0650 4386.6531 4621.8361 6429.9769 1562.5169 1906.9146 1073.3943 1861.6884 5658.4450 2684.8161 3126.8296 4551.2818 6172.9573 924.1067 4791.2474 4386.1855 1625.6725 9744.1407 5909.5589 4015.2868 2485.7446 8167.5865 3721.5964 3198.2449 2940.2375 4133.9422 2387.8694 2589.2393 4027.4102 1325.8898 3378.2492 1966.7037 1362.1224 7064.0953 4560.5135 1409.6203
PG(18:1(9Z)/0:0) 9038.6197 23164.1216 22886.8689 20425.4424 3504.7880 13948.4686 15953.6490 15783.8076 64811.2416 29446.4171 24745.0720 2849.7622 14198.2214 163016.0743 16637.5508 32825.8998 12868.0449 12943.6621 206.8408 14013.2435 21458.5821 43614.9110 2924.3691 22223.7836 2356.0827 71165.6853 459.6998 74413.1606 91934.2394 23010.2320 20370.6269 2571.6185 725.6058 320.9766 8507.0018 1042.3028 33734.8748 6654.5280 14179.7511 12211.1037 957.3021 3361.3911 22705.6250 18872.4889 20984.7242 12088.9189 78951.9741 44484.1508 15543.2400 21163.3633 16346.8287
PGF2 Alcohol methyl ether 949.2418 6030.5261 217.9415 599.5907 24.3228 3340.0595 1727.4107 3607.9936 465.8881 10317.8707 7244.5709 6968.2285 18229.2714 72385.4162 9191.9380 817.2867 718.3396 563.2933 191.2412 278.7031 231.7498 119471.9000 99.8644 7148.9873 20.8248 12668.4693 2414.5760 356.5047 2676.0007 1224.0961 3395.8750 168.0620 5485.5577 1045.2203 213.5214 622.3124 2706.4194 85.8632 701.7164 791.9575 94.1174 388.5133 534.7559 207.9717 2552.1710 1226.0048 9630.3616 1382.4673 518.3038 2626.0922 320.4527
Phe-Ala-Thr-Asp-Asp 5623.3179 8709.9696 7886.7313 4805.8643 7758.3061 3457.3866 1600.1376 9346.5068 5448.5561 5502.6587 5297.2259 2656.1315 8469.1923 1591.8689 1473.6599 2975.7309 8802.6583 12607.6971 10578.0595 5457.3135 1630.7698 8109.2702 1028.7460 11937.1993 12530.7791 7349.6556 9255.5958 10818.8288 1662.0944 5380.3114 2741.9892 6443.7045 2829.6685 4086.2608 8638.0786 11214.8621 10873.6509 8875.2709 5020.1208 4535.8965 2510.3551 6455.2665 5166.8283 7427.9989 3780.3713 6893.9029 5094.2323 6808.4019 13387.7216 10238.2643 9648.1496
Phe-Arg 3067.6776 8894.7112 2901.6023 568.7725 2824.7527 3636.9736 3525.0063 2934.9796 3703.7913 490.5811 2616.3300 3333.5311 2679.2201 13704.8343 3168.7452 374.2504 3294.2852 3408.3480 4729.1380 2973.6954 3281.8298 3545.8323 3358.9433 3390.8993 180.6025 3528.7015 422.5064 439.4485 3456.4406 4007.9539 2595.6311 3598.5630 2127.5713 3100.5982 3630.5710 4041.7841 1595.4902 1466.7467 1917.2882 1081.1195 280.2458 2979.7403 2544.9965 2610.3951 3184.2076 166.5838 2428.7087 2909.9486 3047.9805 7202.7915 6942.2698
Phe-Ile-Asp-Leu-Asn 5119.6785 11716.9131 11271.0975 10563.2534 11041.7560 7693.7993 10699.7161 32081.9279 19406.4153 10178.6519 9105.5420 9834.8393 8565.2444 10955.5695 11865.8277 12995.2656 8673.5381 10843.8276 1247.2182 12903.0517 10760.6250 6157.7346 10775.7368 13214.0642 13567.2296 1815.0317 8222.2576 5560.6453 38621.0487 1484.7807 24996.0071 7450.9701 4921.9421 15571.6548 10188.8907 10619.2681 12210.2585 25066.4480 12338.0227 10866.6164 13095.2590 11588.7430 11985.0303 11543.3622 2795.6696 44280.8250 19318.6866 8988.3360 9521.6545 11090.6980 4382.8021
Phenol glucuronide 1514.5452 4466.1578 6783.4181 2718.5451 3470.6225 2970.4126 203.3517 1104.6458 2726.2732 7472.2261 909.2244 4254.7342 2547.6386 3552.1313 2582.7235 2408.4074 205.0640 2055.8865 3594.7873 2744.5265 892.1854 305.8230 3319.1322 2767.5413 2505.5359 2898.5937 2537.2070 6016.2542 5681.9411 1554.1643 2253.6560 3727.7659 1279.3347 2700.2243 5774.1794 3624.1972 2567.3733 1703.5963 1063.2392 992.6150 5166.0030 2451.3673 185.8728 1619.5796 1123.6801 3093.8960 3389.5434 836.7384 366.8776 1213.5912 2518.3734
(Phenoxymethyl)penicilloic acid 3764.7105 1919.6254 3722.0018 306.2267 1788.8787 14042.5036 6562.7935 2955.7119 2832.8903 503.6425 2749.6248 1624.3208 2751.5467 3672.6912 3635.9997 2224.4121 2057.8640 1969.3262 495.6803 3715.9244 539.5431 1945.4063 4611.8031 778.1551 2351.7119 2738.6030 1858.5826 4319.6236 2394.4573 3617.9010 13822.8671 2787.9248 2640.6570 3049.6450 2166.7093 1709.1780 2461.1520 1781.8433 1342.3423 1617.1199 2045.7749 2267.9804 625.1363 790.9733 3628.1312 327.7368 1520.6652 4250.8364 2279.4795 1538.8644 2816.5054
Phenyl 1-piperidinecarboxylate 1184.7321 5020.8180 6707.6562 4880.4141 4816.1399 5590.7656 4805.3373 4040.5070 15542.4039 7380.3526 687.3536 2780.4605 5244.5087 14861.3209 3480.7546 2683.6223 2095.3594 3765.0323 6096.2898 1158.4271 5121.5232 1626.7489 1814.0495 9980.6289 5626.6692 5776.7912 4187.0988 1807.5851 4221.3116 6349.8568 9230.4262 5898.1768 5004.2168 5983.5633 5391.3673 4203.3583 7818.0489 5465.8562 5420.9950 388.3751 9200.5470 2451.0243 4109.2770 4666.4720 373.7450 6278.8560 11261.8233 232.3434 5497.4649 5082.1171 1793.5612
Phenylacetic acid 6519.2737 23788.2665 486290.6454 993.7569 242.4250 10231.8147 333096.2708 27389.1684 12634.0157 42695.4054 431.3038 6879.0793 2826.6722 34856.7948 72335.1034 513363.2628 114.5211 58618.8008 16326.9962 27285.9185 36795.4107 728.6494 34775.0186 26374.2562 253.9367 48398.4040 668.0658 2239.0831 66827.5172 71920.2017 37707.5335 49599.1113 5211.0349 49627.0799 1509.8094 143.4218 2233.9915 573.7794 59233.6141 38794.0606 653.5082 655.0092 37026.2292 28454.3473 18916.9998 76830.7366 16566.6021 131292.8077 43434.0489 42889.8729 27336.1456
Phe-Trp-Trp 965.9885 1405.0883 1475.7065 665.4165 1482.8384 592.9501 675.0286 2171.3464 777.7541 948.1436 789.4243 299.1772 1477.9537 173.0359 86.3134 343.6843 997.7523 3279.6901 1590.1489 846.8288 1084.6885 1354.1809 749.5443 2766.4005 691.0882 1052.2848 1082.2082 1651.2376 200.6398 1145.1656 360.0641 1318.4941 480.0537 671.5934 1427.5618 1137.5098 2303.0657 1995.4326 826.3602 918.3670 170.7661 1171.0798 1546.4524 1176.1448 962.1403 1109.5506 746.1986 1086.6576 2477.5733 1713.5916 1126.2746
Phosalone 1583.8583 5429.8669 1527.8167 3477.6257 1422.5879 265.2118 1413.5841 1820.0990 1906.9697 2980.3570 3495.7496 1721.2014 1506.4648 1345.1224 1947.8553 2221.7406 873.2745 2797.6238 3417.6269 1398.1755 3836.2382 1954.3639 1507.0402 1150.8667 2107.3104 1678.0569 1036.4114 2654.0083 2019.3992 879.6419 1517.1367 1612.2127 6674.0597 2014.3951 1455.0266 2181.3462 3465.9835 972.6802 2627.6704 867.5123 7755.8617 1844.9944 3081.2278 2247.7206 1549.7199 1607.4728 303.4220 1539.5194 2211.5745 1112.8815 1418.3133
phosphono dihydrogen phosphate 5449.2045 4226.3647 4557.7683 4128.2883 4164.8839 4875.7107 4693.0118 4295.8148 4322.3398 4493.2447 4249.4338 3872.8507 4503.0604 3979.7505 4799.5426 4677.9549 4593.5926 4206.9482 4364.4229 4216.3877 4853.4813 4544.4555 4827.9112 5518.8511 4295.5603 4000.1209 3940.5759 4633.1307 4499.0399 4136.2603 4452.2528 4576.4330 4570.4194 4957.5497 4511.0460 4497.1804 4324.0996 4452.1133 2218.4256 4000.9377 3831.3041 4188.2961 4589.5850 4238.4769 4621.7497 4599.0540 4169.6221 4189.5309 4533.3041 4317.0499 4385.6992
Phosphoric acid 613843.0790 143548.1226 630189.5536 607490.0027 745761.2262 762876.8244 605497.3208 700200.6761 943506.1398 84024.4347 530295.8079 645322.5264 400576.5511 436935.1507 1358633.1140 1090093.4070 801998.8255 723214.9761 493450.3446 790384.5103 444152.1194 173635.7843 688739.7156 651223.0702 711934.8421 569788.3436 565840.3496 2259041.8930 934270.4573 93973.5330 353269.4879 1034073.2930 578172.6439 1345740.5320 566681.9216 671664.1605 525406.9677 537965.5586 518201.9501 743211.4837 1300865.2000 771929.7319 586946.5545 578721.6616 328551.8819 613455.1175 447747.5644 702319.3042 1156704.2120 994220.9810 222415.4752
p-Hydroxybenzyldesulphoglucosinolate 2688.5955 3378.9011 10773.9870 3432.8763 3956.4933 16026.1993 12533.8800 4201.4145 1794.9081 3382.3948 2004.2034 5258.5139 3227.2312 1108.0492 1027.8742 410.9111 3766.2542 261.3570 2495.6317 169.2812 3259.0402 2828.1992 8571.5660 3292.4762 3279.4959 8555.1739 3214.7255 3115.8315 3776.2259 3883.0000 1294.4616 4709.7365 1594.2617 1400.3367 420.3076 2975.8991 5035.7590 3076.2786 3017.6324 2460.5913 1323.8841 2939.2919 1052.3265 1657.7100 4572.4405 3971.6835 2584.0155 4660.9503 799.2635 2706.2635 15449.8994
P-Hydroxyphenylacetylglycine 1809.9682 11057.1307 338.9817 3146.1810 2220.3063 3741.8341 2360.8091 4753.2806 2198.3531 5799.0764 2898.1772 2292.5135 3025.5812 397.1554 1629.4735 6937.0122 1779.4702 1871.6347 1119.7201 2274.0637 1102.7643 2074.1619 2349.1028 2540.1268 2435.6134 1446.2358 814.4501 2010.0778 2616.8062 1207.3385 2411.9634 2243.5834 5156.2542 2229.2509 336.9349 1888.5431 2497.4727 3404.8637 770.1125 1185.7588 2398.6561 1781.5653 1650.4213 2042.9878 2351.2723 2324.8166 3119.9834 2129.5717 1786.1786 2224.5612 372.8068
Picoxystrobin 492.1211 727.3349 593.7371 952.2477 563.4976 903.8289 659.0805 170.0027 645.9214 345.3658 316.3002 581.6860 640.5656 215.9064 661.1046 1341.9578 671.1727 950.2157 699.2474 626.8437 882.9471 539.8324 567.9921 800.7960 739.2531 158.5396 616.1713 917.9106 623.9537 798.8614 730.9993 557.2394 1964.7677 712.5342 576.5582 704.6925 217.1428 754.1583 1237.6975 1227.6324 738.7607 701.5050 1354.8433 636.1669 259.6416 720.3239 603.8951 676.5178 478.3217 244.8681 563.7929
Picrocrocin 2108.3752 642.5918 1746.7001 1170.3716 6915.3446 176.6511 1546.1541 382.0491 4186.8925 3160.1344 1928.5578 1968.0237 1638.2446 373.7146 962.5899 12885.3658 1104.2428 1854.6404 1893.6215 1700.2533 394.2260 971.4658 1778.7363 174.1282 186.9987 1257.5437 1210.3084 3146.7779 1088.0980 8142.5460 1609.3884 672.2895 235.1973 953.3054 179.9921 1063.2062 3425.7329 1579.9040 396.4146 1037.5625 2115.9020 568.3163 931.3758 231.5126 1749.4853 466.4342 1936.4694 1492.0481 1987.5216 174.0306 790.0207
Pimelic acid 13654.0260 113.0167 136915.6974 22263.0425 34464.3532 57832.7246 55080.8019 624.5786 22208.0800 543.7399 4259.2160 86255.9393 8013.1480 3312.7406 79084.0750 43073.4764 16196.3855 59400.5552 881.5230 23015.8686 1225.6325 9903.9841 20467.2923 16797.2187 8841.5318 12811.5954 10535.2843 414.1361 696.8736 26324.1337 7811.5906 4764.9909 441.1947 1447.4989 26449.2931 43220.3296 361.0520 5091.3437 86022.0509 654.2404 11562.9361 667.4611 23960.5621 1162.1325 72472.0826 22910.6819 20728.3020 143068.8460 826.9012 42721.3599 28760.8822
Pinoresinol 846.1860 5468.1493 5530.5996 2374.3122 4274.0825 4521.0221 5649.9206 1566.2621 18502.9361 2986.2713 2577.9446 3750.0247 4665.8710 16293.6250 480.1592 7976.6409 2126.7237 1597.9483 7077.1098 1883.5135 10462.8474 5889.7465 2144.7339 4264.5983 1128.1956 1926.9017 4229.1341 4773.5758 2079.4603 11822.8538 16532.8237 2659.2729 4978.7734 2918.4959 3854.1492 3183.6868 22267.2532 14707.7703 4540.4023 2952.8371 6227.5664 6483.3801 2096.8360 663.8260 4459.8800 8720.8055 11185.8492 5342.0386 6403.0828 4969.5940 7555.1870
Piperacillin 3470.0069 5312.8346 11535.6495 2447.0065 1660.5890 2326.4008 2758.5585 5241.7043 1342.4052 5015.0499 5028.3952 102.8374 4131.1408 9020.8279 1588.5747 257.6620 3017.4959 2306.4934 5978.9953 950.1698 4476.6822 4970.7794 3418.8392 5869.7031 3742.5776 2160.5183 4916.8849 8859.6001 2443.7341 3518.9508 525.4653 3002.1457 5840.9071 854.0228 1625.4067 2473.6690 6369.3256 3597.8447 4473.0357 5088.9969 5055.0098 7921.9329 1199.9160 3436.8310 958.3046 3367.4469 1309.1909 557.3113 2255.8569 89.2711 3237.3683
Pivalic acid 3714.3614 1023.9047 6036.9462 1669.1417 1138.9854 2015.3577 140.2677 906.9657 1379.0978 1550.2483 1715.4234 1859.2123 160.4367 1796.8258 569.0117 2693.1217 1145.0622 189.6642 1378.8253 1065.0246 409.4286 4676.2891 2294.8419 13994.1995 2603.3891 2511.0394 461.3344 2718.1708 4232.8915 129.4621 2642.6073 3427.6685 967.5120 498.1411 1496.5511 1777.2352 175.3548 1585.1782 733.1973 750.8250 21296.6708 730.6301 329.8719 121.2238 145.7943 1097.1791 469.0750 1244.0689 1883.9960 911.2349 356.5021
p-Methoxytodadiol 5850.8544 3286.7427 1237.9752 248.0073 496.0062 5192.4125 3899.0004 279.1582 8189.9510 2699.4108 10217.4254 8849.4951 3399.8312 10164.3315 4640.1190 4871.4322 2781.6221 39021.8973 9721.8532 1492.7663 7719.4393 6801.5454 5264.8083 2831.6420 8215.4313 6059.4588 1004.0362 13719.8653 5823.4297 882.7464 5916.8612 4352.1800 6345.7129 6077.4759 211.1493 4881.5458 25577.3805 351.3059 5598.5283 320.1949 6115.7943 9793.7490 6518.4412 5839.9875 6227.3273 4506.5311 1670.0768 4661.8009 8180.3908 8214.0698 5688.6977
Polydatin 552.0600 10254.7542 1055.7061 10611.1041 3521.2640 617.7662 738.0922 1457.8871 4123.7661 6560.8058 16657.3113 4686.3971 1435.3845 5353.6040 3926.6496 8823.6565 7982.5128 4708.9070 9317.2460 1041.6305 9416.6846 17738.0721 3419.0589 3353.2850 3706.7542 4801.5168 10158.9610 5532.2221 4429.5187 9784.6533 1893.2311 4799.2319 9529.5798 6087.7052 6127.6496 7823.7885 11859.8108 6319.6273 21461.4283 8379.7682 3062.1920 15730.7971 7624.8144 6867.4403 5251.1793 4341.4091 2112.1645 1016.5053 5119.3414 9415.5264 5583.4888
Polythiazide 2429.9462 2598.0324 2461.9761 4672.8716 2552.3891 2505.5518 2564.1957 1468.2021 3149.9143 1323.8443 2380.5733 4953.5775 2464.1974 4311.5666 326.7358 3011.3971 2865.1678 2251.6248 4660.9926 2566.3295 1566.3238 147.9380 2075.6907 305.8985 1073.9910 2622.3924 3730.7615 9145.3677 3204.7658 5177.9883 2438.1748 2609.4061 1865.3063 2850.1454 2897.7481 4515.1434 8858.6687 728.2961 2317.9190 1814.4828 4496.4100 156.5254 6167.2262 5266.9940 2683.1412 3107.7116 2720.1162 2857.2797 4530.5183 4510.0468 2639.4689
Pomalidomide 1156.0153 1088.1860 868.4610 106.8299 579.2869 1119.3019 782.8169 708.8837 1139.3042 801.6950 1149.6191 113.2559 924.7479 1051.5561 687.0996 796.4951 776.8195 482.2802 963.4398 845.4403 1577.9027 462.1148 609.5891 1787.5548 134.6049 3103.6755 935.4109 862.3519 2346.1842 551.3535 1011.9631 987.1291 1080.7284 870.9952 927.6101 883.8614 731.5725 930.6124 1046.2771 934.3242 1044.6171 928.1216 768.4600 873.3664 112.8341 938.2602 985.9313 946.7364 1064.3358 1508.1356 787.0684
Prazosin 759.9127 169276.7857 65.2223 156834.5756 284.9279 31.7905 396.1765 61.3101 839.8816 63836.1178 643.9951 250.6457 178324.7239 157549.6485 482.3471 183285.3173 143.6583 199.2941 570.0822 71.8980 5371.1470 90127.3021 9980.8738 12503.0450 323.0173 3695.8050 592.5524 616.4422 131569.4217 18362.2094 641.3632 187.5200 23481.0384 287.2788 238.4108 10201.2610 41.1567 529.8126 22163.6098 424.7204 314.2994 421.4323 1731.1338 1699.8938 3519.6833 15122.0452 32199.2486 78.4817 68.9796 6070.6543 421.9672
Prednisolone 22814.7366 135004.9499 18493.3949 30212.6222 345.0900 107.7126 23007.2615 17235.3517 11314.9652 75651.5713 19552.0845 27408.9171 19623.8371 43631.7698 3443.2074 38692.1857 1501.3945 1249.7764 2975.8663 2095.2847 16509.0654 23873.5631 15809.4501 9431.4017 7025.2389 20207.4036 2407.2209 21595.0168 35563.9676 12683.3754 35320.2748 20759.4158 19251.3026 89415.1068 16313.3277 2616.6610 31031.2724 33405.5459 180162.6559 35072.8557 263131.0054 62533.8631 15560.6404 3719.5052 440.8187 26870.6102 33845.6447 20871.4378 53251.6795 10236.7761 129.4366
Pregnanolone Sulphate 10564.0426 18484.1559 1858.8746 15544.7409 10893.6832 16001.0182 14427.5440 18513.3045 92447.9371 8705.2766 17603.4139 4176.7747 18676.4571 81100.4803 21083.7071 18687.3411 15253.2907 11743.5115 368.4608 12988.1895 14492.4880 3556.7910 3509.6356 32415.4522 22172.4923 45496.6205 2240.4876 12813.5880 22366.1182 1943.8692 25433.4809 7141.3348 3239.2102 50442.8321 13481.1935 2603.7917 11849.4263 15928.8056 185.7626 13321.7392 17996.4151 30594.1656 17364.8378 18475.1274 20106.8137 14553.5347 10061.3152 20405.6719 14275.9886 18969.4884 3396.6611
Pro-Pro-Ala-Ala-Ile 5045.8579 2558.0498 260.0845 5442.3023 1818.8224 3627.4921 2271.4733 3950.5378 1650.6537 5654.0081 4191.0485 1390.2211 4576.7439 7451.0582 1952.3091 1080.5341 1178.8713 2261.8007 4276.3996 634.1390 9909.5863 1922.9991 2320.0175 2090.3187 2736.6293 2375.4647 3177.4164 3877.1924 3086.1230 17882.3737 2840.9349 1532.6678 14860.7248 1449.8406 2566.9279 5935.0981 8885.1336 3312.6609 7796.8125 1696.8556 3568.4159 5333.0136 3817.6654 219.4004 2184.2143 2427.8201 1550.6314 2146.6670 6098.2663 3669.6524 127.3446
Propylene glycol 5712.3210 5066.9125 4035.5951 8694.8834 4950.9056 3555.7024 1456.4023 10329.0184 8319.0826 8104.9016 9129.0264 4537.0408 9617.9059 4327.7845 5067.8949 12407.9287 9709.0638 11398.7390 15371.1780 5318.6650 6606.3862 8566.1598 2574.7725 15691.8219 6937.8505 17331.2534 13354.3810 10607.2602 4654.6247 9109.4408 7110.8564 6219.6907 15307.4995 7110.0499 17496.0551 13264.2172 6572.9904 9215.5657 13713.7583 11435.0038 10918.0110 7948.4830 7540.9446 15516.0815 4197.2371 5814.8286 8959.8486 4449.7155 17290.3074 16061.7771 4898.7132
