#METABOLOMICS WORKBENCH lizhu_20250211_185027 DATATRACK_ID:5618 STUDY_ID:ST003736 ANALYSIS_ID:AN006130 PROJECT_ID:PR002322
VERSION 1
CREATED_ON 03-03-2025
#PROJECT
PR:PROJECT_TITLE The Chromosome-Scale Assembly and Multi-Omics Analysis Reveal Adaptive Evolution
PR:PROJECT_TITLE and Nitrogen Utilization Mechanisms in Edible Grass (Rumex patientia L.Ã Rumex
PR:PROJECT_TITLE tianschanicus A. LOS)
PR:PROJECT_SUMMARY Edible grass (Rumex patientia L.Ã Rumex tianschanicus A. LOS), a perennial
PR:PROJECT_SUMMARY herbaceous plant from the Polygonaceae family, boasts a high protein content and
PR:PROJECT_SUMMARY rapid growth rate, making it a promising solution to feed shortages as a forage
PR:PROJECT_SUMMARY protein source. In this study, we utilized the PacBio sequencing platform and
PR:PROJECT_SUMMARY integrated methods including Hi-C to achieve a chromosomal-scale assembly of the
PR:PROJECT_SUMMARY R. patientia genome. The assembled genome spans 2.19 Gb with an N50 of 18.84 Mb,
PR:PROJECT_SUMMARY and 93.61% (2.05 Gb) of the assembly has been allocated to 30 pseudochromosomes.
PR:PROJECT_SUMMARY Comparative genomic analysis has revealed significant expansion of gene families
PR:PROJECT_SUMMARY involved in nitrogen metabolism and D-glutamine and D-glutamate metabolism
PR:PROJECT_SUMMARY pathways, which are responsible for the plant's strong nitrogen utilization
PR:PROJECT_SUMMARY capabilities and high protein content. Additionally, expansions in gene families
PR:PROJECT_SUMMARY associated with the Wnt signaling pathway, ubiquitin-mediated proteolysis, Toll
PR:PROJECT_SUMMARY and Imd signaling pathways, TGF-β signaling pathway, protein processing in the
PR:PROJECT_SUMMARY endoplasmic reticulum, photosynthesis-antenna proteins, circadian rhythm, and
PR:PROJECT_SUMMARY cell cycle pathways are closely related to the rapid growth and development of
PR:PROJECT_SUMMARY R. patientia. We have also identified the rhizosphere microbiome of R. patientia
PR:PROJECT_SUMMARY and, by integrating metabolomic data from root tissues and soil, found that
PR:PROJECT_SUMMARY during rapid growth phases, the plant secretes various apigenin-like compounds
PR:PROJECT_SUMMARY into the soil, enhancing the symbiotic nitrogen-fixing capabilities and
PR:PROJECT_SUMMARY potentially providing nitrogen sources to the leaves through symbiotic nitrogen
PR:PROJECT_SUMMARY fixation. Our research provides crucial insights into the genetic basis of R.
PR:PROJECT_SUMMARY patientia 's utility as a forage protein source.
PR:INSTITUTE Hunan Agricultural University
PR:LAST_NAME li
PR:FIRST_NAME zhu
PR:ADDRESS 1 Nongda Road, Changsha City, Hunan Province, Changsha, Hunan, 410128, China
PR:EMAIL lizhu@stu.hunau.edu.cn
PR:PHONE 15211045071
PR:DOI http://dx.doi.org/10.21228/M8GV64
#STUDY
ST:STUDY_TITLE The Chromosome-Scale Assembly and Multi-Omics Analysis Reveal Adaptive Evolution
ST:STUDY_TITLE and Nitrogen Utilization Mechanisms in Edible Grass (Rumex patientia L.Ã Rumex
ST:STUDY_TITLE tianschanicus A. LOS)
ST:STUDY_SUMMARY Edible grass (Rumex patientia L.Ã Rumex tianschanicus A. LOS), a perennial
ST:STUDY_SUMMARY herbaceous plant from the Polygonaceae family, boasts a high protein content and
ST:STUDY_SUMMARY rapid growth rate, making it a promising solution to feed shortages as a forage
ST:STUDY_SUMMARY protein source. In this study, we utilized the PacBio sequencing platform and
ST:STUDY_SUMMARY integrated methods including Hi-C to achieve a chromosomal-scale assembly of the
ST:STUDY_SUMMARY R. patientia genome. The assembled genome spans 2.19 Gb with an N50 of 18.84 Mb,
ST:STUDY_SUMMARY and 93.61% (2.05 Gb) of the assembly has been allocated to 30 pseudochromosomes.