Psychotrine 1906.1119 2243.7729 1990.3186 2096.5846 759.9335 6115.1909 3090.2461 1821.2645 5484.5912 1222.2983 1707.8226 2584.8049 129.7139 2686.6052 2632.7126 2398.2801 2222.7238 1857.4082 2960.7760 5151.8046 2937.5572 2036.4717 5144.9330 1964.8926 1877.3790 128.0006 987.9907 749.8866 594.7890 3123.7524 1327.7827 1911.5641 2501.5022 124.2853 136.1841 2008.1568 3366.5351 519.0847 4678.3991 1334.1664 2001.9151 1243.7561 560.9139 276.7030 2226.6343 2074.9364 9161.5543 3255.6378 899.9435 1811.2292 2511.5553
Pteridine 5672.1003 1377.5043 15341.9027 35186.6065 5744.9443 14281.2776 8603.3768 6182.1675 10463.8353 4541.2390 47806.2722 13020.9678 1220.5200 2085.4228 6027.8483 6969.4502 32831.1033 22459.7799 33625.4357 2834.2174 2555.9443 15033.4892 4051.1278 5283.8662 8975.0908 35290.7024 34087.2197 1061.8777 50018.4236 1383.9914 5264.6909 6067.9184 3019.2822 30594.4496 6810.4257 10660.0166 45043.4525 2551.0192 6425.4476 7281.2923 60838.1170 3154.4827 11093.0158 25664.6145 6120.6571 3173.1484 2862.2012 6827.1305 17594.1396 7104.0396 17001.6203
Purine 1463.6522 1513.3307 3425.1358 2841.2219 3958.0091 3207.1972 5807.1961 3729.0359 2160.8117 3115.8420 3046.1353 537.7579 3773.4284 5031.5508 6822.1187 5350.4449 1911.0583 309.8451 1210.3038 2391.5421 2098.9358 1206.4848 2038.2710 5222.7364 8343.4672 4478.0262 6878.4670 5951.1747 7865.4990 1647.4722 8940.6975 9184.1929 6654.3185 7406.8957 5086.4344 7621.0457 7484.2574 7426.5002 7239.7181 9913.6621 7870.6286 8891.9652 9635.8839 11631.4068 3751.0537 5106.2984 5970.1767 5956.4263 5642.3441 7060.2862 7289.5814
Pyrazino[1^_2^ 2372.1770 3404.0351 1845.9422 331.8664 598.2614 2292.2712 1047.1228 2880.8631 10523.3464 2469.5753 2647.1338 1702.6873 1087.7085 1429.7252 2279.9614 9110.6672 1964.5432 2515.1791 2238.1693 2928.2801 2626.4802 4456.0248 954.8337 3656.5666 5136.8884 3636.6812 346.5033 4109.3905 3080.2747 3094.5018 9989.9651 8923.1448 216.9286 3352.8243 1418.2076 716.0442 3720.6483 696.6817 2586.2545 601.9598 2633.0085 2586.2041 2560.0676 1565.5616 840.8261 5593.2546 7497.7636 7698.7919 2560.7454 566.7749 974.3436
Pyrenophorol 13258.3489 16619.4485 6675.3303 211.9910 1252.6674 1760.5875 1004.5124 12581.2288 13324.3456 1106.7312 6305.7942 22214.2651 6910.3950 19679.2047 7700.8382 10508.4492 128.2124 6233.5919 914.3584 5972.9737 421.5147 21617.2407 6917.4037 3462.8220 6989.5256 9174.8920 3396.2268 9413.2880 18851.1724 3069.0229 10710.5910 8888.8672 6596.2664 118.9373 123.1093 833.7645 3153.1513 13081.2064 259.1900 750.4943 76531.7340 822.5770 147.5638 1566.4285 1418.8025 796.9133 1988.4853 15844.7167 257.9962 4934.4953 7062.4589
Pyrithione zinc 1858.8992 2319.8671 2784.0814 2060.0012 1604.5828 2539.7897 2886.8890 499.0948 6999.3454 273.9703 5868.6860 2405.9251 2479.6328 8301.9164 1542.3423 2662.1736 1830.3021 1347.6659 2413.7163 2529.5236 2895.3898 2427.8951 2865.1689 766.1187 2436.4475 1177.6174 4135.8101 954.1110 3449.9475 2612.2061 4696.3225 860.2890 1989.0989 2072.6537 1851.5460 1295.3606 1088.9920 2424.2086 1682.7917 1985.9181 1764.9714 2389.0949 2473.5217 889.6534 4251.9615 3023.4618 11624.7567 3557.0167 2060.4257 2012.8264 2080.8670
PyroGlu-Met-Arg 202.8151 280.7157 199.9023 724.4845 596.4374 1173.6277 783.6004 717.1926 468.3523 610.5313 159.8278 655.4823 668.8535 5589.6775 759.4668 826.5802 636.5294 620.9542 930.3491 766.3048 1805.9132 711.9831 913.7725 210.5036 690.0461 983.6888 814.6082 1342.8271 235.9235 1001.6062 677.6155 745.9695 878.5634 646.5589 214.7439 288.5323 1435.1388 901.4843 216.1934 163.8297 988.9749 1126.7141 899.8743 595.1316 811.7068 732.1807 218.5274 607.5110 203.0903 698.9997 436.8263
Pyrrhoxanthinol 6935.4558 115.7027 1218.7759 1772.4233 2200.1097 2451.3708 864.9994 7010.4331 12629.8985 109.3615 2225.5656 2113.4550 2439.9201 4296.6175 2331.4942 1104.1669 2132.0199 2019.0992 1723.7545 1361.0048 387.0250 2579.0102 480.2240 17287.9356 645.3845 538.7550 2240.7909 5385.9741 6967.2060 2336.5949 6017.5709 5348.6700 2476.5920 2264.5092 2135.0369 443.0938 680.8721 6108.9246 793.7866 200.6579 1646.9451 2760.0656 1889.8076 128.4853 2162.2551 14917.6311 5081.7791 5278.8528 138.1068 595.9575 119.2800
Pyrrolidine 150.8445 1586.2797 186.8533 1936.6506 4037.1232 1011.6048 1158.6784 9297.5332 2269.9641 182.8614 2230.9334 2472.4565 2571.3878 2180.8179 1192.0905 2496.8787 4180.5155 3467.0306 338.3238 3654.3888 137.0603 2027.7007 3330.2548 1902.3592 8198.2325 3139.0192 1228.9876 1624.6855 3572.0986 1893.7839 2643.7624 7896.5086 1924.0447 9119.6116 3673.0786 1033.9267 1731.2159 243.0095 1605.1577 3547.3385 1580.9477 1612.3495 1610.9160 5419.6698 3176.9890 3457.2938 1754.6881 2585.0025 3167.3358 4958.6420 716.6088
Quinidine 1642.9257 2115.1855 1552.1515 2263.5687 609.6242 1677.7424 1950.6355 431.0543 1792.9468 1245.1769 1967.3630 1857.3650 1546.7791 3269.1265 1854.2992 2062.0383 1968.1642 1894.1087 2921.6461 1611.4628 1704.9578 1820.4056 1862.1481 1852.8544 319.4850 1831.1305 1185.3932 8197.1316 2041.4121 2885.8248 2214.8238 1700.2563 2722.9200 1983.1086 2217.6212 2775.7531 2416.0356 1771.2328 1692.8042 2156.1469 5794.7983 406.7153 4458.8875 806.3650 1849.1113 2096.2132 1942.4213 1914.9877 3108.0238 2179.3786 1524.0399
Quinoxaline 5903.2065 15153.6652 7012.8985 13601.7434 1751.6910 12037.0188 2205.6495 293.3620 407.3421 679.1446 1981.1177 2787.3098 1359.5291 1164.7152 688.1332 3968.4778 2754.9549 3711.6041 922.6273 2305.2728 1861.1096 4140.7433 15677.7028 2768.8614 3350.9706 4091.4100 7616.6395 238.0843 13672.8996 4032.1383 24836.2146 3018.6607 11606.8994 3078.2297 6080.3080 2216.8506 1521.0514 9911.4560 7056.7511 4237.0825 5067.7878 4927.6450 4088.7933 1424.4248 2051.1001 22297.3107 1001.6978 3631.8423 4001.1096 699.3619 945.1281
(R)-10-Hydroxystearate 594.2299 3498.9848 1047.4107 3627.1857 107.2207 758.0895 202.7715 818.3221 512.3324 2344.4825 175.1424 242.5563 3810.1985 2959.6149 465.9024 4054.7367 835.6814 1008.8314 957.6020 1056.3211 821.9867 2795.9284 827.4365 1033.3278 229.4678 1070.5152 445.8422 113.8554 3331.7422 1517.9560 534.5016 889.6192 954.4213 792.1334 997.4720 797.3298 1154.6493 406.4511 999.3170 356.0789 1066.7142 920.9321 822.0540 582.5002 1291.2091 1672.7277 1582.0134 981.9618 772.8308 824.6873 464.1426
Reproterol 1961.0597 1022.6466 1333.4420 1026.1554 327.7778 1125.1802 1274.1481 1439.6358 1036.3182 243.0257 821.8430 1245.2062 1077.9917 1154.0899 1475.4163 820.7368 1217.3191 975.0635 476.4451 1669.8350 875.9420 841.5827 1505.8567 4121.0694 1211.1175 3959.8889 946.5148 1103.2142 1472.4502 1195.0427 448.1858 1685.8627 1290.4886 1326.7359 1275.7459 580.0230 1060.4305 2293.6570 1067.2943 315.1346 282.8098 659.7665 1164.1564 4026.3297 1247.5396 612.1561 1091.9678 323.5105 1108.3437 1772.5847 1341.8695
Retamine 259.4429 1011.5812 116.4079 1786.2130 401.0222 464.6182 108.8793 120.0341 119.0847 387.6036 4212.2398 785.2362 563.1285 341.4913 420.9954 94.8379 92.5834 115.9442 498.8092 402.9484 1078.4512 728.4559 697.1538 788.5790 327.4280 369.2088 315.9826 230.3274 670.8476 2919.5424 98.7578 521.2816 1002.1322 501.7984 475.7390 1148.1731 798.6693 227.4380 429.1376 908.3810 6122.8364 472.0681 2609.4812 389.7191 513.4568 204.1543 432.8863 201.3636 424.3396 341.1419 370.5502
Retinoyl beta-glucuronide 3004.4264 1374.3797 4410.6402 3553.1819 1913.8136 688.7099 2496.1968 1125.3358 25274.0533 4091.0876 2929.7129 1885.0093 2130.1114 5969.0085 3805.4158 1504.6211 3499.8821 3129.2359 1533.9815 1374.4312 3149.9874 830.7379 1797.5174 675.9608 4418.4770 1261.4519 3853.6099 6991.9905 1469.1796 5294.9425 6612.8735 1897.9113 3416.2538 18841.3489 1561.8464 927.3002 491.5862 5909.6571 3231.0941 2333.5442 573.8313 1542.6055 3139.4271 3353.6692 219.7582 3158.6619 2383.9563 749.4735 2891.4074 2997.0663 1404.4962
Rhodinyl propionate 443.6381 590.1402 372.3111 238.9678 431.2313 233.2043 444.1755 444.8086 278.3421 371.4796 255.8304 480.4394 297.3496 317.1125 318.9313 385.4266 528.6801 540.2983 290.7646 94.1561 138.3867 675.8941 282.7289 246.1473 135.1970 446.0187 139.0797 130.4964 280.8344 229.3815 256.2610 251.3065 184.5237 130.3945 361.9874 261.4572 499.6938 375.4651 100.2067 123.3745 170.7055 140.7286 130.4544 245.7890 176.4678 229.5215 191.7350 81.1810 306.0393 194.8068 175.1671
Ribociclib (LEE011) 922.6928 1451.5100 745.6184 988.4942 909.2820 792.2703 716.2256 1946.4702 826.7961 2198.3931 2178.7041 794.0328 658.2643 287.5413 688.6865 101.3066 751.9263 911.7996 1669.4835 109.9431 1134.5308 111.8670 635.3541 1967.1477 1605.6602 913.3444 843.9501 2717.9831 901.4167 490.2623 833.6534 829.9409 2302.5397 1164.0901 573.8425 1877.6711 1001.6084 1292.4040 1806.7822 2194.9494 1536.7372 1903.2555 921.2096 1801.6139 829.6521 227.7205 262.4256 653.9150 1178.7645 539.1087 317.1166
(-)-Riboflavin 12628.3146 1291.7955 1094.0522 1370.9890 1672.6143 435.2538 158.3011 2556.3021 2383.2362 1892.8960 1816.0163 618.7394 1658.9959 138.6688 631.4453 2109.5185 117.7355 801.9202 3187.9859 581.5371 1509.2362 442.2356 1338.1328 3224.0818 1972.1158 3208.7632 1737.8551 1209.0671 1467.7076 1827.4958 9385.5592 1077.7506 2326.8780 974.3962 1684.7155 3184.5725 1794.1775 1968.6653 2650.2819 1192.3362 2232.0566 1986.5275 1204.0106 2554.6130 1515.7464 1079.3569 1036.8515 690.4812 2945.9965 1649.1043 1381.3578
Riesling acetal 13159.2380 14708.9599 14032.9808 13745.7389 17319.4812 14663.5084 15650.5851 15071.3969 10887.1225 13886.3549 13581.2842 13868.3419 14372.7515 13654.9673 16952.0665 16030.8009 15894.0543 15012.5430 12170.5050 19935.6813 16104.9998 15531.4352 14155.1958 13674.3875 16324.6158 10670.8088 14802.2174 13825.8272 9160.9100 13206.9796 9378.3898 15561.9937 13425.6833 16539.1617 14846.1107 14042.4573 11235.0068 14905.6451 12886.7503 16904.4969 10418.2289 14704.4345 15080.9955 15483.0056 16564.5593 16485.7475 10777.1333 13075.5904 12907.4156 14747.6030 17453.9341
Rigin 70408.2189 23540.5090 102082.4145 18242.3373 17424.7028 5018.1177 160.1387 989.5105 1785.7283 50.6141 22.2008 362.3762 1077.8689 211939.1263 76.0447 670.6142 2859.7673 10811.3613 101.6258 195.0463 93.7162 1340.0642 23076.2666 889.5903 308.0345 16527.8994 11839.3018 494637.8400 11540.7216 19.8074 914.9494 753.5701 1349.8193 59.0644 29314.4787 2331.6229 70722.1658 19837.2119 62.0197 159.3756 562.9397 12.5787 21347.9714 220.0885 51.7305 91768.7509 80048.1543 1796.2916 208.8394 412.8495 25442.3829
Ripazepam 470.3357 936.1986 510.2436 814.6289 491.9058 213.5775 447.2927 239.2075 725.9989 1118.0650 1080.0431 439.8684 555.1333 1438.5275 426.4598 606.2387 485.3500 572.1093 2191.7032 440.6200 1336.4654 709.9900 433.0909 1321.3796 191.1996 595.7163 795.7687 986.7502 610.9796 922.2932 614.7736 354.3908 2071.7188 196.5893 482.9570 171.9799 1269.3275 215.0095 994.7978 234.1242 1125.0360 505.4086 775.5261 447.4202 474.7055 606.4821 667.3547 438.6056 1224.0737 212.6146 439.6498
Rottlerin 11815.4042 49822.2924 10604.3354 1286.3589 14028.8514 12612.1071 11099.1088 2167.3142 12313.0387 15320.9677 2114.3402 33882.0547 10986.4096 15756.8049 14192.1526 12548.8479 18973.1287 41949.5987 13572.8116 13994.6799 12391.2683 12021.3479 10297.3614 8770.4750 12449.6707 6071.8154 8089.9496 11834.6853 9086.9457 3635.6298 6229.8792 4750.5906 3527.4719 6047.1774 13569.0428 1228.4760 14559.5888 9742.5175 9910.6084 8027.2581 604.6460 11598.6295 11294.6889 1504.1663 15320.9034 12386.1851 3520.4803 12021.4184 9615.4764 3703.8107 11736.5788
(S)-3-Methyl-2-oxopentanoic acid 66519.3469 2902.1059 1399.6459 2947.0296 23261.5246 2615.9441 3271.9251 14331.3412 11226.6551 2755.6457 5449.0320 2312.9354 25543.0798 2363.0597 10165.8819 36786.3387 3037.0120 4178.7670 3286.4848 21688.9771 2266.4891 6238.9970 2120.1343 47217.4446 26403.9751 26219.6026 8209.2640 3393.0616 34005.2011 3641.7221 3810.2583 11107.3080 9911.8665 15946.7873 6817.8830 7545.8541 1587.3825 9693.7298 4279.0546 7485.1179 18224.4981 8428.3373 60986.4803 20537.1886 3052.5771 53485.4839 15590.3937 7547.4750 4725.0562 16554.8933 3135.8933
S-Adenosyl-L-Methionine 1554.8769 1186.0587 34956.4899 11041.2547 841.4460 40885.8959 242925.0471 5596.4629 17779.3066 69940.7265 11876.7769 27946.9568 17975.4151 1448.0364 46787.3697 17604.8539 17531.9628 21489.9730 297.5632 37159.7402 14288.4438 3152.0389 1690.9101 1874.0393 23334.4402 849.7664 8838.4036 610.0618 2106.2310 118.1762 854.3806 7134.2051 3043.9170 2037.2352 2367.2204 3551.0688 3436.4741 585.6627 15376.7006 869.7462 13279.6659 1402.1302 1278.4239 4055.7317 34383.1665 2227.5881 1293.7243 49141.8019 9169.3462 1157.9214 19659.0219
Sebacic acid 3982.4927 1892.2811 1524.7391 3054.6343 3022.2120 3233.7900 3608.6837 4844.0262 1623.8175 3120.0454 1149.2701 1700.3753 254.1722 3128.0983 5613.2917 3858.3836 4782.1599 2061.1190 536.6915 6269.7207 5431.2070 3619.1274 3365.9360 2922.2626 256.6193 1737.1710 2986.3059 2889.0211 2817.7621 296.7621 1795.1845 2536.3347 1111.8627 2201.0487 3100.4472 8607.6327 7141.6093 2732.8676 4733.7001 4505.4232 13287.6100 516.5939 3146.1100 4262.6325 3844.9816 5430.9213 1352.3823 4731.4859 2090.7554 587.9046 4992.3076
Secoeremopetasitolide B 835.0622 118207.4476 815.0486 7003.8729 1205.2385 780.2156 7612.3927 11578.2795 4371.2029 48230.9995 9166.1952 82363.1028 200.7870 30712.7358 3373.7443 18083.6410 1264.7621 686.5657 1716.0762 11337.1420 2157.7292 776.2147 9047.9908 2285.4463 1698.3298 3848.4260 1647.2836 8437.9050 1433.5506 4662.9656 4362.5375 1087.8409 7127.2699 42413.0129 277.9056 3164.7643 18466.6045 30972.3469 147843.5567 19733.9345 53182.4788 29751.0651 4799.9612 949.7637 598.5242 2024.6783 22831.4889 802.5849 6938.5030 3431.7036 41.8601
Selinexor (KPT-330) 1309.9012 572.6057 144.5689 130.2127 135.9912 371.1886 899.2353 842.1247 734.8763 136.9378 547.0429 539.2197 766.7226 798.5780 911.6944 1018.5226 142.5086 474.0660 584.2755 1993.3365 495.3751 581.8473 969.9159 1479.4965 1303.3944 2087.0615 732.4541 860.2365 2035.7109 558.6567 406.6640 1874.2966 718.4766 184.1559 2196.1127 1009.0546 654.0230 924.2247 120.1700 260.2347 997.8712 544.2709 280.4494 901.3315 248.8701 1549.4158 3848.4656 3862.7766 154.5033 894.4490 805.3464
Semilepidinoside A 630.0254 264.3629 781.4186 444.2841 196.8851 723.9136 944.1180 954.5141 595.0705 757.9250 200.6393 707.2322 1009.9710 738.2595 980.5398 859.6007 1004.6780 779.2050 594.9296 852.5053 1057.1124 840.9330 1256.3458 1058.1406 860.2211 577.1117 1031.4434 428.9683 1105.2311 530.3459 271.8763 436.0039 579.8300 849.3626 862.1595 832.8406 571.8517 676.8072 199.3609 1002.3355 417.9712 618.8550 1293.4078 796.4740 866.3324 464.2406 968.2025 230.1326 262.4291 841.9251 173.2527
Ser-Arg-Phe-Lys 7330.8170 19442.5144 7365.4329 87.1588 11869.7354 12205.2264 3054.4205 9375.2911 4375.1981 4372.7615 9722.9602 17227.6060 8945.0584 74.6801 1914.5369 1882.8451 6331.6613 149.4789 5344.1746 6685.5996 918.1276 10305.7771 11469.7785 5909.4180 651.4780 10929.9845 81.5489 78215.9119 7285.8133 95586.0903 5121.1823 2250.4110 8585.1925 9631.4193 11154.6418 59043.8128 10687.2475 17443.6841 4694.8162 12217.2389 41157.1063 15204.8906 14078.3888 14930.9120 2359.8801 24744.2475 6641.9774 72.6386 17775.2665 5369.1194 552.7496
Ser-His-Val-Lys 2511.5935 9767.9070 1611.0722 2539.4327 283.1614 17485.6188 72496.3259 932.2414 1223.5317 1082.4521 10559.0436 5532.8298 1840.7050 19100.2261 4128.2882 865.3969 3878.4489 9479.9465 435.5255 878.0561 15569.1785 5736.3952 1458.6464 14341.7546 1369.0228 2316.4066 28104.7055 16100.1041 95081.1148 2181.9842 23767.4479 107567.6426 765.4402 23573.2259 509.2280 1219.0453 18972.3730 134097.6344 14801.1615 1574.8607 20684.7180 21779.7425 17687.6293 244.1922 2023.4804 24003.4995 1114.2196 3461.0609 12057.0748 12750.2532 5384.7267