ST:STUDY_SUMMARY Comparative genomic analysis has revealed significant expansion of gene families
ST:STUDY_SUMMARY involved in nitrogen metabolism and D-glutamine and D-glutamate metabolism
ST:STUDY_SUMMARY pathways, which are responsible for the plant's strong nitrogen utilization
ST:STUDY_SUMMARY capabilities and high protein content. Additionally, expansions in gene families
ST:STUDY_SUMMARY associated with the Wnt signaling pathway, ubiquitin-mediated proteolysis, Toll
ST:STUDY_SUMMARY and Imd signaling pathways, TGF-β signaling pathway, protein processing in the
ST:STUDY_SUMMARY endoplasmic reticulum, photosynthesis-antenna proteins, circadian rhythm, and
ST:STUDY_SUMMARY cell cycle pathways are closely related to the rapid growth and development of
ST:STUDY_SUMMARY R. patientia. We have also identified the rhizosphere microbiome of R. patientia
ST:STUDY_SUMMARY and, by integrating metabolomic data from root tissues and soil, found that
ST:STUDY_SUMMARY during rapid growth phases, the plant secretes various apigenin-like compounds
ST:STUDY_SUMMARY into the soil, enhancing the symbiotic nitrogen-fixing capabilities and
ST:STUDY_SUMMARY potentially providing nitrogen sources to the leaves through symbiotic nitrogen
ST:STUDY_SUMMARY fixation. Our research provides crucial insights into the genetic basis of R.
ST:STUDY_SUMMARY patientia 's utility as a forage protein source.
ST:INSTITUTE Hunan Agricultural University
ST:LAST_NAME li
ST:FIRST_NAME zhu
ST:ADDRESS 1 Nongda Road, Changsha City, Hunan Province, Changsha, Hunan, 410128, China
ST:EMAIL lizhu@stu.hunau.edu.cn
ST:PHONE 15211045071
ST:SUBMIT_DATE 2025-02-11
#SUBJECT
SU:SUBJECT_TYPE Plant
SU:SUBJECT_SPECIES Rumex patientia L.Ã Rumex tianschanicus A. LOS
SU:TAXONOMY_ID 3143261
#SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS - T-G3-1 Sample date:3 day | Sample source:Rhizosphere soil | Group:T-G3 RAW_FILE_NAME(Raw file name)=T2306067a_P.wiff; RAW_FILE_NAME(Raw file name)=T2306067a_N.wiff
SUBJECT_SAMPLE_FACTORS - T-G3-2 Sample date:3 day | Sample source:Rhizosphere soil | Group:T-G3 RAW_FILE_NAME(Raw file name)=T2306068a_P.wiff; RAW_FILE_NAME(Raw file name)=T2306068a_N.wiff
SUBJECT_SAMPLE_FACTORS - T-G3-3 Sample date:3 day | Sample source:Rhizosphere soil | Group:T-G3 RAW_FILE_NAME(Raw file name)=T2306069a_P.wiff; RAW_FILE_NAME(Raw file name)=T2306069a_N.wiff
SUBJECT_SAMPLE_FACTORS - T-G3-4 Sample date:3 day | Sample source:Rhizosphere soil | Group:T-G3 RAW_FILE_NAME(Raw file name)=T2306070a_P.wiff; RAW_FILE_NAME(Raw file name)=T2306070a_N.wiff
SUBJECT_SAMPLE_FACTORS - T-G3-5 Sample date:3 day | Sample source:Rhizosphere soil | Group:T-G3 RAW_FILE_NAME(Raw file name)=T2306071a_P.wiff; RAW_FILE_NAME(Raw file name)=T2306071a_N.wiff
SUBJECT_SAMPLE_FACTORS - T-G3-6 Sample date:3 day | Sample source:Rhizosphere soil | Group:T-G3 RAW_FILE_NAME(Raw file name)=T2306072a_P.wiff; RAW_FILE_NAME(Raw file name)=T2306072a_N.wiff
SUBJECT_SAMPLE_FACTORS - T-G9-1 Sample date:9 day | Sample source:Rhizosphere soil | Group:T-G9 RAW_FILE_NAME(Raw file name)=T2306073a_P.wiff; RAW_FILE_NAME(Raw file name)=T2306073a_N.wiff
SUBJECT_SAMPLE_FACTORS - T-G9-2 Sample date:9 day | Sample source:Rhizosphere soil | Group:T-G9 RAW_FILE_NAME(Raw file name)=T2306074a_P.wiff; RAW_FILE_NAME(Raw file name)=T2306074a_N.wiff
SUBJECT_SAMPLE_FACTORS - T-G9-3 Sample date:9 day | Sample source:Rhizosphere soil | Group:T-G9 RAW_FILE_NAME(Raw file name)=T2306075a_P.wiff; RAW_FILE_NAME(Raw file name)=T2306075a_N.wiff
SUBJECT_SAMPLE_FACTORS - T-G9-4 Sample date:9 day | Sample source:Rhizosphere soil | Group:T-G9 RAW_FILE_NAME(Raw file name)=T2306076a_P.wiff; RAW_FILE_NAME(Raw file name)=T2306076a_N.wiff
SUBJECT_SAMPLE_FACTORS - T-G9-5 Sample date:9 day | Sample source:Rhizosphere soil | Group:T-G9 RAW_FILE_NAME(Raw file name)=T2306077a_P.wiff; RAW_FILE_NAME(Raw file name)=T2306077a_N.wiff
SUBJECT_SAMPLE_FACTORS - T-G9-6 Sample date:9 day | Sample source:Rhizosphere soil | Group:T-G9 RAW_FILE_NAME(Raw file name)=T2306078a_P.wiff; RAW_FILE_NAME(Raw file name)=T2306078a_N.wiff
#COLLECTION
CO:COLLECTION_SUMMARY All plant materials used in this study were collected and utilized in accordance
CO:COLLECTION_SUMMARY with local, national, and international guidelines and regulations. Necessary
CO:COLLECTION_SUMMARY permissions for sample collection were obtained from relevant authorities, and
CO:COLLECTION_SUMMARY no protected or endangered species were involved in this research. R. patientia
CO:COLLECTION_SUMMARY was cultivated at Hunan Agricultural University, located in Changsha City, Hunan
CO:COLLECTION_SUMMARY Province, for comprehensive molecular profiling. We collected fresh, healthy
CO:COLLECTION_SUMMARY roots and leaves from plants at two distinct growth stages, specifically on the
CO:COLLECTION_SUMMARY 3rd and 9th days after planting, with six biological replicates at each time
CO:COLLECTION_SUMMARY point to ensure statistical robustness.