Ser-Ile-Phe-Glu 9429.9402 24513.4479 17026.3204 16408.9873 4480.7787 625.9403 8327.6148 13549.0943 755.8793 36149.0553 19546.2160 120.2732 29919.9325 47448.8542 9903.2892 15554.6171 10578.1454 14906.4606 30148.7657 5868.6792 28231.2341 240.1632 8900.1399 11355.0225 10711.9069 6760.5991 16260.9622 36380.8657 14681.1861 6700.5086 8531.3625 9428.4293 21777.0516 7833.2175 10554.0652 16656.2365 29732.3457 9990.4085 26549.2537 20744.9186 28144.9309 64134.6897 21124.2277 18528.6772 6901.8876 15588.0855 22255.9399 9845.0057 25117.9082 16873.4385 2758.6606
Ser-Leu-Ser-Gly-Leu 7695.1524 7463.1729 26535.5627 3682.7394 6746.7916 4894.0711 1223.3776 4820.8784 4852.0826 4808.1247 11463.0168 6458.9364 5137.7360 39570.0136 804.3224 4404.1543 3051.5920 5893.6364 8381.1643 3633.5175 5533.9232 5762.8080 1405.3325 6709.3464 14500.9751 3515.6927 4061.8394 45405.0267 18606.8963 2978.9913 5217.9006 1974.6189 12218.6861 5065.1989 22267.5164 4909.9401 6873.8985 6954.7189 10082.3454 9423.3388 7203.2780 9205.5364 1930.2232 6227.7576 97.4712 30422.9607 50592.3381 4233.8529 3781.7399 2628.5808 3718.9651
Ser-Ser-Gly-Arg-Ser 1030.3135 2788.5833 935.8959 2164.3789 156.5699 619.6599 797.4140 510.7660 789.7464 1340.0433 2101.6199 982.3762 848.7059 201.1036 1025.0454 1090.0222 1190.6649 2441.3032 1620.0353 1000.2186 1793.9176 1204.7668 901.2072 881.8818 1245.1315 303.4219 1168.5355 510.6503 904.9519 294.1372 924.9072 349.2085 3446.6770 1011.4859 1008.7055 2215.7113 1072.1859 798.6999 825.3847 564.3766 2884.5300 1088.0632 2480.1969 2474.1826 826.7533 937.0029 759.5553 929.5988 960.2461 1270.4192 964.5948
(S)-Glutamic acid 1633.9627 8451.6122 759.0520 6776.8819 3916.8485 1790.7577 129.7987 10482.2492 14244.1462 17801.6515 20999.8282 1114.6355 13163.8244 2753.9813 4417.0560 7634.8309 1308.0271 4666.8903 22085.4255 4002.8963 13875.5447 5641.7150 697.0739 41480.6004 14105.4126 9216.2161 14659.4352 6446.3813 9526.2851 6936.5604 9199.3335 2508.1539 16093.5196 12560.7702 5070.7627 17532.9825 7516.1115 18469.4599 32407.3942 25092.7590 18144.9626 24715.1668 19071.6209 18344.7044 4657.2275 11023.3377 9453.5783 661.9108 13254.0439 14739.4000 689.6578
Shanzhiside 148.0202 5497.0580 3750.4204 19647.6398 3066.1777 1717.1553 1222.4137 5053.0482 2115.0263 6745.2028 3557.6958 4251.3867 5562.7122 5457.0201 6409.2856 4070.1176 249.8466 4050.6495 3241.4545 1375.1603 2966.1666 6812.6855 3873.0111 2207.1969 4890.4871 3436.5151 2997.0838 183.8121 5711.9011 956.3451 7325.0797 5153.7910 4333.2155 4008.2458 1290.5972 3620.1996 3957.6281 3308.6270 1347.7943 1455.2492 1444.2182 3919.3703 5733.8953 30231.2616 5296.0713 3955.9973 4356.6560 3695.4787 3613.7568 660.7199 785.6151
Simvastatin 469.6748 1928.5855 417.3692 1003.2303 747.0596 891.0133 442.9071 1287.1962 1285.8397 1592.1423 1377.3395 850.0915 1138.7961 1581.6900 758.9562 270.5475 332.7456 739.2024 858.6690 882.3046 2036.5195 2357.6720 916.0367 1714.0106 854.2990 1608.4565 1332.8361 2088.7080 1053.5647 872.7859 270.0398 569.6157 3039.7455 1037.3423 147.5770 1370.5861 3629.1493 835.9669 3530.0066 1067.5031 2078.1349 1278.1446 1243.6208 838.9266 827.7309 1163.8863 1580.0357 1106.9544 1150.1779 1174.6764 430.9309
Slaframine 3044.8538 689.8816 200.0928 209.6396 806.0263 913.1612 1075.5780 831.7126 807.5745 736.2660 204.6083 857.6246 1067.4877 851.4983 221.6632 236.2422 915.0783 751.7340 448.7502 970.2751 951.2947 3691.2349 1136.2205 853.5288 206.8445 988.5682 693.5260 206.9186 1243.9081 904.0549 1874.3612 1418.1255 676.8506 1023.0597 878.2234 729.6046 819.0917 451.2692 782.4146 717.4466 1011.0680 724.7558 956.7010 741.1640 751.8825 992.5774 948.4443 1135.4631 1540.8196 700.2623 699.4997
(S)-Malate 3897.2681 14954.3027 2440.8955 8842.2946 4322.0507 5010.2298 2656.9685 2146.2574 11110.5365 21737.7579 10242.1947 2496.4329 15240.5131 2612.7406 3542.3906 6024.2368 2600.1413 4975.2021 6080.3642 2766.3051 8585.8404 10981.5900 1118.4298 9350.1068 1296.0520 6841.1925 12175.3320 2232.4305 11118.8054 10047.7132 6490.5735 12200.7422 7172.0724 4785.6168 11838.1855 8145.7620 3635.6331 17096.8287 21991.2976 18141.6314 8213.9584 15615.2155 5587.2812 3243.0659 3570.1519 5662.2052 4768.8170 4098.6611 10096.4955 3620.2932 11785.2481
(S)-O-Desmethyl Naproxen 961390.7470 950409.1757 976448.9701 979210.5032 996846.0818 1029021.1670 1011191.2240 999903.7264 983819.1124 948384.1793 988597.2900 945625.6726 982663.0828 962120.9875 980968.2584 1007472.0230 959650.6975 956414.0431 941760.4168 952122.1509 943652.4809 959883.7233 990144.3923 1000327.9200 1017468.4210 977994.0786 996796.9021 1009253.8530 1025400.1430 969068.3923 1012016.2810 1009678.8140 1001010.6960 999920.1270 999941.4408 981822.6050 959026.1654 958978.6515 973148.2224 975519.9473 990150.5426 966519.6703 954912.0644 1026707.4850 989580.8362 1009446.4530 1005898.7240 1019458.2950 1032021.8240 985499.3154 1014328.7330
Solasodine 3475.5443 135.6604 785.5966 2622.6234 147.8684 4875.5977 5622.3293 2760.7874 1565.6552 273.0050 2282.9114 4828.1501 4291.3991 2780.3320 4465.3892 2941.7576 3435.5110 578.2902 2555.2041 3513.9537 2760.0751 3257.6366 8590.8657 3236.2173 1757.5122 3806.5514 2492.6872 2691.6372 3050.5285 2681.8440 4334.3355 1073.3793 3328.9536 119.5601 1035.6039 2464.5735 2428.2231 547.1260 2604.9825 2325.6746 2493.6581 695.0168 11609.0705 2501.1930 3168.7308 5262.0797 3189.5824 11272.6103 2866.6098 965.5996 2180.0818
Sorbitol 6-phosphate 91671.3447 7542.8383 64071.6051 989.9421 48975.1004 63261.2839 94770.0531 60203.0184 27434.5688 1899.4984 3881.8467 70137.5748 16834.9421 24068.7585 50525.3399 14597.1273 40489.9627 27759.4249 8620.0313 3317.9082 1677.3368 17347.0526 41386.4103 2422.1763 6061.5933 15061.7331 13157.7841 28168.3386 6503.7659 6479.0668 5090.2489 64338.5804 24953.6426 12618.9060 44706.4764 23222.0753 9611.9964 5356.7959 5218.8277 9019.2840 4395.1975 1509.2109 3681.5602 16853.8045 16438.0911 3416.5662 12627.4816 47815.1681 19567.1247 8511.3410 37980.9161
Spectinomycin 1215.7386 7873.9511 5062.3172 5201.4849 5708.1393 1581.9341 1327.6869 13663.4439 5210.8146 11663.9656 15094.0668 5073.5761 3291.4809 3940.3783 3710.1681 4519.4223 7243.6407 6219.4779 6951.0448 2141.3541 41860.4734 8176.6224 1492.1519 6372.1966 7306.7125 6701.3680 14837.8971 13779.0772 1424.0478 19161.1497 4243.1026 6041.3316 15350.2118 6403.3389 7267.6380 13161.8798 9847.9412 5607.1362 16503.5694 13459.3775 22054.6322 17063.0703 8441.5058 7796.4322 4955.5449 3847.9333 4010.5290 3670.6512 18934.7192 11402.0150 7138.6561
Sphingosine 1-phosphate 199484.6876 139678.0440 38184.3101 131154.2428 297938.9027 82573.9367 52995.9882 172660.6181 88991.2954 76258.6908 108961.2091 52710.5632 85187.3879 10858.0542 28434.0890 49947.4732 196812.2633 128616.6448 57352.9055 87007.9580 28524.5146 37267.4639 14238.2452 160142.2399 238083.6686 103861.1630 185799.5060 142651.9534 44402.8741 120615.9967 107776.8135 59971.8887 42102.0524 71060.2787 101095.2810 107744.7175 88896.4430 228805.3032 98207.5000 83198.9171 50381.7150 95972.3161 115706.2697 111362.2089 80965.1490 123959.0978 66832.5881 61231.7466 353191.3295 107249.9287 185465.4491
Spongothymidine 4386.4776 1905.6467 1394.6815 1373.1598 144.6503 1445.5886 1213.2666 3081.4110 128.3169 1956.5060 2717.2682 1440.3669 1507.0499 182.0279 1521.2689 1949.1936 735.1818 2332.7522 4919.4167 1676.1714 2007.2196 276.6445 1569.6829 3545.7045 694.2980 2259.1677 1554.0069 2672.1458 267.2305 148.5970 1626.7108 403.0360 2145.7814 453.8105 3061.8889 1919.9191 179.6641 2701.8404 687.9975 2493.5750 655.8449 3412.9386 4704.3430 4698.2575 1220.7508 136.2292 1492.9261 1340.9129 1386.0193 2870.5145 1342.6132
(S)-Pterosin K 2058.0207 3159.4968 1736.5011 2866.9410 1980.6493 2540.3719 2482.7385 856.4284 3480.1068 2203.3349 1370.1255 2980.9366 2301.6886 8392.8460 2187.0071 2446.3932 1989.1656 1874.5789 1376.8459 2733.8916 2429.4229 2839.3713 2207.2105 677.3226 700.5466 2015.7637 1902.1797 3791.6573 2525.3742 3453.1199 2726.3516 2133.3252 5747.3296 2156.2406 1780.6784 319.2668 9381.6069 2913.2333 3795.5771 1552.2286 3685.9522 4993.8925 3459.3659 2606.7804 2433.5574 2783.2192 3017.7783 2403.4698 1022.8645 2115.3509 2172.9533
Starch acetate 442973.1168 1515.4108 105687.9795 32812.4916 23843.2633 306380.0539 139513.1409 628852.1386 21990.0142 738.9991 76381.5433 353075.8407 11441.1858 322814.4045 101439.6953 2556.6121 13354.3905 3692.7184 21233.0705 84157.3284 537.4882 37285.3848 122192.7585 75663.8201 12862.6026 323277.9971 4814.7368 48905.7258 274388.5229 5220.8903 13956.1060 131145.1833 48769.3473 96390.2988 25026.5160 23462.5505 128621.4129 40195.2692 18317.8860 7234.0164 123790.0641 183.6953 3383.9827 22822.7755 5385.5022 161.3243 54360.5580 16616.5868 8530.2630 190943.1205 76458.0043
Stebisimine 1470.0574 1332.4626 2661.4301 597.3667 441.1443 884.4865 481.3031 1311.1385 382.8085 779.7543 821.3011 671.6885 1325.4127 3317.3511 702.8152 72.2857 786.6360 316.8020 698.2285 188.0294 993.0921 1377.6090 1088.8596 1735.8770 1401.3567 831.9504 1297.0032 4384.5764 1280.5326 423.8779 548.5071 813.6959 1473.7451 94.2613 777.5927 454.8152 748.6735 799.5528 1174.8872 848.7128 757.4525 1629.3311 115.2286 1140.3600 83.5872 2987.8507 2722.3123 549.9016 464.1155 821.7679 974.7603
(-)-Stercobilin 58405.5168 9384.6701 36792.7938 1353.5273 16377.4268 56652.5205 40105.1709 24634.8495 20230.5351 47228.5918 33024.8734 16026.9957 2432.4337 42736.8762 20602.9551 40302.8387 33717.9292 23164.9636 48754.2117 42643.9662 7711.2617 9015.4827 64311.1890 482682.1815 169620.4496 66279.4393 6033.4352 29508.0482 54456.3782 37920.7591 54182.6867 53960.6179 197446.7545 19850.2433 1311.4306 45934.8258 40716.7997 3554.4331 67355.7763 28772.0536 150186.7117 748.6667 23840.6760 51758.7455 12982.1377 55654.7165 44605.2514 45972.4392 3293.9001 32407.0003 1406.2271
Stercobilin 16458.8963 26712.6060 2526.6185 9692.6362 12860.3673 11653.6295 10348.0365 16853.8988 14713.3147 30022.1097 17668.0598 10463.5503 12836.0617 21928.0203 7572.2078 14121.6533 14956.1472 21575.3770 41291.4306 12105.7366 23656.1935 17309.3670 10465.3376 19723.8590 28437.0550 15345.3010 9132.6310 24648.3854 16057.4991 3270.8269 16113.1997 14216.6564 10053.4919 10073.2081 18235.5075 36266.6125 27166.0814 16671.0727 35715.6585 27810.9762 38610.7268 13015.6762 22514.1487 26224.1439 11194.6190 14355.3555 16885.7460 12898.9201 42989.3127 33128.3693 8954.7739
(S)-tert-Butyl 2-((tosyloxy)methyl)morpholine-4-carboxylate 175.5101 434.6762 329.2789 511.6309 543.9561 784.3711 203.3243 558.9548 313.4567 376.2354 458.5986 141.4176 291.3527 857.1831 506.3767 717.8225 600.1440 445.4989 644.0163 556.0363 520.4832 908.8763 554.3177 371.3903 392.2389 151.9289 800.4951 440.5669 159.1557 162.2673 634.5604 433.8353 178.1883 127.2327 172.6399 527.7423 163.8947 716.7616 307.4987 270.4006 582.9346 176.5460 893.0848 606.8886 706.8419 366.7441 679.5162 553.7469 524.4197 297.3479 567.6126
Subericacid 7757.3211 32644.4253 4056.8924 25228.9211 15439.8152 8113.9312 6706.9172 23364.5583 14787.5051 23747.2791 18330.1085 10945.7558 7696.4720 16177.7321 7897.2946 29295.6647 34240.4139 12955.9424 46661.7870 10818.5702 81767.9231 27393.7217 3927.4602 17168.2923 13198.2149 11642.5926 24550.3246 23675.6640 17538.9953 30716.2551 8652.7066 12915.1388 20837.4828 23314.4600 10377.5125 27225.6499 51442.8847 13430.0807 38866.5045 55832.0571 59999.4163 29222.6359 43890.7017 29048.9838 12507.2708 17784.7194 9738.9529 6057.3129 61565.2487 25203.6580 12923.4840
Succinic acid 1054.2691 519.8726 2305.4336 1165.7865 317.1612 3012.7292 1523.1215 537.6753 499.8964 170.0844 143.0099 95.7884 74.8601 1481.4187 1309.7010 69.6600 198.3315 372.2195 314.7020 1523.6479 920.1661 80.6905 19633.0128 2057.6324 1239.5807 175.3997 178.5136 959.6480 854.0979 78.8875 113.8853 1328.4396 906.6942 1205.9134 170.3265 311.3865 75.0425 625.8069 348.9862 157.8896 450.3625 561.4088 380.9743 227.3538 77.4462 916.1862 157.6456 1366.2201 73.9865 161.6883 79.2423
Succinic Acid 11678.1053 9004.0748 3119.6314 5835.1047 15884.5323 1202.7265 4286.1607 21557.3941 24767.6888 15484.3829 12916.3549 6891.0406 14015.0039 8788.6979 13875.4297 14020.3340 11774.9292 7406.9837 16759.4786 6859.7332 5108.1148 8216.7754 760705.8489 66330.5848 13021.8248 18896.7833 16751.7508 10324.2038 36596.7813 6677.6572 9577.5246 10691.9628 8952.6894 8601.1449 15901.2347 16163.8261 10114.4771 20362.8818 14768.3252 15197.5049 18127.1243 17118.0151 21365.4416 19739.9722 8262.5126 19081.4037 11412.1023 55593.9139 12760.1807 17495.8975 11035.6495
Succinic acid-2_2_3_3-d4 35281.6016 38720.0609 37550.9896 39994.3728 35326.4748 36381.8300 37875.2819 34651.9425 39839.1479 38596.3291 35343.9716 33314.5148 40318.3130 39531.1641 35322.3212 40288.6807 35017.2111 37048.6127 37274.0680 40125.0443 36092.0039 37687.8949 20793.1969 37635.4148 35127.3623 35590.1117 38179.4626 36463.9921 34463.6043 34088.4224 41437.4661 34026.8425 36085.7058 36045.7024 39208.2677 37387.6638 34774.0087 38192.6218 35666.9938 37398.5823 30535.1208 36901.8369 38640.2828 37578.9819 41218.5892 40507.5898 40688.4405 38952.3315 37518.0975 34133.1202 37126.1174
Succinylproline 506.2300 320.3526 271.0629 762.6679 537.5935 606.3404 533.0399 146.4707 431.2730 1658.0976 583.9245 540.0846 594.3178 163.2613 605.5558 478.3785 588.4566 478.0531 237.1596 460.4728 228.1458 196.7367 347.2863 188.1028 560.4858 521.1318 328.2404 148.6422 2623.9230 1269.1960 134.3341 882.6069 544.0645 617.4091 697.8742 196.7869 182.2026 175.0060 1065.5895 348.4736 606.5198 583.9558 181.3947 478.7742 632.1223 434.6231 567.5279 671.9595 415.3038 531.3689 545.4486
Sucralose 496667.4386 1388.1562 1184.9438 64941.3072 11320.3288 92922.8218 92344.4689 115960.2886 91143.4125 605.2219 112469.8175 83796.4805 89865.1244 116524.4051 58440.2300 93781.8916 19877.0040 4122.1068 973829.1255 66918.4731 1452.1033 112342.6061 88096.3854 122818.9096 5502.5471 132046.1064 63279.7804 2365.4104 10500.7251 86147.2517 38407.3424 4021.0657 93858.5420 5433.3808 78259.6035 119115.3977 11232.7027 138188.9479 107246.1294 675.7316 184757.9100 73882.8619 86636.8342 283829.2138 66956.2062 1845.0531 26915.4860 90139.1622 1026.5618 85159.5185 22066.0832
Sudan I 2062.3151 2083.2544 4966.5237 2166.5475 1659.1477 1305.7337 2508.6401 6680.8524 2178.8851 2578.3121 3147.4049 2977.0817 2212.2531 3205.8676 2615.4519 2194.1809 2768.2450 2310.4923 818.0049 2664.7921 2373.0195 2717.6054 2574.2228 2204.7605 2257.6622 375.8509 1864.1940 2797.1526 2053.1846 9793.6731 370.7300 2143.5484 2025.6031 2643.8257 2215.8920 587.9461 1172.1828 310.5922 1515.7624 1839.0881 412.3829 2857.6169 403.8255 2178.0836 2599.1350 2216.8249 2265.4298 2402.0594 4126.2509 2039.2899 2694.7843
Sulfate 1176837.0590 441083.1378 418898.9791 451842.7499 99559.8530 278167.7181 467895.0566 446366.3163 409284.8520 410366.7422 472892.2894 637056.7234 483302.3005 416944.0785 299387.7953 933946.9738 450841.2025 1083869.2150 1101476.0780 461977.9203 455979.1630 460803.6294 360861.9365 363012.4518 451590.3119 745712.6536 464387.2671 300398.4020 442984.1267 364358.4043 408664.6222 556028.8333 278738.5188 506820.5015 490543.9186 425681.4564 337766.8269 394125.3877 312244.8617 494093.8814 271955.5450 376290.3078 388669.9174 671376.6757 465054.9018 499331.1397 440761.7476 502373.4532 916474.8857 460145.7983 417487.4146
Sulfolithocholic acid 53762.9241 330.9415 67108.0302 36107.7422 52167.5045 5790.1817 97.7973 474.9744 7970.3273 29402.0425 22504.3549 10128.7410 45210.3155 990366.9726 387.1363 6187.0717 3602.9560 23183.2533 69681.7646 6695.8738 85340.9183 12289.9662 23756.0572 48297.2215 14848.7656 21313.6499 17245.1369 556209.2131 18207.5555 290.9165 2726.9783 14203.4512 9671.7060 5952.9501 25691.4966 1206.2397 146683.7028 112170.9412 120.6349 35906.9821 374.7699 124866.0684 51676.7057 32374.6983 32705.2260 60396.9655 63203.6554 3921.7654 133.4476 816.8079 33722.8500
Sulfuric acid 518718.5622 397311.2745 727278.7734 538375.7890 564547.9035 544227.2026 2896345.1520 518700.4047 500298.3763 787302.4102 377872.7394 521875.8053 397870.6944 158633.4151 2347503.5430 469030.8667 933949.5314 684751.9114 311877.1204 1174171.1780 303537.7032 150967.2412 677544.9045 584466.8830 543929.6826 321697.8177 620940.0947 178699.6509 351808.2200 362246.0371 67840.5418 481715.3871 364388.5568 219637.9628 539696.8734 518332.4825 170793.5286 439746.4814 342408.6031 787449.9168 376669.2816 5016964.9700 389512.5142 2402978.4440 612886.7467 521264.3137 396322.4831 979807.7556 346187.4091 416954.3953 851387.1426
Sulpiride 4113.4683 95.8720 25797.5379 175589.0315 1540.9050 11209.6094 7422.3801 744.6286 15117.6028 3436.5811 25344.9721 28614.8278 32595.0573 8744.9056 40635.4792 23351.4190 6349.1305 24265.1910 282.5038 9025.2678 228.7864 42544.7986 27324.5613 15445.6705 44679.7222 5482.1909 24371.7577 2876.3536 23373.8053 9752.5907 55711.5067 36862.6044 286.1851 56593.2042 10622.0534 2194.6415 31329.0125 693.5638 10554.0094 12904.3039 18891.5275 5567.7529 172.2583 345213.6121 2385.4634 86.6428 28177.9327 30522.9195 1288.3115 6065.5866 8467.2167
Taurochenodesoxycholic Acid 1336.4359 368.4910 595.9374 963.3578 48.4899 33363.5908 307466.7140 466.0251 1097.3748 1985.3795 9263.8004 4430.1033 3373.8258 6400.5148 2375.2908 35.2459 2375.6120 15134.8943 403.7467 604.2041 361.7724 1178.7415 528.1025 3536.2308 484.6179 1497.5070 4173.7838 9757.6848 17482.3797 1524.7290 387.9768 29278.4636 374.3179 7403.4799 638.9477 646.5965 177.5128 28638.4258 8345.6933 1822.5746 9953.7525 635.0500 77.0477 283.6364 1814.7565 88.0877 1173.7529 1133.5307 556.8728 609.8332 2773.9036
Taurolithocholic acid 1134.3587 252.2882 7184.8670 421.1969 3953.0992 232.9537 6453.9677 6748.1810 677.7431 4986.4604 228.7341 901.0291 7400.2538 20956.9397 139.4994 275.2227 225.2491 11271.9244 1636.8725 6707.4150 16164.4091 6868.5557 6599.2004 12024.1761 8367.0928 438.8933 1323.1308 17566.7841 3595.5347 2536.6871 5670.7484 10083.8828 8105.4167 14796.7434 1449.6631 86791.8902 1064.0506 1457.6635 36503.0240 58204.3941 26660.4333 2909.1483 7308.0689 3651.6754 4245.6003 776.7686 8712.3473 7131.2157 2076.8527 4622.7767 130.8706
Terephthalic Acid 58665.6195 367634.8425 31514.0904 210.4478 215.0371 26371.0277 25707.8494 142622.6377 63696.8528 4744.8869 254251.3453 30568.3294 42565.7599 15056.9032 50277.8617 175339.7942 394.0972 499.3611 3314.6857 29368.6476 6988.1707 4284.5870 12173.9351 870.5665 274.7460 6542.8241 288.7784 17348.7588 570.9919 1264.6728 96.6662 31119.4736 2950.2403 1336.0580 353.5645 34119.5771 66707.8503 7810.2383 451.7553 3421.9431 5228.9355 900.7245 58964.7171 232.8012 132.5197 77306.5597 11821.0164 344.4563 20153.5307 649.3680 491.1816
Terpentecin 2412.0639 2313.3985 2041.2341 2413.5581 453.4118 1970.7483 1993.3972 1559.0140 2137.8479 287.5894 1458.4330 2176.3294 3028.4263 1140.3971 1939.3635 2063.3914 1568.6672 1848.0249 1787.3403 2194.6226 12839.2702 1960.1965 2008.5056 5662.0902 2224.7857 1409.3926 1519.5437 2680.7175 1972.6947 968.3144 2135.4425 1776.1737 2711.2477 1849.8768 2165.3039 1833.9339 5340.9728 2277.0999 285.4728 780.4226 396.1672 2161.8368 305.8721 718.1427 1749.5182 885.6891 1394.7888 2342.5348 1982.7129 1918.7638 1525.3386
tert-butyl-[(1R)-1-(3-chlorophenyl)-1-hydroxypropan-2-yl]azanium 4112.1727 1161.4600 4789.1662 13300.1429 2240.4875 4237.4727 4536.8691 10117.2768 4110.0449 2176.8615 4421.0821 1880.2780 4169.8634 773.9341 4875.8866 4610.0715 2126.8539 1221.7222 5927.5741 4207.6492 6208.9184 4209.2604 5196.0091 2730.8778 5744.6112 978.3894 5916.4549 6611.3465 5346.8948 6087.1359 4945.8253 5277.3854 16950.3649 5333.9257 4683.9768 2660.6046 7275.2062 4658.5071 2733.7331 19542.7683 9413.8168 3749.7741 15750.0581 11911.2524 4845.0783 5206.7402 710.2890 3719.1542 5338.5880 2641.1282 3863.3132
tert-Butyl 4-(2-chloropyrimidin-4-yl)piperazine-1-carboxylate 2157.4772 2821.6336 2059.3826 6458.4668 2245.1187 1818.2880 514.7690 2500.6927 2041.1618 2193.8190 1273.9352 2111.6097 2545.4029 2491.6322 2319.9586 2257.4608 1837.1179 6878.3046 4444.3126 2067.2392 700.2414 2805.4800 1514.6503 2561.9506 8196.9454 2127.5110 1840.9283 2237.9949 2308.2568 2197.6344 1863.2143 538.6838 328.1318 2346.9689 622.1049 640.1783 3653.8048 1791.3599 2240.6643 1431.8484 8906.0170 2004.0624 2086.0619 4601.3251 1467.4018 2206.2268 2281.5275 1673.9069 3768.6307 1375.9871 1611.5189
Testolactone 5226.2116 8070.5383 5902.5792 11492.7375 5242.4653 6075.3838 7806.7591 5600.1911 5178.1422 6051.9771 6825.2183 6852.0257 6010.9169 1709.4237 6794.0605 7154.8409 6590.8659 10837.3721 1719.7890 7488.3371 7172.3145 14905.8843 6639.1575 10937.3472 1191.1849 6009.3559 1802.4533 7127.9032 6587.2722 3436.2087 5805.7368 6126.8433 5092.1515 616.1414 6124.9099 5761.1499 8290.3037 264.3878 4740.1608 4234.9828 7932.7616 27646.2307 12389.9341 8411.5120 7849.9011 7222.5620 8328.0368 6681.3708 2305.7663 2850.0354 6710.2917
Tetradecanedioic acid 9482.0803 5464.8068 123.4997 2154.3905 33209.4887 13753.4478 6205.5438 52757.0667 2229.1134 4002.7662 7348.5677 21718.3586 1907.4656 1383.3056 4635.1590 17809.0501 3405.7341 3405.2845 19160.4988 2118.3459 3849.4401 11806.1446 12918.9492 2910.0962 48991.9452 6784.0276 6438.4311 17406.3623 862.9414 3226.2866 3448.2584 10169.1319 3810.0404 23469.3036 16722.4080 7653.9491 1767.2652 2195.6487 626.3010 13765.4604 29715.4868 1292.4865 9673.9590 10476.4469 11970.4570 33035.3040 8181.1427 16912.3068 28242.7051 9592.6087 32959.9521
Tetrahca 1557.3131 2983.9277 546.8745 568.4559 609.9509 200.8856 1172.6307 3732.4937 2069.9784 1633.5994 2302.5169 1420.2620 1361.0376 11380.9319 905.2032 161.1787 91.8112 258.4600 1802.7074 812.0004 111.8428 3888.8564 1206.9050 1955.7866 3974.1627 372.0783 1628.0152 5231.1556 4391.8683 2322.1557 4055.9136 133.1226 729.8830 533.3049 1310.6698 1385.4454 6620.1540 1865.7438 5016.0995 2151.8824 1236.1115 2978.3306 552.1418 2137.2883 979.7643 393.8208 5874.4621 970.1555 1491.4966 1243.7130 333.7758
Tetrahydrodipicolinate 1291.3984 1291.2338 453.0482 2424.3191 1550.2654 2109.1386 2078.2570 1268.3888 2731.4134 3035.1277 2679.8347 5102.9488 2148.2900 3551.3705 2486.5768 2385.5683 2218.9244 4763.7159 3552.2478 3001.4610 3405.6816 2173.2175 1971.2349 1137.0964 2728.0013 416.2582 313.7204 3112.8663 1594.6080 684.5992 9552.7599 1692.4336 3107.6601 2289.4964 2033.8710 2430.5762 8242.4754 3745.5523 6292.2944 2802.5535 3734.3025 4530.5134 3105.7668 2730.4421 2283.9122 2097.2057 910.1897 2195.6924 2849.8172 2605.2611 2080.9119
Tetranor-12(R)-HETE 10249.8103 3068.2467 7399.2656 4321.2495 378.9779 6565.1728 1186.7015 8537.0917 2873.5552 8394.2640 9668.6669 5649.4288 10925.5241 8677.7790 8467.3631 9122.2109 11001.7521 53001.2940 1099.3014 7362.3873 9572.0167 34040.7404 8216.7933 426.7343 8082.1460 6258.2012 3278.8052 7238.0545 9378.1274 2689.3183 7940.5093 8212.9164 3003.8323 7801.5228 12145.4533 5986.6387 5988.8128 7085.9403 897.2573 316.6943 8455.9204 431.7064 8334.9096 3540.8916 320.8522 6421.6820 10484.6094 8170.5512 9239.5742 7962.2061 595.7090
tetranor-PGEM-d6 158.6582 1175.7392 327.7846 1194.1851 242.0138 854.9724 1884.5536 1125.0959 2643.9943 1319.8226 1280.5711 1620.2067 610.4857 1107.3738 1037.9060 842.2414 272.7369 1244.9042 1049.4305 1099.5922 770.5119 1515.7533 1348.7561 1861.0569 1426.5017 1043.7098 198.5098 1409.3482 1207.0130 3366.7877 6689.5881 1191.3344 1455.2413 1246.0409 813.5151 1249.4714 1397.3893 4408.5406 1362.2388 1030.7594 1555.9082 340.8883 1418.0242 1302.2803 248.5972 2434.3217 3039.4539 1121.9062 1009.5269 1130.4826 2094.7260
Thapsigargin 37389.9095 7871.0333 6184.4250 23650.6630 26391.2724 17587.1669 21956.9873 46731.8349 29548.8840 58695.5022 41347.2263 13512.4580 22351.1866 53022.9531 16307.5488 38679.4266 19616.8243 25971.9122 79017.2307 21162.7101 7607.7921 25466.3950 27147.9633 50570.4864 107911.8232 5913.1660 2231.2522 55109.1356 42441.2306 5142.4660 43951.5740 22398.3324 25030.9843 15427.2706 19942.8540 41111.2226 62290.9341 36675.9755 94341.7225 33348.0104 225857.8484 46611.7776 33683.0424 78497.5821 22684.9227 30275.6364 41130.9510 26206.8699 715.5955 22366.8216 20533.6504
Thiamine disulfide 566.8910 1373.5256 1421.0724 899.0690 1261.2550 1748.8550 1491.5290 1570.4068 1396.1509 1250.6128 1213.0658 1611.5894 989.6274 1086.3159 1841.4413 1681.3046 1283.0233 1317.4800 1029.2633 1562.6459 1247.3785 944.0284 1810.2451 1159.4854 1008.4497 1281.4461 1840.1078 894.8002 1246.4597 1358.4548 1300.0634 1455.4310 1467.5773 1603.7727 1715.8725 927.7587 1256.2516 1565.0211 1260.9222 1172.4202 1169.4316 1067.8424 1371.6249 1202.0778 1587.0295 1479.4324 1340.6479 1540.2696 1505.2500 1305.9178 1779.4887
Thiobinupharidine 1698.3662 3420.6541 891.9828 1491.3192 2764.4950 3036.2016 3559.5749 5517.4899 5972.9130 7885.6255 3803.9730 7156.4432 222.9604 2667.9752 6742.7760 1160.6046 1806.6314 2373.9705 3608.9011 2288.6388 98.8012 1213.0758 1567.1447 2972.7567 1593.5923 3157.8450 3848.5049 3578.7739 599.1034 225.4806 533.8454 4817.0961 603.6797 2093.1246 3382.8753 10746.1144 1024.8204 7150.4511 3592.4019 6467.7755 2499.5560 2583.5218 11401.9571 3535.6457 4999.8923 422.6373 2856.9657 1669.0038 1826.7050 5411.4780 2898.6576
Thiodiacetic acid sulfoxide 1864.3932 758.2279 3051.4921 3041.4666 3196.8372 2858.5154 2783.7874 3153.6003 4659.5318 215.5345 1439.4341 5939.7493 2321.2778 1462.5562 2818.1977 1581.6305 2751.6280 3591.4040 3736.6526 2982.3290 231.4280 2557.9274 1067.1649 309.1264 2694.2617 830.5444 2652.6453 4267.9844 3428.9087 5679.7578 2368.7225 485.6998 3095.6615 1816.2673 2391.1608 976.1283 12668.5118 1826.8164 4448.1904 2652.9965 11130.0482 318.6880 3426.3850 3622.0326 2842.9975 3641.7770 9453.6178 3456.9820 4664.4589 2056.4263 2744.0409
Thiosulfate 146575.9094 114286.4353 175191.4534 138734.4581 72931.0466 59366.6084 141278.9288 274581.3621 86447.9888 176607.7927 123228.1389 84602.9631 257260.2462 525671.3107 216810.9079 406594.6058 80772.1761 92141.8066 227521.3321 77803.3610 116367.2546 232853.6172 65700.9723 84606.3712 83802.2430 199655.5664 149345.6597 127618.3001 196937.3157 100635.3446 130895.9010 91050.4231 154818.9846 114095.4149 78453.0523 120407.6771 155429.8670 186845.5036 89775.5344 75464.1916 240755.5739 92464.7455 130296.8948 91552.1658 143382.7886 109510.9264 399315.3310 79974.4456 329512.4948 115487.0608 70303.5869
Thiosulfuric acid 84765.9187 74961.8517 76963.7596 89300.8997 91002.6779 94966.7894 72794.0992 78995.9925 77009.0335 108635.2092 108778.8167 84056.9000 73109.2316 70710.8299 90532.9961 70471.9775 108963.2807 63300.2952 88436.6542 113807.8427 74695.9238 75115.6690 82156.3763 93931.5745 106065.2577 78843.7177 82078.6814 53334.1563 69922.4321 81155.5980 91083.8955 94689.9660 84735.1757 69679.5941 91558.2626 67976.0879 62678.9996 65243.6987 65558.9329 66328.7795 90824.6219 63702.4751 68230.8992 65664.1097 59067.4965 71804.3968 67890.8591 94994.0352 68498.0210 94970.3735 81427.1101
Thonzylamine 47940.1456 56368.4200 8994.4657 65540.2057 310519.0653 61795.7586 10803.1298 67527.6107 92746.9944 244276.7261 100004.0515 65115.3946 118896.4535 210355.0879 51319.3508 109753.0549 82899.0253 9235.5667 88565.4299 157750.6532 387.6235 116461.2429 8413.7793 41148.2450 36364.1475 73805.2313 74767.9128 134905.2670 149223.6455 1444.2373 22573.9751 10324.7093 21246.1061 193505.0196 19109.8673 6921.8305 27113.8773 12930.8250 15923.3724 6742.8323 141.3352 6361.0332 540.2428 141691.0223 192685.4186 221955.1078 151195.2046 159262.7849 7682.3270 113735.0294 101895.0183
Thr-Arg 2070.6259 2394.8725 1079.1661 1840.6720 519.9700 879.8510 158.2624 975.8518 9507.4702 2012.0627 2159.1812 1585.1633 736.3860 4336.7523 1525.6989 1861.2309 162.4263 1206.5007 2481.3899 1241.0174 2131.1136 1819.4153 1465.6834 4861.1421 2454.8928 2163.3619 1741.2248 5272.3077 846.3812 1309.6010 5286.0907 3462.1388 2910.3264 1780.6855 1572.4766 1929.7422 161.6682 1096.9348 2414.2588 1894.6249 2367.3127 2151.9119 1742.2947 1850.0217 459.0442 2071.7031 1680.0530 3163.2938 2309.7746 666.9077 364.4235
Thymidine 8729.5020 437.5367 2207.9802 4635.1252 3467.6294 1728.7591 1051.0527 27163.5158 2091.5618 1012.0452 11216.1406 2404.8560 5125.6151 12817.4540 2362.5128 2888.2089 606.9724 2140.4357 17534.6968 2331.4068 851.9528 696.8491 1256.5287 14088.0187 3159.0847 21296.4824 3950.0555 23055.3042 25399.2416 4199.3337 2108.9771 10350.5852 7195.6922 25600.8780 9442.5950 6098.5660 4766.9498 5011.3721 12670.6802 3110.4323 27022.8341 1611.3828 5006.5635 6591.8765 1400.1764 2144.5792 13236.5305 2118.5668 9793.9308 20080.2210 950.1330
Tingenin B 1224.0669 8314.4095 2090.7190 911.6175 984.8384 1693.9736 1934.4871 3919.5484 2071.0854 7422.9189 6451.8159 1864.2158 2705.1666 8422.0391 1510.1099 2459.4902 723.5819 1884.3477 5651.0554 1411.1010 7438.9822 6974.1129 1707.0915 4451.2286 5553.4541 908.9272 1432.5506 11304.7980 2385.5387 2710.5186 2404.0696 1511.3567 10522.6544 2260.3067 78.9435 1588.1019 7457.7792 2819.6494 8121.1537 4252.7968 7197.0246 8239.6734 839.0782 4773.0285 1495.8421 1697.6789 1727.0151 1567.5976 3896.0731 274.2597 491.2496
Tivozanib (AV-951) 325.4123 2723.4114 292.4954 228.3428 351.0924 496.9594 343.4443 823.7782 800.5478 608.3934 363.3840 289.5132 159.0895 647.5007 961.4800 613.2219 485.3587 139.9658 237.3291 627.2231 656.5632 171.0180 683.7495 1127.1853 242.8611 641.3216 507.7015 289.6096 635.2608 733.8097 1036.1856 1084.7213 528.4571 870.3246 962.6222 541.5998 673.1271 143.8470 617.6524 240.1870 324.6486 614.2044 168.3519 797.9157 765.1406 904.5295 626.3617 173.4381 535.7821 592.8568 748.9108
Tofisopam 22236.0630 18187.3987 5098.2608 15826.7539 17052.5443 15020.4794 2998.0203 28787.0797 4140.3142 17265.1379 17782.4316 16743.5961 4409.4297 16032.2147 18683.2423 20576.9460 16409.8013 14929.4945 19150.7137 2863.3640 16375.9915 14805.8140 17627.9160 22984.6637 21516.9680 46625.3027 17619.8671 1361.3356 6272.7817 2534.8157 16524.3989 83977.6967 17221.5801 28832.5352 17885.9717 19375.7051 1009.2957 35247.6478 19564.1845 22385.8670 21688.4919 24042.3791 18670.8179 23980.5848 6517.1157 2617.9614 21361.4277 1505.8727 17140.6481 23917.2627 3175.7624
Tolterodine tartrate 831.4869 1356.8688 656.3972 405.0210 1133.3025 677.5947 630.3863 896.6799 489.9306 897.2444 2315.1562 656.0014 866.9549 713.1669 534.9265 702.6846 564.4624 919.6692 2060.4589 575.8344 894.8747 1087.4971 627.1546 1072.1084 2874.2535 648.9308 614.8338 1673.4303 664.1668 107.0715 798.1038 671.5637 1421.4976 673.2578 538.2631 854.5820 877.7969 1125.6150 1822.0823 1687.6391 1038.5753 828.6068 113.4688 807.7914 531.8747 636.3503 907.6542 109.5196 344.9502 114.4309 108.1690
Trandolaprilat 340.0026 1707.4008 818.4497 567.5966 1348.8024 1280.9575 1980.4382 5349.2187 1716.0523 2702.7360 3316.4986 1082.2742 3294.8930 687.2640 457.8517 959.7543 836.3630 1175.7811 4336.9253 2300.5934 16483.5016 798.4623 2451.2317 4683.7212 3307.9864 6668.2616 4391.6760 396.0574 1085.2504 12362.1385 90.5174 1130.6871 10430.4448 7159.2346 1915.8017 2188.2511 15363.2072 4779.5320 2017.1857 2360.5711 2804.1792 5673.2043 1622.9670 3155.2973 728.3429 1661.1459 9159.1165 1154.4103 4479.8257 372.9061 819.6117
trans-4-Hydroxycyclohexanecarboxylic acid 1671.0745 25799.3161 30296.3933 9611.6755 13136.3616 16923.7462 12041.1494 6135.0752 8778.3251 5612.2853 10884.3544 5900.9216 11460.4265 2813.5250 3431.8432 6736.6061 8904.4348 12492.2956 6313.8532 2375.7464 3031.7446 2345.9895 1624.7962 5822.1876 13386.8939 2480.1065 53469.8047 185756.1582 65228.0733 2941.1064 4104.9526 3647.7384 9587.8883 76187.4352 7829.9167 8121.7583 6035.0691 9186.4358 13341.2650 11643.5703 10324.4121 8255.9112 7301.8379 8036.3815 3763.6812 19167.4003 1999.8507 3408.5817 6177.7657 22372.7511 5479.0615
Tributyrin 142.5526 2577.2736 3317.7383 2811.9104 5439.2882 3433.8000 117.2058 3161.6052 5263.7208 4484.8691 1765.8916 6541.8912 3109.9706 762.0070 2006.0644 1304.0319 6350.7320 5914.2177 4285.4019 3937.7020 964.5534 3440.7650 311.6239 1227.0376 593.6474 2893.8306 3476.2630 1563.9621 2091.3663 8580.9397 2614.3204 3332.3033 3103.0285 3269.9413 2186.0596 3622.6597 5539.2575 1101.4196 5965.9236 1563.5423 4470.9249 6352.0549 6381.1839 4163.7959 5175.8392 2237.1236 2096.3849 5202.4061 4761.8378 5039.6717 2200.7876
Tricarballylic acid 2382.1214 18716.9591 13365.8094 3859.4970 3104.2420 4305.7952 2237.5966 2049.1940 16839.6033 9068.8481 7771.0605 2822.7680 9375.0072 7581.4572 2856.6491 1785.1199 3882.2562 3517.2001 4907.5986 5136.3757 32788.5574 12851.5264 558.7721 4002.8576 777.4505 250.4626 13505.1037 3746.7420 2984.5768 16996.1989 14689.9623 707.1002 1325.8604 6331.0823 2383.2467 2518.6543 11662.3158 7343.0265 13286.2585 13467.1774 4643.5291 5845.8029 3187.6760 1271.4113 3921.2594 11833.7054 4000.5043 3594.4513 4656.7960 340.5653 17866.7833