CO:SAMPLE_TYPE Rhizosphere soil
#TREATMENT
TR:TREATMENT_SUMMARY Immediately post-collection, samples were submerged in liquid nitrogen to halt
TR:TREATMENT_SUMMARY metabolic activities and maintain biochemical integrity. Each sample was
TR:TREATMENT_SUMMARY subsequently finely ground in liquid nitrogen, and the resulting homogenized
TR:TREATMENT_SUMMARY tissue was divided into aliquots: one for RNA extraction, another for protein
TR:TREATMENT_SUMMARY isolation, and additional portions for Untargeted metabolomics analysis. This
TR:TREATMENT_SUMMARY meticulous division guarantees consistent and comparative datasets across
TR:TREATMENT_SUMMARY transcriptomic, proteomic, and metabolomic analyses.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY Take out the sample from the -80°C refrigerator and thaw it on ice. Mix 500 mg
SP:SAMPLEPREP_SUMMARY of the sample and 1000 µL of 70% methanol water internal standard extractant,
SP:SAMPLEPREP_SUMMARY vortex for 3 minutes, then sonicate for 10 minutes in ice water bath, and stand
SP:SAMPLEPREP_SUMMARY still at -20°C for 30 minutes. Centrifuge (12000 rpm, 4°C) for 10 min, and
SP:SAMPLEPREP_SUMMARY transfer 300 µL of the supernatant to a new centrifugal tube. Finally
SP:SAMPLEPREP_SUMMARY centrifuge (12000 rpm, 4°C) for 3 min and take the supernatant for analysis.
SP:SAMPLEPREP_SUMMARY âAll samples were acquired by the LC-MS system followed machine orders. The
SP:SAMPLEPREP_SUMMARY analytical conditions were as follows, UPLC: column, Waters ACQUITY UPLC HSS T3
SP:SAMPLEPREP_SUMMARY C18 (1.8 µm, 2.1 mm*100 mm); column temperature, 40â; flow rate, 0.4 mL/min;
SP:SAMPLEPREP_SUMMARY injection volume, 2 μL; solvent system, water (0.1% formic acid): acetonitrile
SP:SAMPLEPREP_SUMMARY (0.1% formic acid); The column was eluted with 5% mobile phase B (0.1% formic
SP:SAMPLEPREP_SUMMARY acid in acetonitrile) at 0 minute followed by a linear gradient to 90% mobile
SP:SAMPLEPREP_SUMMARY phase B (0.1% formic acid in acetonitrile) over 11 minutes, held for 1 minute,
SP:SAMPLEPREP_SUMMARY and then come back to 5% mobile phase B within 0.1 minute, held for 1.9 minutes.
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME Shimadzu 20AD
CH:COLUMN_NAME Waters ACQUITY UPLC HSS C18 (100 x 2.1 mm, 1.8 µm)
CH:COLUMN_TEMPERATURE 40â
CH:FLOW_GRADIENT 0 - 11 min 95% A (5% B) to 10% A (90% B); 11.0 - 12.0 10% A; at 12.1 min quickly
CH:FLOW_GRADIENT adjusted to 95% A (5% B); 12.1 - 14.0 min 95% A (5% B)
CH:FLOW_RATE 0.40 mL/min
CH:SOLVENT_A 100% Ultrapure water; 0.1% formic acid
CH:SOLVENT_B 100% Acetonitrile; 0.1% formic acid
CH:CHROMATOGRAPHY_TYPE HILIC
#ANALYSIS
AN:ANALYSIS_TYPE MS
#MS
MS:INSTRUMENT_NAME ABI Sciex 6600 TripleTOF
MS:INSTRUMENT_TYPE Triple TOF
MS:MS_TYPE ESI
MS:MS_COMMENTS All samples were acquired by the LC-MS system followed machine orders. The
MS:MS_COMMENTS analytical conditions were as follows, UPLC: column, Waters ACQUITY UPLC HSS T3
MS:MS_COMMENTS C18 (1.8 µm, 2.1 mm*100 mm); column temperature, 40â; flow rate, 0.4 mL/min;
MS:MS_COMMENTS injection volume, 2 μL; solvent system, water (0.1% formic acid): acetonitrile
MS:MS_COMMENTS (0.1% formic acid); The column was eluted with 5% mobile phase B (0.1% formic
MS:MS_COMMENTS acid in acetonitrile) at 0 minute followed by a linear gradient to 90% mobile
MS:MS_COMMENTS phase B (0.1% formic acid in acetonitrile) over 11 minutes, held for 1 minute,
MS:MS_COMMENTS and then come back to 5% mobile phase B within 0.1 minute, held for 1.9 minutes.