Trichloroacetic acid 16001.5348 34344.1709 4870.7226 11817.4819 5162.4675 5266.9382 6446.8326 7162.9533 4612.0513 7382.2286 8117.2834 4515.4837 5948.7978 6609.1302 4400.9078 5620.8350 4967.6159 5250.1058 7793.2633 4312.3150 7205.2632 7307.6028 5805.9374 8356.2091 7627.8160 11458.5017 5392.2354 14065.9872 10259.3147 13961.6803 5517.0277 4312.8178 38794.9551 5814.8792 4390.4093 6868.9991 7604.1467 6372.7059 8013.4577 13648.1552 7847.8554 7452.4296 6572.7565 15560.0129 6318.9113 9026.0462 12888.1767 4928.1618 7211.7923 4658.1068 3985.4801
Triclopyr 491.2296 3325.1344 624.1111 5052.1728 1343.7371 1357.6292 154.3347 16371.7973 1111.6795 7170.0438 11177.7554 3001.9330 341.1387 8384.1295 263.8143 435.1015 3600.5381 14304.2410 4948.2494 1897.1488 9154.5382 1622.9629 661.8776 2532.5354 1495.2448 3733.7621 8977.4206 2524.9429 1194.1617 2689.8178 1966.2463 801.5793 10246.9730 4215.0285 2556.4578 12561.6633 15919.7985 6465.6280 432.0070 165.7404 19478.9923 5303.0572 218.6290 19474.5975 1301.7931 488.5611 830.6233 2172.1923 6330.2734 9020.9656 1401.3484
Triclopyr-2-butoxy ethyl ester 1351.7270 1230.5227 2877.4845 137.0021 6664.9288 1980.6535 86.2845 2734.2315 1235.0316 2604.9428 4059.2388 2614.6880 2488.1478 3829.8128 2205.4109 783.0648 1722.8871 4102.4520 3845.7386 3302.2614 6502.1170 8151.5040 3267.3310 1787.6457 682.4688 1207.1289 9954.4058 3005.4339 776.7145 612.9103 98.2691 1539.1985 1301.6723 4915.1004 691.3268 2609.8818 1223.7477 537.2892 2417.9949 6416.7663 7106.6232 831.8140 11053.2732 2455.8076 11712.7430 3678.2539 16798.4333 3983.0991 4634.8417 4169.9934 2962.1715
Tridecanoic acid 2436.3443 10692.1719 2621.7283 4175.0318 3288.1492 4793.8778 1089.0202 4724.4540 11093.4203 2098.1828 4112.5512 3358.8904 3802.8222 12114.0333 2733.9924 5939.3302 4678.5721 5275.9642 11851.2709 1826.3460 9947.0763 1774.4754 1455.4427 21792.9674 10574.2647 5006.4016 3681.2256 3534.0191 7535.6325 7330.0901 6518.2992 5899.0899 26583.7860 5508.0016 7844.6698 3845.4671 7261.3031 4273.8202 7605.1397 5914.8099 11054.3979 4500.8815 10792.7955 5762.3136 3406.9050 2089.5673 7848.9498 618.9326 8822.1376 12042.5701 1475.7311
Triethylene glycol diglycidyl ether 1763.0852 4667.3581 1168.0770 1699.7983 1306.3116 440.7649 710.2936 1637.8163 1266.7576 1870.0345 3820.4923 990.5302 634.1189 4090.7876 1140.2449 690.4374 1545.1750 549.7079 711.6610 584.1470 493.6943 1579.7999 561.8010 1817.8014 1952.9050 1571.6823 913.1356 2603.3362 368.8840 2095.4051 1023.5037 1652.3050 3717.5989 2075.6464 592.0204 4822.4700 5320.9664 1456.1666 5974.7110 710.9296 305.0978 3400.2886 1409.0018 596.4950 1057.6243 889.6361 229.4808 390.1923 2756.7919 1221.2942 1133.5563
Triethylene glycol methyl ether methacrylate 371.7307 1633.7957 1352.1990 721.2181 1163.0397 530.3353 244.3261 1852.2672 703.9872 1357.4716 2249.9837 1323.1274 757.0418 1270.3549 583.9106 496.6243 645.7845 1058.2001 1699.8726 517.3337 3095.2282 1925.1044 685.6928 1149.4672 570.3692 2824.7407 2508.1051 1729.7642 137.4102 2153.1793 695.3986 518.9607 1274.1449 1535.3578 1471.0773 3968.9120 1748.1675 863.4120 2052.7998 2201.7784 949.1198 1686.2294 1324.4667 850.8254 885.6326 939.0609 683.6941 533.7229 2315.4624 1427.3413 1333.3140
Trilostane 3781.0599 17198.0507 441.9979 2892.2449 1553.3003 2221.9090 3031.3331 83843.1406 5223.9358 3495.8918 26604.0295 1969.3742 5193.9628 1439.9905 2586.2891 8105.6767 3099.1325 3485.4676 18737.3286 971.4178 75.4175 4412.7600 1482.5850 2740.1965 2601.1498 2404.5886 3093.6863 1229.4712 3260.9181 15792.5788 7466.6977 4327.8821 1838.5859 2858.7713 1348.5675 4322.3880 14623.0730 7071.2303 5221.6256 2285.7691 74.6618 8730.6126 426.5663 876.7536 9278.9229 4579.2109 25499.7827 2095.0682 5292.6342 2424.4796 5462.5666
Trimethadione 4254.9286 8131.1123 1668.7922 8108.5462 5359.7429 3009.5936 626.8808 7667.0950 4856.1600 11132.0122 9504.5581 3613.8315 4614.1585 2232.2991 2420.3932 19330.0744 3376.3573 4035.9584 10590.6213 2088.8790 7714.0751 1884.2270 680.9824 20668.1511 4549.2901 6672.6709 7500.7280 3757.0688 5874.1340 5955.6101 3686.9379 2812.0222 15572.7991 5697.3689 4240.5249 10156.0127 10411.0032 9204.3818 14880.6156 12836.0225 12075.9942 9120.7085 11949.6135 12028.2005 4307.4842 2891.6215 3482.0791 3072.0140 8706.0596 6163.3106 1980.8121
Trimethaphan 631.8021 450.2600 632.3362 435.9973 940.5528 751.8361 552.6272 507.2074 1095.4074 839.5366 683.4877 423.4940 280.9143 747.6953 509.2417 592.1815 800.6764 334.4861 1219.1005 389.4122 944.2749 893.4436 522.0881 689.1899 547.0167 243.5840 652.9169 810.8289 642.9387 823.2382 745.4443 541.7610 225.0737 167.8347 560.5952 634.7146 910.0362 669.9172 1800.6525 662.4444 1434.5516 1407.9926 673.7032 601.8267 228.7379 155.6941 688.4806 827.5555 822.7259 680.5474 550.4373
Trimethylenetetraurea 1797.2943 608.2890 991.2213 1109.2355 5117.5689 1301.2615 1214.3863 979.2304 629.8251 1223.8391 385.2518 811.3917 1061.4149 553.7007 2949.2203 126.3518 2708.4334 1156.9685 109.2331 1343.7516 120.6643 230.0177 1039.7551 492.6100 1343.1546 1484.2795 912.2902 740.1186 512.6501 794.3265 750.5776 557.6594 1227.2521 848.7762 738.5827 396.4777 248.3602 828.1308 1104.7115 994.9260 382.4704 968.4413 3603.0746 122.8006 737.9558 4744.2516 780.4698 2097.5508 679.2282 791.8924 293.2866
Tripelennamine 604.7145 3898.1799 119.4125 1217.2376 411.9586 1323.8889 897.4586 1040.5395 3989.8653 855.4705 2339.4631 1481.6133 833.6065 2628.1160 1221.6152 243.1277 132.5963 1546.8995 3777.8227 1026.6541 748.4531 119.6877 1223.7028 6827.1344 6918.4080 577.9645 1969.2457 1452.4312 1659.6238 6373.1960 1420.2292 1470.0173 3813.0689 2590.9569 766.7121 4066.8969 6730.0295 2743.3566 5351.0147 2644.1269 3767.2571 965.4611 970.0622 2079.0854 1049.1484 405.3227 763.1699 139.9400 2311.5835 779.9998 1292.5270
Trp-His-OH 1227.1439 836.8851 25073.0178 7789.4342 1371.6248 31519.5473 273748.5837 5627.3243 13874.6103 47474.4680 11300.9759 13856.2388 19468.6711 852.3382 44701.8457 735.2031 30709.4683 15453.4384 19149.1313 33775.7723 20500.2158 2929.2856 1254.0499 1365.5009 11682.0487 607.6012 6979.5560 12554.7370 2101.8426 20696.5596 24388.4561 5994.4752 2546.4788 1693.2545 1775.1424 2561.7851 2950.6833 15856.0883 765.2528 255.3207 22103.7173 963.1597 1438.1067 2641.3415 41824.6072 965.7459 1071.5617 31363.8782 8036.2319 8546.2530 22396.9952
TxB3 [9alpha_11_15S-trihydroxythromba-5Z_13E_17Z-trien-1-oic acid] 2461.6406 4067.6281 3127.0104 1362.3140 824.5703 952.2345 2855.0973 716.0386 1565.5857 16560.1161 894.0294 4310.0380 21906.2889 48089.5088 144.1655 3423.0382 3410.3110 4249.7490 328.8688 2757.6001 5893.0627 2022.2741 976.3349 5294.1079 1025.6667 294.7215 4070.5427 2551.7164 615.7729 24229.3768 2428.2581 6404.4442 6355.2977 100.6088 3119.4511 5666.9738 1523.4081 1051.3665 6041.2208 3092.1414 6049.8608 6714.3357 5983.4399 4224.2721 1469.1140 6808.9521 121.2420 174.7435 1157.6900 2576.0274 952.0511
Tyr-Glu-Gln-Asp 6514.6044 12190.5272 10939.8209 14763.6414 10363.7364 9310.6150 4888.2473 11139.5736 9738.0833 19973.5936 7077.7364 6750.1406 9676.5060 1032.6433 3380.1584 4555.6902 9427.0991 23275.4106 9027.0037 13532.7631 3293.1331 21055.3943 2180.9718 9894.7526 7941.9699 17077.0344 14501.1919 10348.1448 5068.4784 11611.1495 7216.7461 8802.0453 2868.8406 6455.6469 19059.1339 10735.0958 14506.0426 16446.9313 7749.3089 9586.7310 4654.1218 12508.0506 8638.5620 22456.5348 11845.3258 13606.8240 9723.5023 12350.1755 20739.4787 22179.0285 9577.4253
TyrMe-HoPhe-OH 681.6398 198.1018 797.6791 884.1845 736.2452 914.3254 761.7064 394.4389 773.5607 327.8108 181.1443 1425.6669 612.9639 1136.5671 668.2482 172.2547 571.0011 401.9630 158.0570 439.1381 587.4341 667.9552 582.6121 637.2179 200.2793 615.2231 248.7399 1491.6771 641.8575 2337.7027 549.9648 669.8993 749.0477 532.7855 524.6402 779.1264 3904.6214 1875.7094 2765.4008 552.6583 1260.6539 4465.3691 156.4937 670.1228 631.8393 950.9147 290.1308 154.5640 654.3995 201.5118 703.2269
Undecanedioic acid 4858.2783 6276.5791 2306.5318 5894.7766 1984.2498 3500.2374 1893.8114 7190.9992 3668.6744 7797.0580 7953.1926 4404.1538 1502.5792 4438.7060 1964.9836 4438.8635 4244.7123 4719.6214 15805.8963 1578.5220 12875.0279 9404.1451 491.7307 5784.5844 6625.2729 4134.9529 19625.4074 5272.5083 3332.1087 3181.1023 4570.8710 7807.9455 7010.0062 7110.1915 4978.6500 10544.0968 16251.6371 5965.4498 11388.6148 11237.3176 16573.9340 10427.4333 14450.1984 5468.0543 4698.1021 8219.7086 8186.8455 2945.0067 21272.3204 3278.9480 1367.8204
uridine 7358.5174 739.4240 10066.2440 2012.4482 4342.0089 3001.9029 757.7211 8297.1574 1674.6456 1681.9458 2434.3670 2814.9580 2466.8521 3786.1945 5355.8811 2116.9121 9687.1415 10322.5171 4023.8921 7858.4780 100.4657 4126.7206 1305.4333 11329.1511 8420.2884 9334.0304 3800.3219 4756.5569 7351.7528 957.0755 1517.9923 4952.0139 2406.3495 6043.5631 9833.1706 3619.6667 1212.5774 8991.9233 1645.6019 3328.2882 653.7034 3659.4859 2934.9939 17432.4972 2176.1460 3872.1148 4559.7351 3397.9419 2347.4304 8783.7123 3113.3747
Urobilinogen 2310.5246 7706.6121 5050.1407 6227.9868 4732.3842 6225.8633 1228.5417 8885.4034 24966.8516 7857.5695 7541.5084 5948.7455 4974.0756 5802.2436 7163.3059 6274.2480 6663.4274 7429.3104 9677.1773 3270.5808 8976.7251 14892.8122 10117.0800 18876.6362 8703.0340 279.1740 6390.4610 19970.3213 9754.0422 1113.8834 10668.2503 4042.7619 5903.4318 7989.2907 7968.1007 7543.2128 10583.7941 2237.9535 8935.3685 8046.2823 8967.1036 7554.4132 7952.3850 7834.8512 7330.1756 14079.2830 4796.7814 17347.3517 9271.8881 9105.3098 6550.0219
Urolithin A 159557.2824 243108.1202 103622.1657 20085.1075 90017.0392 157177.8542 92503.8152 123164.1833 233294.9376 212122.3473 110281.4286 162466.8641 2579.9723 218019.9316 6777.0599 178211.1905 7688.9889 67115.1175 135099.3154 87362.3295 1974448.8190 1512.3817 168225.4343 344.1841 230922.0925 167393.6205 95616.9097 235377.9075 157835.2105 392047.8512 107465.0669 9895.4124 138.3138 25750.8468 142049.0828 4216.1228 386457.1074 7380.1949 103536.0285 63634.9471 425958.0489 274916.6845 77198.7207 354156.0452 84445.0396 183668.0240 63682.5298 62580.8632 7837.4509 147273.9789 98489.9853
Ursocholic acid 6694.0736 361.6806 13661.2604 82.5704 876.4456 24502.9014 25207.8058 639.0247 44440.3215 387.6681 606.4205 237.3814 1033.0101 10914.1195 151.6560 744.4625 405.3002 186.4579 1195.0664 11057.4253 871.9919 825.2838 10433.6463 1917.4369 422.8992 4631.1205 391.5713 2566.3787 155101.3996 510.8807 71251.3580 643.4834 419.0565 1324.7856 1027.6901 705.5844 309.5387 452.0557 4523.5112 599.2413 648.0628 1030.1644 287.3077 481.1347 52.9606 3636.8312 55562.9064 48852.3134 362.2362 92.0410 2403.2807
Ursodeoxycholic Acid 7269.9153 607111.0096 136551.8381 434616.0881 461393.3198 1281085.8050 709742.9794 759501.1201 98583.0719 632474.3295 753462.9380 1609.3631 652052.5467 348714.8529 668592.5672 874393.1874 194198.3847 242445.4540 10723.2053 5527.1453 32968.8035 35826.1404 275985.5159 833621.3289 1189904.2250 47126.1416 575040.9325 8042.5170 7466857.6480 645200.8725 6700394.2480 1041397.0800 809194.7669 817199.7195 649766.1100 820845.4787 6030.9795 929696.4072 823522.1540 680100.7327 899844.8728 6093.6883 791962.3583 3614.9007 599294.0218 1364071.0440 2782536.4190 1523142.2490 544856.7683 1089187.7350 11709.2185
Val-Glu-Thr-Glu 37204.7198 354953.8564 1475.8021 26167.2318 31429.3751 29108.6650 39074.2753 153061.2288 693.1696 334327.1130 261511.9152 87.5402 98734.2567 356546.1692 23442.9604 96881.3261 22003.8071 63913.1899 249948.4742 452.3211 331593.9756 308388.3876 23662.1163 191526.3022 247712.6732 28668.5355 52187.2767 511391.4574 706.5895 105276.0143 95.6764 6945.5225 483929.8198 84010.1129 5719.7135 56901.8000 322838.7052 120472.3529 356593.4365 167084.7789 324922.2447 353345.3145 32080.9021 214865.2959 95.4656 3539.9144 64014.7083 18968.0640 169690.8753 10276.8800 14261.8697
Valnemulin HCl 797.7946 2570.8634 1374.9999 320.3098 640.6700 135.8271 143.7134 1169.0280 2330.9384 155.8483 1231.2341 876.4434 876.1824 2481.6572 737.8457 1012.4218 780.8202 807.7375 144.0606 262.6443 1541.5153 1301.4262 636.2599 294.4224 707.5318 818.8769 887.6520 1034.5320 931.1396 5999.9677 1015.8525 733.3136 129.4126 798.4010 447.9444 486.9212 1541.1251 779.1806 2363.0167 820.6630 250.1891 1439.9895 166.3953 859.3414 101.7763 330.0525 1712.4391 616.8817 990.6827 150.8242 633.6467
Valproic acid beta-D-glucuronide 18434.7293 2969.1379 49534.5341 6373.4497 30374.8044 56681.7211 20874.2933 68399.9829 213024.0193 14477.2780 2679.8073 783.8406 125159.6991 1354010.8720 158301.0870 118510.6262 639.2129 952.1317 2250.5061 644.3056 3290.8459 52143.4457 56861.2857 101943.7791 35485.9634 80399.7778 13551.6285 1995.8542 30065.4666 840.9709 8067.3822 1452.9246 72656.4410 2813.5735 38442.9470 4808.3011 112685.5380 124.8355 352.3209 836.1407 3249.5619 705.4851 5899.3665 830.4779 12345.2797 2312.9660 762801.9075 550.5331 1147.2235 4303.7609 53823.1909
Varanic acid 779.6401 3813.7573 291.0778 808.0886 1753.3029 488.5280 4504.1727 1951.0327 4238.4247 431.8657 2420.4254 2060.7948 1640.1447 3238.0364 3947.4786 3368.6606 947.0161 1232.6296 3243.5357 2591.5341 1190.2379 1309.0004 19074.8073 3704.6229 4383.0917 2233.0236 1003.3768 3520.0344 3279.4013 3604.8461 3635.3370 2544.8951 2877.5224 3046.9337 2360.7075 2682.4613 4628.7664 2011.3593 3641.5818 2129.5995 2746.2997 1964.2451 178.6239 1088.0805 2908.5182 1864.1471 3545.2998 443.7704 2169.8310 934.7483 1788.7570
Verruculogen 230.7002 91.5262 237.0366 529.3842 618.1495 471.7063 240.6231 205.7789 79.8723 421.5128 281.0416 774.2634 394.4033 693.8294 329.4995 1477.3320 403.2724 551.5954 63.8709 217.9095 1710.0483 170.4522 401.8690 372.1258 398.9667 468.3731 79.2479 394.5917 385.9329 693.2249 185.6256 254.6097 404.2705 94.3509 460.8261 477.2746 1944.3287 1800.8453 634.3849 511.4808 165.4635 447.0169 603.6892 458.1624 64.5588 662.2038 364.3763 89.7458 531.0963 374.4002 423.5790
Vinpocetine 7063.0700 4143.5978 18499.9087 10699.2019 338.3334 4054.6050 702.3166 4934.5319 5760.4283 15145.7284 11485.7716 7298.6388 6270.8867 37837.3763 305.8997 6749.1096 6907.5319 8731.4644 11682.4790 2968.3789 12458.9383 17504.9208 2538.4575 20782.2357 7882.7473 5649.2389 8845.8831 3220.0028 347.5506 17991.2927 991.5660 1113.0158 11570.4193 1596.8923 17019.7817 19785.6395 18326.3967 9742.4073 12955.4853 2180.3064 12771.8557 12993.9699 9351.0768 8671.7108 5565.6420 1104.6925 1399.8317 1325.2756 10456.8168 9037.0324 580.5066
Vinyl chloride 9109.0080 8861.0617 12808.1387 6193.4067 11316.2599 4730.9349 4542.0316 9451.2656 6325.4774 8738.2441 8856.9485 11268.4618 11325.4271 11419.2327 11371.6372 5490.5004 1586.0157 12970.2230 4044.3871 10488.3476 5848.8706 9969.3779 8966.5866 7317.7992 12191.3761 7631.0211 5031.5745 11917.9034 15242.5141 10460.8474 9244.6475 11609.8630 4826.0543 11706.1643 4603.3423 11584.7152 11347.1409 10528.4988 11919.0228 9317.2751 4927.6321 10804.9191 11569.5150 11779.9877 12613.3593 9567.0272 11841.6745 7653.2620 3825.2361 9846.0240 10422.6864
Westiellamide 5797.9628 3594.2981 5543.9779 3580.6516 7060.4329 6599.8958 6113.9097 11573.7519 7204.6939 1641.6178 286.5472 1294.7375 5250.4564 5497.4588 6155.1099 5360.4407 4899.0761 241.4318 1562.3374 5990.6122 398.3787 5616.4091 7902.8052 24664.1452 4293.6590 11432.6361 1033.2009 6450.5550 7222.7191 7639.3999 6737.0271 6333.9346 19138.9100 1289.0475 2815.8236 1582.5516 4287.9138 5449.5279 1835.5759 657.3768 1552.1942 3197.6245 3169.9280 918.2049 8431.1087 6334.2866 6667.6735 6019.9515 2559.9379 2225.5095 10138.9557
Xanthine 64225.4420 67632.8932 26847.1408 161486.5978 40516.0938 19467.6986 11742.0928 203856.7889 112462.9158 108812.2428 132479.2450 38738.6731 92448.5252 50591.7575 37405.7163 70043.8841 98870.3868 129195.9387 229765.1648 25795.6233 84350.9712 91481.5151 5688.3703 305517.5811 159530.8581 280511.5737 171747.4591 118180.1066 71111.6184 120734.1791 51471.5181 89814.5083 218719.0361 138878.7166 223543.6791 178741.1274 123246.5576 194234.1305 217231.1251 177994.7514 216132.9340 175127.8993 121508.7597 232357.5092 70777.0517 49404.5177 109772.5248 56936.9168 307683.4768 181410.2257 54957.1177