MS:ION_MODE POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS µg/g
MS_METABOLITE_DATA_START
Samples T-G3-1 T-G3-2 T-G3-3 T-G3-4 T-G3-5 T-G3-6 T-G9-1 T-G9-2 T-G9-3 T-G9-4 T-G9-5 T-G9-6
Factors Sample date:3 day | Sample source:Rhizosphere soil | Group:T-G3 Sample date:3 day | Sample source:Rhizosphere soil | Group:T-G3 Sample date:3 day | Sample source:Rhizosphere soil | Group:T-G3 Sample date:3 day | Sample source:Rhizosphere soil | Group:T-G3 Sample date:3 day | Sample source:Rhizosphere soil | Group:T-G3 Sample date:3 day | Sample source:Rhizosphere soil | Group:T-G3 Sample date:9 day | Sample source:Rhizosphere soil | Group:T-G9 Sample date:9 day | Sample source:Rhizosphere soil | Group:T-G9 Sample date:9 day | Sample source:Rhizosphere soil | Group:T-G9 Sample date:9 day | Sample source:Rhizosphere soil | Group:T-G9 Sample date:9 day | Sample source:Rhizosphere soil | Group:T-G9 Sample date:9 day | Sample source:Rhizosphere soil | Group:T-G9
10_11-Dihydroxy-9-(hydroxymethyl)-2_2_6a_6b_9_12a-hexamethyl-1_3_4_5_6_6a_7_8_8a_10_11_12_13_14b-tetradecahydropicene-4a-carboxylic acid 3592.2800 2433.4800 3135.7200 4607.7400 7765.0100 4960.9800 2147.1900 2881.4900 1593.2700 1338.0400 1763.1300 1217.9500
10E_12Z-Octadecadienoic acid 2794.9700 3874.7600 2371.3100 3464.9300 5388.7600 2383.9400 4101.9300 3406.0700 2160.6000 2338.2800 3675.8900 2683.9700
1-[1-[1-[1-[1-[1-[1-[1-(1-Butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol 146907.8700 130911.9800 160972.3700 135253.1200 95260.7500 129553.7200 166641.5000 179391.0400 132456.3000 183270.5400 185129.0300 557190.3200
1_1_1-Trichloroethane 382329.5700 519020.8800 369760.2100 624365.2600 581206.1900 281898.2200 268077.6200 402509.0500 383357.3200 302551.8100 408283.6500 619555.2000
1-(11Z_14Z-eicosadienoyl)-glycero-3-phosphate 758.4200 756.7100 631.3400 684.1000 1008.9900 831.3900 1070.1000 998.4600 1257.4100 1206.2400 1545.2700 1487.6400
1-18:1-lysoPE 3166.0100 7132.6500 3959.2100 11216.1700 3743.3200 4115.3500 2074.4900 1753.0500 3913.5300 1164.4400 4023.9100 3974.8800
1_1-dioxo-N-prop-2-enylthiolan-3-amine 662.4100 1504.2100 394.5500 1943.3800 1480.7800 1297.3700 1660.8700 1096.0800 1476.4000 1497.6500 580.1300 499.1500
11-Keto-beta-boswellic acid 2263.2400 1383.9000 2154.2600 2735.5600 4669.1100 3390.6700 1266.6700 741.1700 1174.6100 1082.9600 945.5300 478.4500
1-(1Z-octadecenyl)-2-(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 174.7800 258.7100 189.4400 3084.3200 54196.6100 25599.2400 2270.6000 560.8700 1050.3200 1093.8200 707.6000 989.8600
1-(1Z-Octadecenyl)-2-(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 1649.4700 1103.1100 2246.9500 1828.9300 1656.3700 1801.3200 1760.6900 3449.9700 1710.8000 1032.0000 1729.4300 1696.0700
12_13-epoxy-9-alkoxy-10E-octadecenoate 5135.0200 4064.8100 3621.3400 2460.1400 5336.2800 3810.5300 5182.0400 4642.9200 4834.4700 4415.9000 4235.7400 5301.8800
1_2-Dioleoyl-sn-Glycero-3-Phosphocholine 12212.9700 10293.7800 8581.1900 9290.3400 31218.5900 12352.4800 4413.3800 568.8700 2759.7400 91475.3100 23154.7400 68604.4400
1_2-Dipalmitoleoyl-sn-glycero-3-phosphocholine 1257.9800 606.4200 1322.4900 1512.8300 1066.9400 771.9300 1159.0700 889.3200 1175.9100 260.4400 977.5000 570.3000
1_2-Diphenylhydrazine 1273459.0800 535499.0400 990748.4200 1211716.2100 931737.3600 1299356.8300 1716475.9300 2893324.2900 937285.8600 1045761.0300 575105.2400 1329625.3800
1_2-Distearoyl-sn-glycero-3-phosphocholine 1815.8800 2732.1100 7697.5100 9302.8400 9655.1600 7492.1600 18532.2700 43937.8900 6785.2800 500.8500 1273.5400 851.4300
12-Ethyl-71_71-dihydroxy-8-isobutylbacteriochlorophyllide c 4687.8300 3987.7500 4524.7600 3761.4400 1278.5600 2411.6400 2476.8900 3390.4500 2879.1800 2232.7200 4368.3700 5075.1100
12-Hydroxydodecanoic acid 1507.1000 5.5800 30.7900 174.8100 23.6200 20.5400 32.0300 842.7400 478.1300 266.2300 86.8000 12908.2700
1_3-Benzothiazole-2-sulfonamide 36115.7900 34091.3400 48316.8600 40170.2000 53123.0800 32900.0100 31003.4700 26469.8500 30372.8400 23853.2300 35442.7800 33158.5600
13^-Carboxy-alpha-tocopherol 212.9400 507.9700 135.6600 392.0500 412.1100 183.4500 991.9700 210.5600 641.4400 1117.5400 1109.5900 234.4900
1_3-dimethoxy-5-methyl-2-[(1R_6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]benzene 748.3100 1456.9400 2765.8200 3521.8500 3066.4000 2982.0800 3439.8400 5743.7900 3389.8200 2413.7800 2448.9600 2532.5100
13-Docosenamide 4254116.2000 1311174.9600 3568850.7100 5480778.3900 1474028.8100 4881880.8700 6161574.7900 4690552.4300 7313560.8500 4336332.8100 5629666.2000 5958843.3600
1_3-Propanediol 16256.1700 14662.9600 15126.8700 15999.1600 15053.4700 15398.7000 15375.1100 15061.5300 16884.2600 13557.6700 14899.2200 16603.6700
1_3-Thiazole-2-Sulfonamide 5683.8100 5138.9200 6326.5800 6037.5200 5472.0600 5989.6600 5718.9400 5785.9200 5880.6000 5471.2300 5249.8700 5093.7900
1-(4-Chlorophenyl)-3-naphthalen-1-ylurea 3491.2300 2632.7100 3976.1200 3235.5700 4520.4100 5364.9100 5078.7000 5157.8500 6469.1700 15436.8900 4992.4200 4154.6500
1-(4-Hydroxy-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide 424.3600 194.5000 376.4200 216.9000 2391.3400 1731.7900 4519.6600 1465.9900 634.6200 2675.4600 1040.7800 3370.5400
1-(5-(2_3-Dichlorophenylthio)-4-nitrothiophen-2-yl)ethanone 452.1000 1685.1100 1955.2100 1695.2100 2014.4500 1853.2000 3015.6700 2800.2000 3123.0400 2860.2100 3987.6300 2127.7500
15-cis-4_4^-Diapophytoene 4319.7700 3785.3500 4540.6600 4110.3100 4126.9000 4030.9100 4846.4300 4464.6500 4696.0400 4143.3800 4620.6200 4638.9100
1_5-Diaminobromo-4_8-dihydroxyanthraquinone 3660.0200 4301.0300 3769.9800 1834.4800 3833.8900 3679.8100 4709.7800 4201.7100 4133.7900 2525.7300 4421.8700 4297.3000
15d-Prostaglandin A1 3275.7300 2802.6300 2976.5700 2946.1900 2530.0000 5667.7600 2561.5300 6640.3300 2143.4300 1613.5700 2959.9500 4275.1500
1-[5-Ethyl-2-hydroxy-4-[[6-methyl-6-(1H-tetrazol-5-YL)heptyl]oxy]phenyl]ethanone 1114.7200 1189.6900 1267.6000 1378.7700 924.4900 1245.4200 1728.1600 1547.1500 1330.4500 1018.0800 1141.3900 1218.2200
16_16-dimethyl-PGE1 4478.0300 4204.2500 5261.7300 5125.6600 4550.5800 3823.6100 4434.0100 3859.2100 3323.8800 4027.3200 6565.1000 5741.2800
1_6-Dimethyl-4-isopropyltetralin 3.7900 1149.0900 1.7600 6.9400 8.0800 4.4000 3.2000 11.2500 3.4300 4.3300 4.8000 6.6400
16Z_19Z_22Z_25Z_28Z_31Z-tetratriacontahexaenoic acid 12405.2900 8421.4600 15015.4400 9596.4000 12822.6700 10007.3300 16162.0100 10052.4300 16889.4200 15407.8000 17568.4400 17208.8700
18-Nor-4(19)_8_11_13-abietatetraene 6082.9300 5546.7700 6693.7300 5337.0100 5845.5700 4202.6800 5781.9300 6390.8000 6674.9400 5652.0400 5780.0400 5532.2800