xi-7-Hydroxyhexadecanedioic acid 389.2381 1387.9567 169.6630 1187.1595 5351.0229 1429.5338 909.0656 806.5249 280.8460 1067.5824 1063.5821 1179.0762 167.0028 1964.7708 283.2162 1263.0548 1255.8275 2547.3311 7289.9666 1291.3150 794.1515 1503.3280 1287.6865 119.7658 1276.5937 1245.7564 716.3672 1595.5391 1578.5908 759.6150 1413.5199 1369.1538 122.1772 2389.5407 594.6298 1051.8276 2497.4704 907.5714 979.7477 2947.3290 2255.6408 339.6446 4373.7354 1765.7484 945.7793 3228.0978 1131.0314 1495.5797 3916.1462 1834.5704 906.4000
Zalcitabine 1869.7265 1038.0635 2874.4660 3951.5160 4220.0408 7353.6790 2445.8627 3323.9857 493.6837 2242.0563 1236.4757 1154.0359 4713.5792 42997.8297 3074.5668 3062.3603 2503.7388 2377.0209 357.1561 1396.5009 1610.2367 1656.2772 3850.3385 3065.3859 4488.5983 2629.3139 1884.7307 1525.4679 6396.5220 1663.4674 7411.8236 2811.7989 4201.0711 2956.7215 293.2217 2740.1587 6996.1742 3921.7803 1458.8119 758.4711 2853.9915 3591.0639 2105.8571 2511.2345 4241.2425 5670.8271 6945.2366 2132.1250 1034.3849 3148.7468 4617.9889
Zanubrutinib (BGB-3111) 3423.4138 5275.4408 2678.6561 1314.2209 1861.9711 139.6634 2874.2683 1271.2945 9863.7297 7929.3438 5521.1132 2243.0062 106.7494 9260.5528 2975.3626 4107.6355 2520.1683 2253.1142 8454.7991 2699.9993 3522.8395 2390.2369 3426.0969 20107.5082 4937.9054 2179.9182 865.1738 11826.4487 5752.6988 19623.0671 5046.6377 3483.3923 19185.0511 4325.3312 2650.9001 5370.4662 11794.8162 1458.8129 15172.3481 2407.6104 2979.4441 3083.0405 4786.6538 3548.3098 2316.8133 5317.7434 5859.0875 3732.6801 1875.3342 3592.0164 2765.9694
(Z)-Dimethylvinphos 8298.4046 13847.5549 10964.5569 12408.6637 7847.0662 11848.2692 7600.0197 4891.7391 7053.7906 9518.8235 8892.5258 11180.9468 6387.3824 8131.4466 4379.0471 9803.1243 6765.4879 10817.8949 9880.1516 5473.4434 8638.3404 9863.3774 5364.6795 5901.5505 3228.5867 3651.4570 9020.0461 7102.9475 4267.8481 11849.2455 7610.1538 3394.6999 10355.1258 3554.3668 5955.9855 8456.7065 10410.3256 10675.3696 10394.4700 9841.3100 8476.9001 9648.9877 9206.9235 6344.4422 6402.7887 5662.6340 7695.8022 6727.6529 7925.9594 3074.4760 6615.7906
Zinc lactate 12180.6038 11579.3429 12327.2545 12951.4533 12202.1640 12640.5462 12747.6383 12459.9440 12055.8275 11536.0974 12013.0397 12268.3229 11468.6795 10931.2943 12409.8589 11034.0854 12041.6099 11521.1075 11226.0185 11568.2213 10884.3640 11285.4014 12843.2673 11366.9105 11202.6428 11105.9537 10360.2423 11300.5413 11044.4978 10763.3162 10803.0833 10681.8075 10786.8964 11474.5235 10678.0222 10023.6497 9938.5924 10849.3742 10655.6413 10490.9385 10503.2239 10614.7208 10203.3371 10705.0362 11057.4506 11335.2672 10673.2777 11886.5032 11484.0019 10995.6865 11465.9007
Ziprasidone 1844.9764 2588.2458 1913.5205 6303.6408 1822.7087 1728.7305 857.8590 2351.4269 496.4993 2327.5147 1047.6953 1743.0047 2318.3649 2554.9834 1928.5286 1978.4850 1745.3379 6057.8481 4544.6470 1631.1070 1687.0665 2585.5957 1665.4945 739.7403 6655.4269 2126.7954 2110.5636 2673.7756 1889.5082 634.1705 1409.7778 657.2653 650.3246 2377.7612 921.7719 1068.7965 3775.0560 167.9206 1352.0727 2186.1799 11250.7779 2605.0382 1994.2568 3894.1930 1063.0534 2013.8304 2065.5805 1485.7595 3976.9529 1710.3302 1738.7917
Zoniporide 2354.8230 14514.5289 1708.1879 2922.1418 2701.0870 2846.4249 2138.4185 191.2501 3418.6218 785.5855 5408.5195 3266.1499 2415.5484 4814.0792 2142.0825 3352.4987 219.6705 5105.1383 8817.1889 2279.4644 166.6907 3583.2957 2582.1622 4583.4888 4400.2141 2768.8419 1161.3943 5184.3419 193.2514 4816.6869 3502.3612 2974.1985 6088.4218 1217.0730 3144.3471 7047.9867 6372.2434 2922.6777 12499.9749 6525.9343 6418.4766 9436.9825 7734.5498 5793.2513 1136.3978 3000.8893 2897.9485 2677.9635 6586.2311 3694.2926 1955.2295
Zoxazolamine 3574.6556 255.1108 9431.5009 134.7969 102.6118 10904.4407 11793.2516 380.6808 7831.9427 5864.0450 3018.0738 12360.2667 11933.4020 15715.6140 8957.1325 3537.6601 7163.5965 204.6601 8895.5456 1201.8189 1219.7812 7826.0913 1312.8441 334.9580 210.4866 866.0237 7077.6524 161555.6139 17197.0733 64046.1234 5664.6559 3123.4086 12309.9041 3708.2879 6259.9867 1006.7278 82565.8346 169.8209 2768.3017 363.7504 54838.5824 828.7649 4405.6741 99.4713 7279.9631 11239.7674 46884.5634 108.5807 5091.7672 2298.6691 5523.4477
Zygadenine 1085.9561 787.5489 701.0950 976.0976 1058.1649 1356.9982 927.5025 1087.8289 2039.6658 3061.3028 2166.2215 1946.5021 1165.9552 7477.4454 81.2839 533.5570 159.5495 1319.4673 1459.6843 256.2312 1417.2004 1491.8941 931.7554 4011.7177 1412.0487 78.8138 79.8842 406.5775 584.2569 7798.3298 567.8639 94.9463 4489.2861 698.5604 860.4971 2003.3967 3049.3483 444.8436 9147.0438 635.6062 2678.6002 3254.6196 807.9170 660.6827 744.1150 1564.8240 289.2233 356.7269 1086.2470 1215.5283 82.2240
(å¤)-3-Hydroxynonanoic acid 9326.5536 3343.6388 5029.0045 4077.6958 4580.8645 3617.6240 4892.1001 4826.0029 3918.3944 3329.6718 3706.6221 5424.8079 4329.7541 7592.9540 14055.1008 6680.2652 4016.6882 4262.3001 4570.4070 8039.0215 5718.0493 7459.4693 3936.1466 4948.0309 4531.2731 4041.0482 8372.7827 3634.3626 3853.1561 1574.0560 4237.7360 5273.6786 2066.1438 4965.9850 5379.7564 4097.6306 2576.1202 2456.9183 3787.1787 6326.8719 6838.1935 3181.8842 4902.2023 4402.9962 4655.3177 3849.1388 4507.5356 6002.1619 4267.0586 5226.0101 5067.6489
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-(beta-Dimethylaminopropionyl)phenothiazine 113918 2.2641
10H-Phenoxazine-10-butanamine,2-chloro-N,N-diethyl- 10521421 4.5258
11-Deoxocucurbitacin I 5281324 8.126
11-deoxy-16,16-dimethyl-PGE2 5283063 12.1014
1,1-Dichloroethane 6365 2.5713
11-Ketofusidic acid 3082108 8.4998
1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone 193527 4.6065
12,13-DiHOME 10236635 7.8467
1,2,3,4-Tetrahydro-1-naphthylamine 18066 3.4772
1,2,3-Tris(chloromethoxy)propane 62896 12.1845
1,2,4,5,7,8-Hexathionane 580002 12.2925
1-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxy-3-[4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]propan-1-one 131837189 6.8593
1,2-Bis(chloromethoxy)ethane 61632 12.1596
1,2-Dichloroethane 11 0.715
1,2-Dimethylimidazole 15617 2.0233
1-(2-Fluorobenzyl)-4-(methylsulfonyl)piperazine 717285 5.2811
12-HOME 9.2516
12-Hydroxydodecanoic acid 79034 6.9936
12-Hydroxyoctadecanoic acid 7789 9.8498
12-ketolithocholic acid 3080612 8.3572
1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol 5369084 3.0369
12-Methyltetradecanoic acid 21672 8.1542
12S-Hydroxy-5Z,8E,10E-heptadecatrienoic acid 5283141 4.6165
13-(2-Methylcrotonoyl)oxylupanine 5280655 3.3001
13-(3,4-dimethyl-5-pentyl-2-furyl)tridecanoic acid 71443942 10.3982
1-[3-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]butan-1-one 5315573 5.781
1-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate 25245903 0.6954
1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol 193461 3.2629
1,3,5,6-Tetrahydroxy-7-methoxyxanthen-9-one 86180520 2.6983
1,3,7-Trimethyluric Acid 79437 2.6131
1,3-Bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea 21389 3.2528
1,3-Bis(4-ethoxyphenyl)thiourea 667483 4.2825
13-Deoxytedanolide 23426994 7.1412
1,3-Diacetylpropane 100532 5.2969
1,3-Dimethyluric acid 70346 2.3306
1-(4-Bromo-3-chlorophenyl)piperidine 54759051 2.4137
1,4-Dibenzyloxybenzene 69315 3.4606
1,4-Dimethylphenanthrene 62758 1.2497
1,4-Piperazinediethanesulfonic acid 79723 1.8158
1,5-Anhydro-D-fructose 126517 0.84
1,5-Isoquinolinediol 1340 2.2801
15-OxoEDE 53394271 9.1103
15(R)-Pinane Thromboxane A2 57370002 9.7501
15(S)-HETrE 5283145 7.5827
16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone 245229 9.8332
1-(6-Chloropyridin-2-yl)piperazine 3024499 2.7626
1,6-Dioxacyclohexadecane-7,16-dione 94013 6.6926
16-Hydroxyhexadecanoic acid 10466 8.779
17alpha-Chloroethynylestradiol 245467 4.6341
17alpha-Ethinylestradiol 5991 9.7501
17alpha-Hydroxypregnenolone 91451 9.8498
1,7-Dimethyluric acid 91611 2.3307
17-Trifluoromethylphenyltrinorprostaglandin F2alpha isopropyl ester 66695214 4.8615
1-Benzyl-1H-pyrazol-5-ylamine 77061 2.4211
1-Chloro-2-methylpropene 10555 0.757
1-Cyclohexyl-6,7-difluoro-1,3-benzodiazole 70699793 2.3504
1-Dehydro-9-fluoro-11-oxotestololactone 253326 4.645
1-Ethynylcyclohexanamine 121691 0.8307
1-Fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene 443373 5.7901
1-Heptadecanoyl-sn-glycero-3-phosphocholine 24779463 9.3596
1-Hexadecyl lysophosphatidic acid 11825433 9.0347
1H-imidazol-3-ium-5-amine 25245687 1.2012
1-Hydroxycarvedilol 182523 0.8459
1-Isopropyl citrate 9816081 0.8463
1-Methylnicotinamide 457 4.0832
1-Methyluric acid 69726 1.6077
1-Methylxanthine 80220 1.8656
1-Monopalmitin 14900 11.0463
1-Myristoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine 9547070 7.6482
1-Naphthalenesulfonamide,N-(6-aminohexyl)- 4314 0.8018
1-Naphthalenyl[4-(pentyloxy)-1-naphthalenyl]methanone 9799417 3.2528
1-Nitro-2-phenoxybenzene 16661 0.787
1-O-Cinnamoylglucose 5280653 4.4647
1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone 9972176 5.978
1-Pentadecanoyl-sn-glycero-3-phosphocholine 24779458 9.3098
1-(Pyrimidin-2-yl)-1,4-diazepane 2772409 5.1883
(1R,13S,16S,22S)-1-hydroxy-7,7-dimethyl-13-(2-methylbut-3-en-2-yl)-6-oxa-12,14,20-triazahexacyclo[11.10.0.02,11.05,10.014,22.016,20]tricosa-2(11),3,5(10),8-tetraene-15,21-dione 16127841 4.7434
[(1R,2R,3Ar,4S,7S,7aR)-7-hydroxy-3a,4-dimethyl-4'-methylidene-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-1-yl] 2-methylpropanoate 10711913 6.9169
[(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,2,3a,11,13-Pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylbutanoate 23757100 4.7371
[(1R,2R,3R,8R,9R,10R,13S)-2,10-Diacetyloxy-9-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-tricyclo[9.3.1.03,8]pentadeca-5,11-dienyl] acetate 11248178 6.1972
[(1R,2R,4As,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] hydrogen sulfate 21577854 4.9581
[(1R,2R,5R,9S,17S)-6-Oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl] acetate 10662446 5.5048
(1R,2R,5S,8S,9S,10S,11S)-5-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylate 25200926 4.4886
[(1R,2S,3S,4R,7S,8R,9R,10R,11R,13S,14R,17R)-2,9,10-Triacetyloxy-13-chloro-8,17-dimethyl-12-methylidene-16-oxospiro[15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecane-4,2'-oxirane]-7-yl] acetate 21725801 0.8553
[(1R,3R,5S,8R,9R,10R,13S)-9,10-Diacetyloxy-13-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate 15548659 9.0342
[(1R,4As,4bR,7S,9R,10aR)-9-acetyloxy-7-methoxy-1,4a-dimethyl-7-propan-2-yl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl acetate 23251064 8.2752
(1R,4S,4As,5S,6S,8aR)-4-(hydroxymethyl)-8a-methyl-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4,5-triol 15378285 4.5999
(1R,8S,10S,11R,12S)-3,4,11,12-Tetramethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-13,16-dione 91895295 3.9388
1-radyl-2-acyl-sn-glycero-3-phosphocholine 24798682 3.5602
[(1S,2S,3S,5S,8S,10S,14S)-2-Acetyloxy-5,10-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] 2-methylpropanoate 5321778 7.7979
(1S,9R,12S)-4,13-dimethoxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-3,12-diol 25200732 2.7834
(1Z,3E)-1-(2-aminophenyl)-6-hydroxy-5,6-dioxohexa-1,3-dien-1-olate 54730541 4.4131
2-{1-[(2-Methoxy-5-pyrimidinyl)methyl]-3-piperidinyl}-6-(2-thienyl)-4-pyrimidinol 136881501 0.8411
2-(1,3,4-Thiadiazol-2-ylsulfanyl)acetic acid 12634693 1.2545
2-(1H-1,2,4-Triazol-5-yl)-1H-isoindole-1,3(2H)-dione 221080 3.8838
2-(1H-imidazol-5-yl)ethylazanium 25201573 4.0047
2-(1H-Indol-3-ylmethylene)malononitrile 269623 0.7616
2-(1-Piperidinyl)-1H-benzimidazole 270291 4.0053
2-{2-[2-(Acryloyloxy)-1-methylethoxy]-1-methylethoxy}-1-methylethyl acrylate 4128060 3.4024
(2-{2-[(3-Methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid 16420151 4.6066
2-(2,4-Difluorophenyl)pyrrolidine 5109105 4.6071
22-Hydroxydocosanoate 5282922 12.1263
2-{[(2-Oxo-2H-chromen-3-yl)carbonyl]amino}benzoic acid 689890 12.1513
2-(2-pyridyl)-4-methyl-Thiazole-5-Carboxylic Acid 214841 12.1263
2,2'-Sulfonylbis(4-chlorophenol) 3.943
2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid 2384281 4.0054
2,3',5-Trichlorobiphenyl 38033 1.2069
2,3,5-Trichloro-cis,cis-muconate 5282170 1.5582
2,3-Diacetoxy-7,8-epoxy-24,29-dinor-1,3,5-friedelatriene-20-carboxylic acid 6710688 6.8693
2,3-Dihydroxypropane-1-sulfonate 112025 12.2521
2,3-Diphenyl-1-indanone 74536 2.0647
2-[3-[(E)-6-Acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid 45359752 4.7341
2,3-Epoxymenaquinone 71448979 4.0072
2-[4-[(2-Phenyl-1H-imidazol-5-yl)methyl]piperazino]pyrimidine 188942 4.7904
2-(4-((5,6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetic acid 9931891 6.5765
2,4,5-Trichloro-6-methylpyrimidine 231055 12.7495
2,4,6-Trichlorophenol 6914 12.7495
2-({[(4-Bromophenyl)thio]acetyl}amino)benzoic acid 9504953 1.8821
2-(4-Chlorobenzyl)-1H-benzimidazole 225500 4.0047
2,4-Diaminotoluene 7261 4.3314
2,4-Dichloro-2,5-dihydro-5-oxofuran-2-acetate 440410 7.3861
2,4-Dichlorobenzyl imidothiocarbamate 234811 0.5361
2,4-Dichlorophenoxyacetic acid 1486 12.2925
2,4-Dihydro-4-(phenylmethyl)-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thione 736520 4.084
2,4-Dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide 16826960 4.0756
2,4-Di-tert-butylphenol 7311 9.5923
2-[4-(Hydroxycarbamoyl)phenyl]-N-(2-hydroxyethyl)-N-phenylacetamide 71532921 3.2909
2-(4-Hydroxyphenyl)ethanol 10393 2.7959
2,4-Quinolinediol 54680871 2.2798
2-[[5-amino-1-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioate 25244502 0.7047
2-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)malononitrile 788052 1.5579
2,5-Diaminotoluene 7252 1.1917
2,5-Dihydro-2,4,5-trimethyloxazole 31492 4.0047
2,5-Furandicarboxylic acid 76720 0.7466
2,5-Hexanedione 8035 1.19
2-[(6-Chloro-3-pyridyl)methylthio]ethylamine 43249530 12.1513
2,6-Dibromo-4-nitroaniline 13231 12.3922
2,6-Dibromophenol 11847 12.7661
2,6-Dichloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine 270265 2.0648
2,6-Dimethoxy-3-pyridinylboronic acid 2762707 0.7871
27-Deoxy-5alpha-cyprinol 140 8.1169
28-Homobrassinolide 11038340 7.7894
2,8-Quinolinediol 97250 2.2798
2-amino-3-hydroxybenzoate 9543318 1.1484
2-Amino-4,6-dichloropyrimidine-5-carbaldehyde 265546 0.6883
2-Amino-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile 364824 0.8359
2-Amino-6-cyclopropyl-4-(4-fluorophenyl)nicotinonitrile 686655 1.1986
2-Aminoethanesulfonic acid 1123 0.7463
2-Amino-N-cyclohexylethanesulfonamide 3145398 4.407
2-aminopyrimidine-4-carboxylate 25202150 3.0368
2-azaniumyl-5-[[1-[[1-carboxylato-4-[[1-(2-carboxylatoethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate 54758713 7.2365
[(2-Bromobenzoyl)amino]acetic acid 133721 5.3374
2-Bromo-N-(2-thienylmethyl)acetamide 16641278 13.8878
2-Butyl-4-chloro-1H-imidazole-5-carbaldehyde 55176 0.9421
2-Chloro-1,1,1-trifluoroethane 6408 0.7394
2-Chloro-5,6-dimethoxy-3-(2-naphthylthio)-p-benzoquinone 191592 12.1596
2-Chloro-N-(1,3,4-thiadiazol-2-yl)acetamide 326469 1.2496
2-Chloro-N-(2-hydroxyphenyl)nicotinamide 1211386 5.3374
2-Chloro-N-(4-chlorophenyl)acetamide 94920 12.2261
2-Chloroticlopidine 12570090 4.6018
2-Dec-9-enyl-3-hydroxypentanedioic acid 45359412 3.6018
2'-Deoxycytidine-5'-monophosphate 13945 1.1484
2'-deoxyguanosine 135398592 1.4997
2'-Deoxyinosine 135398593 1.4491
2'-Deoxyuridine 13712 1.3003
2-Dodecenedioic acid 5283028 5.7638
(2E)-3,7-dimethylocta-2,6-dienoate 9549327 1.1317
2H-1-Benzopyran-2-one,6,7-dimethoxy-8-(3-methyl-2-butenyl)- 155937 1.153
2-Hydroxy-2-methyl-3-oxobutanoic acid 22 1.7326
2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid 9378 2.7959
2-Hydroxy-3-methylbutyric acid 99823 1.7634
2'-Hydroxy-4,4',6'-trimethoxychalcone 5355469 4.8668
2-Hydroxycinnamic acid 637540 4.167
(2-hydroxyethyl)(triphenyl)phosphonium 494065 3.527
2-hydroxyhexadecanoic acid 92836 10.581
2-[hydroxy(oxido)arsoryl]acetate 3475487 12.3373
2-Iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide 1019368 12.1845
2-Methyl-2-(4-nitrophenoxy)propanoic acid 176930 2.8457