19-Noretiocholanolone 23781.1000 22223.5000 21158.7500 21887.4100 18749.3900 22625.0700 22022.7600 21742.2300 22290.1400 25933.1200 23090.6800 22434.7700
1-(9Z-heptadecenoyl)-sn-glycero-3-phosphoethanolamine 6532.1800 10638.5800 9657.7700 39238.4400 10251.7300 10445.0400 4222.1800 4471.6100 7601.3400 2966.0100 12919.8100 8668.9100
1-(9Z-nonadecenoyl)-glycero-3-phosphoethanolamine 3558.0100 3381.9000 4526.5400 5406.9600 4314.4200 3492.0800 4377.8200 3815.9000 2573.0900 2992.3400 6294.5800 5502.9900
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 8831.7600 15921.8300 9386.8700 48384.0500 9684.6200 7540.4100 4304.0500 4839.2000 6368.8900 3843.8600 9090.0700 7619.1600
1-(9Z-tetradecenoyl)-sn-glycero-3-phosphocholine 1526.6800 1253.4800 1938.8500 7359.4800 1277.3600 2488.3000 756.0900 818.3000 1579.8300 375.6000 674.3100 735.2300
1-Aminocyclopropanecarboxylic acid 8212.5600 8566.8900 9151.8300 8162.6500 8154.3100 9395.5400 9361.0100 8794.8500 9083.0200 8004.9200 7858.3900 9369.1400
1-Benzyl-2-phenyl-1H-benzoimidazole 4618.9400 4685.0600 4434.5500 4389.6700 5601.9900 4496.8900 5038.6400 4593.8000 4557.5100 4352.1000 5111.6800 4316.4500
1-Benzyl-3-cetyl-2-methylimidazolium iodide 36.9200 12.7100 15.1600 19.8800 13.8400 27.6500 8.0000 16.0300 27.8800 0.4900 39.2400 22.1000
1-(Benzyloxy)-3-(3-fluorophenyl)benzene 3456.9000 3007.5400 3897.0300 3885.2700 3641.8600 4265.4600 3919.6400 3572.8500 3242.8400 3612.3900 4613.4100 4195.3400
1-beta-D-Galactosylsphingosine 4721.0300 4311.3700 5502.7900 5492.1700 5338.8600 4221.4400 4669.7000 4079.8500 3054.6100 3719.0900 6487.2200 6040.1700
1-Deoxyvaleric-acid 2557.1000 2242.0500 1907.1200 2238.4900 2113.2500 2592.1300 3341.7000 2718.0600 2513.8700 2082.2400 2718.6300 2685.2700
1-Heneicosanoyl-2-heptadecanoyl-glycero-3-phosphate 1152.9800 1740.3900 5939.2400 9903.8900 19570.2700 20918.2000 15903.4700 18610.7900 18264.8100 18504.8300 19514.1600 16194.2600
1-Heptadecanoyl-sn-glycero-3-phosphocholine 1033507.6200 1009017.1100 1117952.5200 930073.3800 689089.3000 840942.4300 648319.6100 744364.0700 774861.5900 512166.6400 1041725.7700 1174940.1200
1-Heptanol 28247.3900 53123.4100 13623.4600 53411.5900 51612.5900 40379.2800 58493.0900 54215.1900 60096.4500 35831.8200 35012.4900 53555.2100
1-hexadecanoyl-2-(4Z_7Z_10Z_13Z_16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine 13006.9600 35063.3100 7277.2800 25062.9700 8083.7500 5638.6600 1288.8000 492.5500 80559.8800 78535.3100 51805.2500 33381.1200
1-Hexylamine 696632.2000 760330.6200 701884.1100 689461.0500 690815.8300 733903.7500 1094901.2100 802915.5300 797123.6300 719973.2600 769487.1600 836372.8900
1-hydroxy-5-[[(9S)-9-hydroxy-8_8-dimethyl-2-oxo-9_10-dihydropyrano[2_3-f]chromen-10-yl]oxy]-3-methoxy-10-methylacridin-9-one 888.8100 885.3900 1796.2400 3631.8900 1931.3300 641.9700 1616.8100 1238.2300 1189.4000 722.9200 1150.6100 1056.7200
1-Meadoyl-3-meadoyl-sn-glycerol 635.2000 12227.6000 655.4000 537.8100 826.9700 1153.1400 1203.3400 829.2100 1330.7100 1178.0400 824.7300 661.7800
1-Methylhistamine 4849.9700 6144.1400 5740.2300 6387.3800 6064.5800 7677.3400 10416.1800 10352.3700 7605.6100 6661.0000 7555.0800 7196.5300
1-Methylnicotinamide 909.3100 1398.0100 833.8700 1232.6200 1524.9900 1519.6700 1990.3500 1900.7000 2178.6500 2142.9400 1573.8000 1927.0700
1-Myristoleoyl-2-(1-enyl-palmitoyl)-sn-glycero-3-phosphocholine 3530.8700 3064.3300 2806.1600 4270.5200 3904.1400 4008.0700 4776.8400 4212.4100 4052.8200 4676.7200 3788.8000 4897.2900
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine 1255.4300 2365.3900 3244.5000 6260.2700 3483.6800 2630.7300 2379.9000 2603.1300 2478.4700 2520.8100 2134.2400 2526.3200
1-octadecyl-2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine 3334.1300 3770.8700 2530.8100 1244.3000 2393.8100 2109.8500 1529.1500 572.2700 665.9700 587.6200 339.4400 233.8900
1-Octadecyl Lysophosphatidic Acid 2784.4200 3177.6900 2761.4500 3218.6400 2983.4200 2994.2400 3182.2600 3259.7500 3000.2600 3009.4300 2827.9000 2592.8500
1-O-Hexadecyl-2-O-ethyl-SN-glycero-3-phosphorylcholine 5686.3200 5492.1400 6842.3300 8035.9400 6784.9700 5453.8000 5408.4800 8033.9000 3472.8500 4758.1600 7025.7000 11869.4300
1-O-Hexadecyl-sn-glycero-3-phosphocholine 1001.0200 4448.6900 667.0000 1905.2000 1513.3100 1071.3900 681.8000 600.5800 1335.9500 426.9600 532.2000 737.1400
1-Oleoyl-2-acetyl-sn-glycerol 2304.9800 1854.8500 1958.4900 3068.4400 2081.6100 1687.2700 3889.7800 2732.4000 293.0300 177.1700 3516.2900 2332.8100
1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine 11593.7000 19408.8200 9987.9100 21663.0100 5039.2500 7405.7300 6943.7200 8362.5500 7895.4400 6156.7600 13871.5300 8112.3700
1-Oleoylglycerone 3-phosphate 452.7000 499.1700 930.9200 7538.7300 1213.3400 31.0900 18.2500 4.3900 447.6200 4.3900 7.8600 20.3500
1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine 1288.6300 3089.6100 9181.9200 11781.4400 11031.9200 13450.4200 12922.7300 15460.0500 14261.9700 8615.3500 7064.9800 5879.3100
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine 21118.1100 7278.0400 8501.1100 83785.1300 410017.3200 106383.1700 10034.7600 117459.1300 136315.1000 60622.3800 33947.3000 15015.1700
1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine 290.4000 327.1300 180.9600 435.0300 149.6200 273.8600 161.9700 477.7500 426.6100 480.9700 410.7900 755.7900
1-Palmitoyl-3-osbondoyl-sn-glycerol 14883.3100 16470.7000 16807.2000 9927.0800 3291.8600 4729.4300 1527.8100 1826.5200 6701.0300 5477.8500 1541.0900 3316.7600
1-Pentadecanoyl-2-tetradecanoyl-glycero-3-phosphoethanolamine 10066.3000 14078.0300 15177.7700 16333.3100 3839.0000 8228.6400 3423.6300 5667.1200 7181.4900 4944.8000 6232.4800 3731.4600
1-Pentadecanoyl-glycero-3-phosphoethanolamine 6433.9600 8169.1800 9875.0600 8028.2900 9619.8300 7596.0100 6796.6700 8982.3900 11386.2400 4345.1400 6924.7700 4591.8700
1-Phenyl-1-propanone 2113.9400 2888.7000 2676.6100 3302.1000 2611.2700 3096.2500 3203.2200 2499.7200 2940.4900 2836.8500 2299.8400 2207.2800
1-Phthalazinamine_ N-(3-chlorophenyl)-4-phenyl- 2400.1600 1692.1700 1824.7500 786.4300 2626.7900 3983.8100 1687.4600 1622.7300 888.7800 926.4700 2489.6800 1204.1300
1-Piperidinecarboxaldehyde 12210.2600 11880.6500 12170.9800 12977.2400 10446.8300 12818.0100 11282.1000 13434.6400 11341.0700 9249.5400 12963.7500 12404.7400
[(1R_2S_3R_4aR_5S_6R_8S_8aR)-5-[(3aS_5S_6aS)-3a_4_5_6a-tetrahydrofuro[2_3-b]furan-5-yl]-3_8-diacetyloxy-8a-(acetyloxymethyl)-5_6-dimethylspiro[3_4_4a_6_7_8-hexahydro-2H-naphthalene-1_2^-oxirane]-2-yl] 2-acetyloxy-2-methylbutanoate 922.6600 2566.9600 2470.2500 1813.4100 218.0200 734.1200 250.5600 82.6600 993.0200 117.1400 494.9300 534.8000
(1R)-Glutathionyl-(2R)-hydroxy-1_2-dihydronaphthalene 2038.1000 542.5300 1788.2500 6831.8100 988.5500 455.0500 135.2100 373.1900 538.2100 957.1700 2550.1800 1409.2900