2-Methylbutyraldehyde 7284 2.4386
2-Methylheptanoic acid 14475 7.0015
2-Methylsuccinic Acid 10349 2.0399
2-(N-Benzylamino)-5-chloro-3-fluoropyridine 46738723 4.6043
2-O-(alpha-D-Mannosyl)-D-glycerate 5460194 12.1014
2-Oxo-10-methylthiodecanoic acid 44237296 3.4606
2-Oxoadipic Acid 71 12.1097
2-Oxosuberate 146903 2.4386
2-Oxovaleric Acid 74563 6.1729
2-Pentylthiazolidine 218690 1.2588
2-Phenyl-amino-N6-endo-norbornyladenine 53394567 4.7952
2-Phenylethyl beta-D-glucopyranoside 468284 4.728
2-Phosphoglycolic Acid 529 0.545
2-Propylglutaric acid 134970 5.0627
2-Pyrimidinecarboxamide,hexahydro-N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl- 4218 7.7981
(2R)-2-amino-3-sulfinatopropanoate 49792077 1.7367
[(2R,2As,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate 195529 5.3
(2R,3R,4S,4Ar,6aR,6bS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicene-4-carboxylic acid 11568667 7.524
[(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate 44237351 0.7038
(2R,3R)-6-Chloro-3-(4-hydroxy-3-methoxyphenyl)-5-methoxy-2-methyl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one 21580531 0.8391
[(2R,3S,4R)-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate 3035439 0.7717
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate 21604868 12.1679
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate 23615194 5.8414
[(2S)-1-oxo-1-phenylpropan-2-yl]azanium 25203656 1.1288
(2S)-2,3-bis(azaniumyl)propanoate 6971093 1.772
(2S)-2-azaniumyl-4-oxidophosphonoylbutanoate 45479397 2.5549
(2S)-2-azaniumyl-5-[[(2R)-1-(carboxylatomethylamino)-1-oxo-3-prop-2-enylsulfanylpropan-2-yl]amino]-5-oxopentanoate 91820048 3.8679
(2S,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid 5315848 3.9347
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylidene-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate 125153 5.7033
[(2S,3R,4S,6R)-2-[[(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxo-1-oxacyclododec-9-en-4-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium 56927747 6.8988
[(2S,3R,4S,6R)-2-[[(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxo-1-oxacyclododec-9-en-4-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium 86289218 8.3044
(2S,4R)-2-azaniumyl-4-hydroxy-5-oxopentanoate 25201126 0.836
(2S)-Liquiritigenin 1889 5.0009
2-tert-Butyl-4-hydroxyanisole 6932 3.5531
2-(trimethylazaniumyl)ethyl phosphate 3330960 3.0776
(2Z)-2-Cyano-4-(beta-D-glucopyranosyloxy)but-2-en-1-yl 4-hydroxy-3-methoxybenzoate 124673612 9.8498
3,16-DIDEOXYMEXICANOLIDE-3-DIOL 7.5388
3,17-Androstanediol glucuronide 3034755 5.2984
3-(2,5-dimethoxyphenyl)propanoic acid 5.337
3-(2,5-Dimethoxyphenyl)propanoic acid 66343 3.8609
[3-(2-hydroxyethyl)-1H-indol-5-yl] sulfate 44237265 3.527
3-(3,3,3-Trifluoropropylsulfanyl)propanoic acid 171658 0.7735
3,3-Dimethylglutaric acid 20984 3.5851
3-(3-Hydroxyphenyl)Propionate Acid 3.9429
3-(4-Bromophenyl)-7-hydroxy-4H-chromen-4-one 5398367 12.2593
3,4-Dichloro-N-(4-methylbenzyl)benzamide 803655 1.8238
3,4-Dimethyl-5-pentyl-2-furanundecanoic acid 13963867 8.4872
3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid 709 3.0368
3-(4-hydroxyphenyl)acrylaldehyde 641301 3.3436
3-(4-Hydroxyphenyl)-Propionic Acid 10394 3.6721
3-{[4-(Trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one 2748627 1.306
3-[5-(4-Pyridinyl)-4H-1,2,4-triazol-3-yl]pyridine 918281 3.3526
3,5,7-Trihydroxy-2-(4-Hydroxyphenyl)-1lambda-Chromen-1-Ylium 67249 12.1014
3,5-Dibromo-4-hydroxyphenylpyruvate 440283 12.7237
3-[(5E)-5-{[5-(4-Chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid 1286536 3.3657
3,7-Dihydroxy-12-oxocholanoic acid 94235 5.4935
3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate 443323 8.3504
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate 122312 8.4955
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate 439472 5.8629
3-Amino-2,3-dihydrobenzoic acid 3445 2.854
3-Amino-5-hydroxybenzoic acid 127115 1.8987
3b-Hydroxy-5-cholenoic acid 92997 9.9329
3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid 194501 7.216
3-Chloro-2-hydroxy-5-phenylbenzoic acid 20521547 0.9141
3-Decanone 13576 6.7331
(3-Ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetic acid 764459 0.8516
3-Ethylphenol 12101 3.943
3-hydroxy-2-(hydroxymethyl)-2-[(sulfooxy)methyl]propanoic acid 131833992 1.7326
3-Hydroxy-5Z-octenyl acetate 92034372 6.0611
3-Hydroxycapric acid 26612 6.0777
3-Hydroxyisobutyric Acid 87 2.5549
3-Hydroxymyristic acid 16064 8.212
(3-Iodopyridin-4-yl)carbamic acid,1,1-dimethylethyl ester 10903275 0.7519
[3-Me-His2] TRH 6.7452
3-Mercapto-1-hexanol 521348 3.6184
3-Methyl-2-oxopentanoic Acid 47 2.5829
3-Methyladipic acid 12292 3.0857
3-Methylbenzaldehyde 12105 3.9464
3-Methylglutaric acid 12284 3.5336
3-Methylphenylacetic acid 12121 5.337
3-(Methylsulfonyl)-1H-1,2,4-triazol-5-amine 4666716 0.6978
3-(Octylsulfanyl)propanoic acid 81416 5.4875
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-naphthalen-2-yloxyoxan-2-yl]methoxy]propanoate 90657742 5.9805
3-Oxocholic acid 5283956 5.5011
3-Oxohexadecanoic acid 5282997 9.0771
3-phenylbutyric acid 20724 3.8764
3-Quinolinecarboxamide,1,4-dihydro-6-(1-methylethyl)-4-oxo-1-pentyl-N-tricyclo[3.3.1.1(3,7)]dec-1-yl- 25034551 9.9329
(3R,4S,5R)-4,5-dihydroxy-3-phosphonatooxycyclohexene-1-carboxylate 14506806 0.6938
(3S)-3-Hydroxy-L-enduracididine 136226467 3.384
(3S)-5-[(1R,4As,5S,8aS)-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid 11554552 8.3511
3-Sulfodeoxycholic acid 22833601 5.8385
4-[3-(Trifluoromethyl)phenoxy]butanoic acid 6501489 3.6603
4-[[4-(4-Chlorophenyl)-2-thiazolyl]amino]phenol 753704 0.7121
4-[(4-Bromo-3-methylphenyl)sulfonyl]morpholine 2561513 4.4072
4-(4-Fluoroanilino)-4-oxobutanoic acid 306911 0.7686
4,5-Dihydroxybenzene-1,2-dicarboxylic acid 45746 4.4125
[4-(5-hydroxy-7-methoxy-8-methyl-4-oxo-4H-chromen-3-yl)-2-methoxyphenyl]oxidanesulfonic acid 131835836 0.7295
4,6-Dimethyl-3,7-diphenyl-2,8-dioxo-2H,8H-benzo(1,2-b 3437445 3.9425
4-Amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol 2393252 0.835
4-Amino-N-(2,6-dimethylphenyl)benzamide 13086 3.6519
4-Aminopyridine 1727 1.0843
4-Androsten-17beta-ol-3-one sulfate 119207 6.4191
(4As,6aR,6bR,8aR,9R,10S,12aS,13R,14aS,14bS)-10-acetyloxy-13-hydroxy-9-(hydroxymethyl)-2,2,6b,9,12a,14a-hexamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid 10052734 8.6612
4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone 5838784 4.656
4beta-Hydroxywithanolide E 3836120 7.244
(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methanol 96714 12.1845
4-Bromo-N-cyclohexyl-5-methoxy-2-nitroaniline 70699787 12.1513
4-Chloro-3-(trifluoromethyl)phenol 80520 4.4077
4-Chloro-7-fluoropyrrolo[1,2-a]quinoxaline 15134082 1.2565
4-Chloro-8-methoxy-5H-pyrimido[5,4-b]indole 5399944 2.0149
4-(Chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one 5423877 12.1014
4-Chloro-N-(2-methoxy-5-methylphenyl)benzenesulfonamide 795656 12.1513
(4-Chlorophenyl)urea 8796 0.9135
4-(Difluoromethoxy)benzonitrile 2736990 0.7066
4-Dodecyloxy-2-hydroxybenzophenone 76330 12.089
(4-ethyl-2,6-dihydroxyphenyl)oxidanesulfonic acid 131834405 4.6075
4-Ethyloctanoic acid 61840 7.8728
4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-,(S)- 158031 4.0344
4H-Pyrrolo[3,2-c]pyridin-4-one,1,5,6,7-tetrahydro-2-[2-(3-quinolinyl)-4-pyridinyl]- 10389239 4.0782
4-Hydroxy-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl 6-deoxy-2-O-((2Z)-2-methylbut-2-enoyl)hexopyranoside 45783104 5.1468
4-Hydroxy-3-methoxyphenylacetic acid 1738 3.0707
4-Hydroxybenzaldehyde 126 2.954
4-Hydroxybenzoic Acid 135 4.0277
4-Hydroxycyclohexylcarboxylic acid 151138 1.824
4-Hydroxymandelonitrile 166768 4.3313
4-Hydroxyphenylacetic acid 127 3.1199
4-Hydroxyphenylacetylglutamic acid 440731 5.8415
4'-hydroxytrazodone 46781917 4.3725
[(4-Methoxybenzyl)sulfanyl]acetic acid 958072 2.3308
4-Methoxyphenylacetic acid 7690 3.9347
4-Methyl-2-methylene-1-(1methylethylidene)-cyclohexane 564779 3.0851
4-Methylvaleric Acid 12587 5.2985
4-Nitrobiphenyl 7114 5.3345
4-Nitro-N-(2-pyrimidinyl)benzenesulfonamide 717942 1.824
4-Oxatetradecanoic acid 1754 8.0099
4-Oxododecanedioic acid 13213508 3.527
4-Phenyl-1H-pyrazol-3-ylamine 79703 1.5035
(4R,12bS)-7,9-dimethoxy-3-methyl-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium 25244675 0.7519
(4S,4As,7aS)-4,7-bis(hydroxymethyl)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-3-one 5317525 4.3234
(4S)-6-chloro-8-hydroxy-4-[2-(1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one 16725849 0.9015
5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol 4412255 9.7501
5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-amine 684415 1.3125
5-(3,5-Dinitrophenyl)-1,3,4-thiadiazol-2-amine 3385419 0.772
5-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide 4369536 0.86
{5-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl}oxidanesulfonic acid 131833683 0.7036
5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one 5281605 5.6946
5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocin 10912402 4.6067
5-Aminovaleric Acid 138 4.0033
5-Bromo-3-hydroxy-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one 325504 12.2261
5-Bromo-3-nitropyridine-2-carbonitrile 2769698 4.2754
5-Bromo-4-fluoro-2-nitrobenzaldehyde 11379638 1.2545
5-Bromo-8-quinolinol 70974 0.7375
5-Bromoisatoic anhydride 288561 1.5579
5-Chloro-1,2,4-trihydroxybenzene 189666 1.2497
5-HETrE 1768 9.0938
5-Hydroxyfluvastatin 124518231 1.1272
5-Hydroxyhexanoic Acid 170748 2.422
5-Hydroxyindole-3-Acetic Acid 1826 3.5339
[(5-Mercapto-1,3,4-thiadiazol-2-yl)thio]acetic acid 1714399 12.2842
5-Methoxyindole-3-acetic acid 18986 4.0824
5-Methyl-1,3-benzothiazol-2-amine 26889 1.1317
5-(Methylthio)-1-phenyl-1H-tetrazole 285118 0.7603
5-O-Feruloylnigrumin 131752443 5.1366
5-O-p-Coumaroylquinic acid 9945785 4.2829
(5Z)-5-{[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione 11630874 0.6841
5(Z),8(Z),11(Z)-Eicosatrienoic Acid-d6 8.7863
6,10,14-Trimethyl-2-methylenepentadecanal 23286475 7.0828
6-(3-Chloro-4-methylanilino)-2,4(1H,3H)-pyrimidinedione 775022 1.1845
6-{[6-(2-carboxyethyl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 131835029 6.8663
6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium 5315162 3.3276
6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine 22641 6.0518
6,8a-Seco-6,8a-deoxy-5-oxoavermectin''1b'' aglycone 5282007 7.0911
6-Acetylpicropolin 441997 1.1258
6-Bromo-2-chloroquinoline-3-carboxaldehyde 11437167 2.4137
6-Bromo-2-phenyl-4-quinolinecarboxylic acid 208775 4.9943
6-Bromo-2-(thiophen-2-yl)quinoline-4-carboxylic acid 755656 5.3375
6-Bromo-4-chloro-2-phenylquinoline 17039659 5.0655
6-Chlorocatechin 22297292 0.8911
6-Chloroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde 329950 1.7326
6-Chloropurine Nucleoside 221074 5.322
6-Chloropyridazine-3-sulfonyl fluoride 10750417 0.7394
(6-Fluoro-1H-benzimidazol-2-yl)methanol 16767387 4.2833
6H-Indolo[2,3-b]quinoline 67484 4.9464
{6-hydroxy-3-[3-(3-hydroxyphenyl)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl}oxidanesulfonic acid 131832517 0.7044
6-Methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione 6097374 2.314
6'-Oxogentamicin X2 121231426 8.6221
6-(Trifluoromethyl)nicotinonitrile 2777554 0.9177
[(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate 46906034 6.1067
7-(2-Thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid 4773601 0.7644
7,8-Dihydro-7,8-dihydroxykynurenate 439458 2.2807
7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione 6759 3.1721
7-Acetylbaccatin III 15450031 4.7331
7alpha,12beta-Dihydroxy-5alpha-cholan-24-oic acid 5283842 8.1216
7alpha-hydroxy-3-oxochol-4-en-24-oic Acid 193493 7.8013
7-Bromo-5-fluoro-1H-indole-2,3-dione 2342117 1.5577
7-chloro-2-(3,4-dimethoxyphenyl)-8-hydroxy-3,5,6-trimethoxy-4H-chromen-4-one 131839330 0.8433
7-Hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one 5322368 1.3044
7-Ketodeoxycholic acid 188292 6.319
7-ketolithocholic acid 20763 7.6566
7-Methoxy-4-(trifluoromethyl)coumarin 688586 4.3235
7-Methylrosmanol 455262 7.3177
7-Sulfocholic acid 459070 5.6758
7-tert-Butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dithione 3715065 12.1513
{8-[2-(acetyloxy)propan-2-yl]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl}oxidanesulfonic acid 131835387 0.7037
8-(3-Octyl-2-oxiranyl)octanoic acid 15868 9.2599
8-Amino-7-oxononanoic acid 173 4.333
8-Cyclopentyl-1,3-dimethylxanthine 1917 3.4938
[8]-Dehydrogingerdione 131752598 4.2401
8-Hydroxyquinoline 1923 3.527
8-iso Prostaglandin E2 5283213 5.5044
9,10,11,12-Tetrahydro-9,12-epoxy-1H-diindolo[1,2,3-fg 3387354 4.0378
9,10,13-TriHOME 5282965 5.8955
9,10-Dihydroergocornine methanesulfonate 168870 4.717
9,10-Dihydroxystearate 89377 8.3596
9,10-EpOME 9.6421
9(10H)-Acridinone,1,4,5-trihydroxy-3,6-dimethoxy-10-methyl- 5320991 4.9612
9-(Methylthio)nonanenitrile 93987 4.338
9(S),12(S),13(S)-TriHOME 5.8846
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid 5281117 8.8941
(+)-Abscisic Acid 30583 6.4836
Acetic acid 176 12.1097
Acetylsalicylic acid 2244 6.691
Acetylvaline 66789 2.0316
Ac-Ser-Asp-Lys-Pro-OH 65938 4.8899
Actara 5821911 1.7326
Acylated phloroglucinol 5.8672
Ac-Yvad-cho 5311139 8.3043
Adenosine-5'-phosphosulfate 10238 4.9196
Adipic Acid 196 2.4137
Adouetine X 5281577 8.3626
Aflatoxin B1 14403 2.961
Aflatoxin G2 23670 1.3003
Ajugalactone 181744 6.7757
Ala-Ala-Gln-Asn-Leu 8.6886
Ala-Ala-Pro-Val-chloromethylketone 7408221 0.8347
Ala-Asp-Arg-Arg 8.6871
Ala-Asp-Ile 1.1258
Allocholic acid 160636 9.2763
Allysine 207 1.1342
alpha-Muricholic acid 5283852 6.1719
Aminodiphenylacetic acid 18289 3.5332
Aminoguanidine 2146 2.3888
Amsacrine 2179 4.0339
Anchusin 5208 3.993
ANISODAMINE 2198 1.1314
Apocholic acid 101818 7.2412
Ardisianone 442721 5.4802
Arg-Asn-Gln-Glu 3.5104
Arg-Glu-Asp-Arg 12.1014
Arg-Gly-Glu-Val-Leu 9.3596
Arg-Met-Lys 18218831 4.8191
Asiatic acid 119034 8.2248
Asn-Asp-Glu-Arg 4.3115
Asn-Glu-Ile 6.3993
Asn-His-OH 18218181 1.2043
Asn-Pro-Asp 3.2528
Asn-Thr-Gln-Glu 7.6647
Asparagusic acid syn-S-oxide 6451512 0.7039
Asp-Asp-Glu 4.8724
Asp-Gly-Lys 14704057 0.803
Asp-Phe-Ser-Arg 6.2419
Asp-Tyr-Ile-Glu 8.2974
Atipamezole hydrochloride 13649426 0.8566
Atrolactic acid 1303 3.9424
Austalide I 131750972 5.8343
Azelaic acid 2266 4.4208
Benazepril hydrochloride 5362123 4.9053
Bendiocarb 2314 2.5173
Benzhydrol 7037 3.0368
Benzofuran 9223 2.2808
Benzoic Acid 243 2.5549
Benzoylagmatine 439689 2.1977
Benzoyl chloride 7412 0.1529
beta-Alanine,N-[2-[(3-hexylphenyl)amino]-2-oxoethyl]- 24905345 5.505
Bis(2-butoxyethyl) phthalate 8345 4.631
Bis(2-ethylhexyl) phthalate 8343 7.6573
Bis(4-fluorophenyl)methanone 9582 4.607
Bis-D-fructose 2',1:2,1'-dianhydride 107415 1.1316
Bisphenol A glycidylmethacrylate 15284 6.4419
Boc-DArg-Gly-Arg-CHO 6.8932
Brimonidine 2435 4.9738
Bromodeoxyuridine (BrdU) 236184 0.8964
Bromothymol blue 6450 0.7104
Bropirimine 135413497 1.5575
Bufotalin 12302120 4.8598
Buprenorphine 644073 9.0966
butanedioate 160419 1.2566
Butylalphaman 656941 4.457
Byssochlamic acid 164723 3.4461
Cabergoline 54746 5.0842
Cabozantinib (XL184,BMS-907351) 25102847 9.2763
Caffeic acid 3-glucoside 5281759 3.5436
Calcium carbimide 9.8498
Calcium Dobesilate 29963 12.1845
Camphoric acid 21491 4.7318
Camptothecin 24360 4.0263
Carbobenzyloxyglycyl-L-norleucine methyl ester 4.1252
Carboxycelecoxib 10047220 3.6012
Carfentrazone-ethyl 86222 3.2528
Caribenolide I 56928151 4.7659
Ceanothine B 5281585 7.5852
Celastrol 122724 6.4267
Chaksine 135438603 7.6638
Chamazulene 10719 0.7911
Chenodeoxycholic acid 10133 7.083
Chenodeoxycholic acid sulfate 21252308 7.005
Chloramphenicol sodium succinate 656833 0.7104
Chlorophacinone 19402 0.7519
Cholic acid 221493 6.167
Cholic acid methyl ester 10960835 6.6098
Chrysanthemic acid 2743 5.7437
Cinnamic Acid 444539 3.66
cis-(Homo)3-aconitate 25244229 2.9599
cis-Pinonic acid 10130 5.0422
Citalopram 2771 3.6723
Clavamycin B 46173890 3.635
Clopyralid 15553 13.8545
Combrestatin A4 5351344 4.2827
Convallagenin A 441880 7.7979
Coprine 108079 0.8389
Cortexolone 440707 3.2937
Costatol 21630814 12.2344
Curtisian O 10365840 3.1698
Cyclamic acid 7533 2.746
Cyclohexanone 7967 3.0795
Cyclopassifloic acid B 21606649 8.022
Cys-Leu-Thr 4.7302
Cys-Pro 3037777 8.6882
Cytochalasin Opho 6442846 8.0215
Dapiprazole 3033538 6.9912
Dapsone hydroxylamine 65387 2.7959
D-Arabinono-1,4-lactone 17723 1.1281
D-Calcium Pantothenate 443753 2.0647
Debromoaplysiatoxin 440576 7.1458
Dehydro-L-(+)-ascorbic acid dimer 4613280 3.0368
Dehydrolithocholic acid 5283906 9.9329
Demethyldecarbamoylnovobiocin 54691349 6.8812
Deoxycholic acid 222528 8.2961
Deoxysappanone B 7,3'-dimethyl ether 16667741 5.1263
Dermatan 4-Sulphate 72682693 7.5572
Desethyleneciprofloxacin 37888344 1.1259
Desipramine Hydrochloride 65327 4.2249
[Des-Tyr1] beta-Casomorphin,bovine 5.8809
D-Glucuronolactone 1.198
Diacetyl-10-gingerdiol 6.566
diaminomethylidene-[4-[[5-[(E)-3-[4-(diaminomethylideneazaniumyl)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]butyl]azanium 46173494 6.4662
Dibenzyl Trisulfide 122842 5.3372
Dibutyl adipate 7784 7.0415
Didecyl hydrogen phosphate 82260 5.7116
Diethyl (4-chlorophenyl)(hydroxy)methylphosphonate 89363 3.9431
Dihydrocelastryl diacetate 6708713 9.3759
Dihydrocitronellal 5463910 6.4019
Dihydroconiferyl alcohol 16822 3.7099
Dimepranol 135398641 1.3005
Dimethyl azelate 15612 5.7676
Diminazene Aceturate 5284544 3.9988
Dinitramine 34468 1.1476
Dinoprost tromethamine 5282415 8.3662
Dipropyl hexanedioate 7790 6.0528
DL-2-Hydroxystearic acid 69417 9.8498
DL-b-Hydroxycaprylic acid 26613 4.5848
DL-Citrulline 833 5.7386
DL-Indole-3-lactic acid 92904 4.0838
DL-Lysine 866 0.7832
D-Mannose 18950 0.7522
Dobutamine 36811 3.8682
Dodecamethylpentasiloxane 8853 3.2523
Dodecanedioic Aicd 6.0528
Donepezil HCl 5741 4.4539
Doxapram 3156 6.2097
D-Quinovose 439746 12.1513
D-Xylono-1,4-lactone 439799 3.0368
(E)-4-Methyl-N-[(3S,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pent-2-enamide 641802 7.5819
Ecdysone 19212 6.799
Echinorine 442898 1.8821
Elephantoin 73409 4.0631
Embelin 3218 7.1829
Enalapril 5388962 6.4695
Encenicline 46196517 3.037
Endothal dimethyl ester 593239 2.4054
Enterodiol 115089 4.9194
Epigallocatechin 72277 3.2669
epsilon-Rhodomycinone 99207 4.866
Eremopetasidione 10354107 4.4851
Erythrose 94176 0.7065
Esculetin 5281416 6.691
Estradiol acetate 9818306 4.3831
Ethidimuron 91596 0.7402
Ethyl 2,4-dioxohexanoate 61590 3.527
Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate 334460 2.1478
Ethyl 3-sulfamoylbenzoate 108837 0.7439
Ethyl 6,7-dichloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate 6320212 0.7049
Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 296187 3.1532
Ethyl 7-bromo-4-oxo-1,4-dihydro-3-quinolinecarboxylate 683685 1.8158
Ethyl furoate 11980 1.1972
Ethyl levulinate 10883 2.5632
Ethylmalonate 11756 1.7326
FAA(17:1) 9.9329
FAA(18:1) 11.7358
Febantel 135449328 0.8058
Fenazaquin 86356 0.8251
Fenoldopam 3341 5.1343
Fenothiocarb sulfoxide 59771 0.753
Fenpropathrin 47326 3.6766
FFA(12:0) 9.5673
FFA(14:0) 10.6225
FFA(18:0) 10.5893
FFA(18:1) 12.1097
FFA(18:2) 11.0462
FFA(18:3) 10.5062
Firefly luciferin 92934 4.4128
Flavidulol C 131752564 7.0573
Floctafenine 3360 4.0778
Flunarizine 941361 9.8498
Fonsecin 216328 4.8668
Foridinine 10685701 4.7944
Frangulin B 4483894 5.8887
Fusaproliferin 6506535 6.6332
Gaboxadol 3448 1.2468
gamma-Muricholic acid 92805 6.894
Ganoderol A 13934284 8.3543
Gentian Violet 3468 10.0908
GlcNAc1-3Gal1-4GlcNAcSp 4.7393
Gln-Ile-Ile 3.2772
Glu-Lys-Leu-Thr-His 4.7248
Glu-Ser 6995653 3.0281
Glutathione episulfonium ion 159079 3.7947
Glu-Val-Ile-Glu 6.0849
Glycine deoxycholic acid 22833539 6.9661
Glycocholic Acid 10140 6.0113
Glycolaldehyde 756 0.7893
Glyfoline 5480208 5.8417
Gly-Leu-Arg 15613528 11.7192
Gly-Norvaline 86841 2.6087
Gly-Pro-Glu 3080768 1.1365
Guanosine 135398635 1.3305
Helicin 101799 3.1865
Hemibrevetoxin B 6442821 6.8366
Hendecanoic Acid/Undecanoic Acid(C11:0) 8180 8.4573
Hercynine 440727 3.9014
Hexadecanedioic acid 10459 5.4966
His-Gln-Val-Lys 12.1097
His-Leu-Thr-Lys 8.8282
Histamine dihydrochloride 5818 0.699
Histidinyl-Histidine 101638 4.1672
HSO3- 1.1226
Hydralazine 3637 3.5833
Hydrocinnamic Acid 107 5.3313
Hydrocortisone 5754 3.1275
hydrogen sulfite 104748 12.7079
Hydroxyatrazine 135398733 7.3571
[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate 23657868 2.0399
Hymenoxon 42295 3.3519
Hyodeoxycholic acid 6747 7.5064
Hypoxanthine 135398638 1.1325
Icaceine 441738 7.585
Ile-Arg-Asn-Asp 5.447
Ile-Asp-Tyr-Lys 8.3543
Ile-HoPhe-OH 7019083 6.8082
Ile-Phe-Asp-Arg 4.7317
Ile-Val-Lys-Trp-Asp 7.1496
Imiprothrin 123622 4.6151
Indole 798 3.0852
Indole-2-carboxylic acid 72899 2.962
INDOLE-3-ACETATE 801 4.0825
Indole-3-carbinol 3712 3.527
Indole-3-carboxylic acid 69867 4.078
Indole-3-lactic acid 92904 4.0837
Indole-4-carboxaldehyde 333703 4.0839
Indoleacetaldehyde 800 4.0837
Indomethacin N-octyl amide 9825900 6.2905
Inosine 135398641 1.3003
Iprodione 37517 0.7603
Isobutyl salicylate 6873 5.0627
Isochromophilone IV 6451122 0.7221
Isodeoxycholic acid 164672 7.5528
Isodonal 442047 4.9157
Isoproterenol sulfate dihydrate 8239 7.4831
Isosakuranetin 160481 7.0004
Isovaleric acid 10430 4.1284
Jamaicamide B 49787032 4.458
keratan sulfate I 5087 4.0013
Kuraridinol 5318880 11.0546
Kurarinol 44563198 5.6428
L-2-amino-6-oximelic acid 0.8713
Lappaol C 46173978 7.6564
L-Asparagine Anhydrous 6267 0.8001
Latanoprost-d4 9.2766
Lenacil 16559 3.3193
Leu-Asn-Arg-Glu 7.1738
Leu-Glu-Ile-Glu 8.1549
Leu-Ile-Ser-Glu 6.1953
Leu-Leu-Leu-Ala-Ala 8.3626
Leu-Phe-Ala-Glu 8.6907
Leu-Thr-Ser-Lys-Tyr 5.9516
L-Homoarginine 9085 4.982
Licoriisoflavan A 196831 7.7397
l-Isoleucine 6306 1.2006
Lithocholic acid 9903 9.7501
L-Leucyl-L-Alanine 81721 1.3421
L-Norleucine 21236 0.9763
Loganic acid 89640 5.8421
Lolitriol 72734303 7.1664
Loperamide 3955 9.7501
Lovastatin hydroxy acid 64727 8.4789
Loxoprofen 3965 4.8794
LPC(0:0/18:2) 8.3187
LPE(16:0/0:0) 9547069 8.6876
LPE(16:1/0:0) 52925129 7.9474
LPE(18:1/0:0) 9547071 8.9775
L-Phenylalanine 6140 1.8182
L-Pyroglutamic acid 7405 0.8724
L-Rhamnose 25310 0.7462
L-Stercobilinogen 440783 7.1536
L-Tryptophan 1148 2.3888
Lucidenic acid D1 14109376 6.516
Lucidenic acid K 131751879 6.2063
Luciferyl sulfate 11953812 4.0762
Lys-Lys-OH 128837 11.7192
Lysopc 16:0 460602 8.7784
Lys-Ser-Thr-Leu-Thr 4.7309
Lys-Tyr-Ile-Glu 7.1662
Macrocarpal B 454458 7.2472
Malathion monocarboxylic acid 3032927 0.7253
Matteucinol 160490 5.1284
Meclofenoxate 4039 2.063
Melithiazole E 5470965 4.0218
Mequitazine 4066 3.6766
Merazolam 1032812 12.1014
Metalaxyl 42586 6.0528
Metaldehyde 61021 1.5495
Metformin HCl 14219 1.8238
Methanedithiol 138818 12.3922
Methazolamide 4100 12.2012
Methoxyflurane 4116 12.0931
Methyl 1-piperazinecarboxylate 142729 2.4968
Methyl 2-[(1R,2S,5R,6R,13S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate 21596309 6.7189
Methyl 2-{[(4-methoxyphenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate 718807 6.054
Methyl 2-bromobenzo[d]thiazole-6-carboxylate 46911877 2.4193
Methyl 5-[(2,4-dichlorophenoxy)methyl]-2-furoate 919751 0.8946
Methyl 5-bromo-3-pyrrolecarboxylate 23271158 12.3008
Methyl 8-bromo-6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate 46738864 3.768
Methyl(9Z)-8'-oxo-6,8'-diapo-6-carotenoate 11046403 4.4542
Methyl cellulose 51063134 7.9883
Methyl Indole-3-Acetate 3.0867
Methylphosphate 13130 12.3008
Methylthiouracil 667493 0.7047
Metsulfovax 88916 5.3375
Mevalonic acid 5-pyrophosphate 22833574 2.0647
Midodrine 4195 2.2322
Milameline 9571002 2.206
Miserotoxin 107795 1.7158
Mitraphyllic acid 193449 4.6724
Moclobemide 4235 6.0473
Monohydroxyperhexiline 46781856 9.293
Monoolein 5283468 11.0546
Monuron 8800 4.4128
Morphiceptin 119303 8.1549
Mycocyclosin 59053147 4.4532
N-1,3-Benzothiazol-2-yl-3-oxobutanamide 20820 3.1203
N-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(p-tolyl)methanesulfonamide 40889570 2.4802
N-(1-Naphthyl)ethylenediamine 15107 3.0894
N-[1-Oxo-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propyl]glycine 1841495 0.8484
N-[2-(4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]naphthalene-2-carboxamide 25105715 7.2576
N-(2-aminoethyl)-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide 71433884 4.2825
N2-Benzyl-N4-cyclohexyl-6-methyl-2,4-pyrimidinediamine 697226 4.9212
N-(2-Chloro-5-nitrophenyl)acetamide 77651 4.4081
N-(2-Methoxyphenyl)-2-pyridinecarbimidothioic acid 911664 1.1342
N-(2-Phenylethyl)-N'-(2-pyridinyl)thiourea 799959 1.1298
N3'-Acetylneomycin 439792 7.1722
N-(3-Bromo-4-chlorophenyl)-2-(4-ethylphenoxy)acetamide 1331312 3.527
N-(3-Bromophenyl)-7H-purin-6-amine 9814520 4.7318
N-(3-Bromophenyl)cyclohexanecarboxamide 849114 2.3311
N4-(3-Bromophenyl)quinazoline-4,6-diamine 5328042 0.8864
N-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-2-chloroacetamide 791103 2.9572
N-{4-[Acetyl(methyl)amino]phenyl}-2-chloroacetamide 310167 6.6867
N-(4-Methoxyphenyl)-2-nitro-1-benzothiophen-3-amine 3073479 0.8442
N-[(4-Methylphenyl)sulfonyl]benzencarbothioamide 677607 0.7399
N-(4-Methylsulphonyl-3-nitrophenyl)piperazine 53393429 0.8069
N-[5-(4-Nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide 537952 1.8156
N-(5-Chloro-2-phenoxyphenyl)thiophene-2-sulfonamide 1285134 0.7104
n5-Iminoethyl-l-ornithine 107984 5.355
N-(5-Methyl-2-pyridinyl)-N'-(2-phenylethyl)thiourea 971434 1.1428
N6-Carbamoyl-DL-Lysine 231356 2.3638
N6-Methyladenine 67955 4.9087
N'-Acetyl-4-bromobenzohydrazide 99357 0.7462
N-Acetylaspartate 65065 0.8464
N-Acetyl-D-fucosamine 11954186 0.8492
N-Acetyl-D-Glucosamine 439174 0.8257
N-Acetyl-DL-glutamic acid 185 1.1314
N-Acetylprocainamide 4342 4.5013
N-acetyl-S-geranylgeranyl-L-Cysteine 11575713 8.3184
N-Allyl-N'-(3-chlorophenyl)thiourea 1550877 0.8551
Neamine 72392 4.5995
Neferin 159654 7.1446
Nefiracetam 71157 4.6311
Nefopam 4450 0.8373
Neurosporaxanthin 637039 6.6916
Nevirapine 4463 4.3818
N-Heptanoylhomoserine lactone 443437 4.486
N-hydroxy-9-methylsulfanylnonanethioamide 44237117 0.8491
Nicotinate 937 1.1317
Nitazoxanide 41684 12.1596
Nitroarginine 440005 3.8579
Nitrogen chloride (NCl3) 12.3756
N,N-Dimethyl-4-(6-methylbenzo[d]thiazol-2-yl)aniline 82450 0.8517
N,N-Dimethylarginine 123831 4.0387
N-Nitrosomethylvinylamine 20678 4.4989
Norambreinolide 61129 9.6338
Nordihydroguaiaretic acid 4534 3.6766
Nor-ketotifen 9904236 1.2989
N-(p-Hydroxyphenethyl)actinidine 442550 4.3742
N-Stearoyltaurine 168274 8.331
(N-Sulfoindol-3-yl)methylglucosinolate 6602379 0.7104
O-Acetyl-L-homoserine 439389 1.1341
o-Chloroacetanilide 10777 12.2178
Octyl alpha-ketoglutarate 11615849 2.3721
Orotidylic acid 160617 12.1014
Orphenadrine Citrate 83823 0.8386
Ortophosphate 13.921
Ovalicin 284995 4.4289
Oxibendazole 4622 0.8016
Oxyfluorfen 39327 0.7387
Oxymetazoline hydrochloride 66259 3.9046
Oxypyrithiamine 5460093 2.4635
Palmitic acid 985 11.5614
Palmitic acid alkyne 127256 3.9594
Palmitoleic acid 445638 10.8302
Pantothenic acid 988 2.0647
Paramethadione 8280 0.8121
Paspaline B 10342949 7.478
P-chlorophenylalanine 4652 2.4386
PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 53481755 8.3543
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 9546865 7.5739
Pentadecafluorooctanoic Acid 9554 0.7792
Pentadecanoic acid 13849 10.9632
PG(18:1(9Z)/0:0) 9547135 8.238
PGF2 Alcohol methyl ether 5283074 10.3982
Phe-Ala-Thr-Asp-Asp 8.1549
Phe-Arg 150903 1.1262
Phe-Ile-Asp-Leu-Asn 4.8264
Phenol glucuronide 87235 2.1477
(Phenoxymethyl)penicilloic acid 96439 3.2196
Phenyl 1-piperidinecarboxylate 283449 5.7465
Phenylacetic acid 999 3.0703
Phe-Trp-Trp 8.1549
Phosalone 4793 3.7098
phosphono dihydrogen phosphate 1023 12.2842
Phosphoric acid 1.4242
p-Hydroxybenzyldesulphoglucosinolate 46173871 0.795
P-Hydroxyphenylacetylglycine 440732 2.8296
Picoxystrobin 11285653 1.1332
Picrocrocin 130796 2.5965
Pimelic acid 385 2.7958
Pinoresinol 73399 3.3775
Piperacillin 43672 7.5517
Pivalic acid 6417 1.0894
p-Methoxytodadiol 129913 2.314
Polydatin 5281718 4.6723
Polythiazide 4870 4.8659
Pomalidomide 134780 0.7821
Prazosin 4893 9.8498
Prednisolone 5755 7.0347
Pregnanolone Sulphate 44322229 6.6205
Pro-Pro-Ala-Ala-Ile 5.6453
Propylene glycol 1030 1.1288
Psychotrine 3496498 6.4246
Pteridine 1043 2.0399
Purine 1044 4.2836
Pyrazino[1',2' 10322450 3.7597
Pyrenophorol 24871236 3.7763
Pyrithione zinc 26041 3.527
PyroGlu-Met-Arg 0.8453
Pyrrhoxanthinol 134741793 5.9274
Pyrrolidine 31268 3.3692
Quinidine 1065 4.2083
Quinoxaline 7045 0.8351
(R)-10-Hydroxystearate 12520 9.8498
Reproterol 25654 1.1494
Retamine 442962 3.9515
Retinoyl beta-glucuronide 5281877 4.385
Rhodinyl propionate 7781 9.0357
Ribociclib (LEE011) 44631912 9.2758
(-)-Riboflavin 493570 3.1698
Riesling acetal 57473083 5.7897
Rigin 8.8943
Ripazepam 33474 4.687
Rottlerin 5281847 4.9296
(S)-3-Methyl-2-oxopentanoic acid 439286 2.5715
S-Adenosyl-L-Methionine 34755 1.127
Sebacic acid 5192 4.9877
Secoeremopetasitolide B 131753121 5.1971
Selinexor (KPT-330) 71481097 1.8157
Semilepidinoside A 131751375 4.0016
Ser-Arg-Phe-Lys 9.692
Ser-His-Val-Lys 5.8611
Ser-Ile-Phe-Glu 7.0085
Ser-Leu-Ser-Gly-Leu 7.6569
Ser-Ser-Gly-Arg-Ser 3.7099
(S)-Glutamic acid 33032 0.7694
Shanzhiside 11948668 5.1232
Simvastatin 54454 7.8973
Slaframine 88363 2.2559
(S)-Malate 222656 0.8417
(S)-O-Desmethyl Naproxen 439163 12.1762
Solasodine 442985 8.778
Sorbitol 6-phosphate 618 0.712
Spectinomycin 15541 4.4133
Sphingosine 1-phosphate 5283560 8.0374
Spongothymidine 65049 1.5828
(S)-Pterosin K 5320787 4.1669
Starch acetate 0.7061
Stebisimine 3083913 7.5567
(-)-Stercobilin 9548572 7.1477
Stercobilin 5280818 4.7302
(S)-tert-Butyl 2-((tosyloxy)methyl)morpholine-4-carboxylate 54043638 4.0823
Subericacid 10457 3.7682
Succinic acid 1.2569
Succinic Acid 1110 1.258
Succinic acid-2,2,3,3-d4 12998487 1.2462
Succinylproline 194156 1.1316
Sucralose 71485 3.4107
Sudan I 13297 3.6267
Sulfate 2.9412
Sulfolithocholic acid 10253562 8.2661
Sulfuric acid 1118 1.1149
Sulpiride 5355 5.1315
Taurochenodesoxycholic Acid 387316 6.7912
Taurolithocholic acid 439763 7.4133
Terephthalic Acid 7489 2.9608
Terpentecin 127568 4.2361
tert-butyl-[(1R)-1-(3-chlorophenyl)-1-hydroxypropan-2-yl]azanium 44229149 4.3636
tert-Butyl 4-(2-chloropyrimidin-4-yl)piperazine-1-carboxylate 11197306 5.8368
Testolactone 13769 6.5748
Tetradecanedioic acid 13185 7.0433
Tetrahca 13991770 6.9779
Tetrahydrodipicolinate 632 1.1232
Tetranor-12(R)-HETE 5423 7.632
tetranor-PGEM-d6 53394374 4.9233
Thapsigargin 446378 7.1495
Thiamine disulfide 3038097 8.3555
Thiobinupharidine 442554 12.1097
Thiodiacetic acid sulfoxide 161772 0.835
Thiosulfate 11.0546
Thiosulfuric acid 12.0682
Thonzylamine 5457 3.2528
Thr-Arg 7016110 4.2831
Thymidine 5789 1.8822
Tingenin B 73147 9.7501
Tivozanib (AV-951) 9911830 4.0759
Tofisopam 5502 4.7885
Tolterodine tartrate 443878 7.6575
Trandolaprilat 5464097 5.2954
trans-4-Hydroxycyclohexanecarboxylic acid 151138 2.5466
Tributyrin 6050 3.8594
Tricarballylic acid 14925 1.198
Trichloroacetic acid 6421 9.7501
Triclopyr 41428 1.7326
Triclopyr-2-butoxy ethyl ester 47455 6.0528
Tridecanoic acid 12530 9.9911
Triethylene glycol diglycidyl ether 16058 3.7514
Triethylene glycol methyl ether methacrylate 90523 3.8761
Trilostane 656583 5.6342
Trimethadione 5576 1.135
Trimethaphan 23576 3.8589
Trimethylenetetraurea 441001 0.8373
Tripelennamine 5587 6.5081
Trp-His-OH 10154381 0.86
TxB3 [9alpha,11,15S-trihydroxythromba-5Z,13E,17Z-trien-1-oic acid] 126350 4.1752
Tyr-Glu-Gln-Asp 8.6889
TyrMe-HoPhe-OH 0.8539
Undecanedioic acid 15816 5.6039
uridine 6029 1.1515
Urobilinogen 26818 7.1822
Urolithin A 5488186 4.9996
Ursocholic acid 122340 5.7664
Ursodeoxycholic Acid 31401 7.0832
Val-Glu-Thr-Glu 9.7501
Valnemulin HCl 60195218 5.8586
Valproic acid beta-D-glucuronide 88111 11.0463
Varanic acid 22833587 6.1064
Verruculogen 13887805 0.8351
Vinpocetine 5673 5.5344
Vinyl chloride 6338 0.1363
Westiellamide 159587 4.74
Xanthine 1188 1.1401
xi-7-Hydroxyhexadecanedioic acid 14259008 5.9766
Zalcitabine 24066 1.3409
Zanubrutinib (BGB-3111) 135565884 4.8717
(Z)-Dimethylvinphos 6433329 4.0838
Zinc lactate 3007856 12.1845
Ziprasidone 60854 5.8414
Zoniporide 6433110 3.7448
Zoxazolamine 6103 0.7591
Zygadenine 442987 5.3017
(å¤)-3-Hydroxynonanoic acid 36599 4.5481
METABOLITES_END
#END