(1S_2S_4R_8R)-p-Menthane-1_2_8_9-tetrol 9385.9700 9861.0500 10491.3800 9553.7200 9424.5800 10257.8000 9430.9200 10327.6300 9209.1800 8779.4800 11023.5200 8129.9400
[(1S_3R_6S_8R_11S_12S_15R_16R)-7_7_12_16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01_3.03_8.012_16]octadecanyl] (E)-3-(3_4-dihydroxyphenyl)prop-2-enoate 1.0100 5.6100 1.2100 0.5000 0.7600 0.3400 2.5000 0.5500 0.1300 0.3300 0.6100 1.0500
(1S)-Deltamethrin 141335.4100 93670.7900 16041.7600 27977.9400 87423.3900 91758.5500 92869.3000 115598.1200 72776.2100 48067.1600 87526.6200 105772.3300
1-Stearoyl-2-arachidonoylglycerol 83.2200 4799.8000 61.7800 28.6500 21.4400 5.1300 55.2900 68.2100 35.5000 587.9000 719.9300 712.3100
1-Stearoyl-2-Arachidonoyl PC-d8 3346.7900 2426.6500 5003.8400 1677.0500 2161.1900 2272.5000 1320.4400 3263.6600 1892.3800 2019.1500 1894.2200 2203.2500
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine 352900.3600 381156.4000 281384.2900 131229.0000 22879.0200 241171.4800 543923.6800 1336134.7900 1264463.4300 2043405.5500 303142.6500 200638.2700
1-Stearoyl-2-arachidonyl-sn-glycero-3-phosphocholine 147729.7800 34881.9700 32036.0300 29560.6800 30017.1300 20544.9700 26392.6100 95980.5900 83092.2500 48079.8600 35757.5600 23371.9000
1-Stearoyl-2-docosahexaenoyl-sn-glycerol 6729.6700 5256.4100 6858.6000 4665.1500 2949.1500 6469.1100 9367.1200 6304.2900 7369.3000 6320.3700 6291.4700 4879.2100
1-Stearoyl-2-palmitoyl-sn-glycerol 312.9800 887.5000 3730.4900 2817.6200 2250.8600 2197.7900 1108.8200 732.5800 742.2300 494.2000 641.0400 997.1600
1-Stearoyl-2-vaccenoyl-sn-glycero-3-phosphocholine 131601.0500 172927.0100 166193.5500 144447.7500 162016.7900 111259.3100 24972.7900 31853.0300 23036.7300 147294.7200 97313.0700 96994.4500
2-(1H-indol-3-yl)-2-oxoacetaldehyde 536.9200 1326.7300 816.7600 1966.4000 1150.8800 1338.7700 793.3000 1128.0100 1420.9300 1221.8500 670.7300 616.4400
2-[2-[(2E_3aS_4S_5R_6aS)-Hexahydro-5-hydroxy-4-[(3S_4S)-3-hydroxy-4-methyl-1_6-nonadiyn-1-yl]-2(1H)-pentalenylidene]ethoxy]acetic Acid 2817.4500 2163.0600 2439.4900 1784.5500 1388.3700 3511.3600 3339.7200 3076.2600 3709.4300 2221.3600 3037.8800 3907.5400
2_2^:5^_2^^-Terthiophene 4996.3200 4389.8300 5670.8700 4748.2800 7836.2400 8062.1100 8210.5100 7140.2400 7083.4000 7050.4100 7423.0400 8207.9300
2-[(2-Amino-3-hydroxypropanoyl)amino]-3-sulfanylpropanoic acid 2191.4200 2912.4100 2260.6400 2374.9600 2361.0300 8597.8500 2292.3400 10643.9600 2284.9700 2505.6700 2061.5000 1981.4600
2_2-Dimethylpentanoic acid 53750.8000 58554.9800 52902.6700 51006.9600 51524.7000 53645.5000 52386.1800 52310.4100 56668.0000 54004.2100 57970.2600 49429.3700
2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid 20118.2900 19979.4800 21618.1600 21440.0100 14921.0600 18002.3300 25253.3400 21200.4400 23889.5200 23590.8300 24518.4700 22710.6800
2-[(2^-Methylthio)heptyl]maleate 2432.2000 993.5500 2192.3700 28909.5500 795.6800 4.4300 8.5700 167.1500 2265.3300 1645.6800 5092.1000 1580.9500
2-(2-nitrophenyl)-2_3-dihydro-1H-perimidine 2412.3500 2300.3400 2235.2600 1434.6500 1592.4500 1856.3400 987.4800 1240.2800 1454.4200 1140.9800 753.0700 1016.0800
2_3^_4_5^-Tetramethoxystilbene 220941.9000 43281.1000 78434.2600 80648.4300 82014.7200 206040.3000 236260.7700 100797.3500 215024.8700 77712.3500 217001.3900 227553.0000
2_3_7_8-Tetrachlorodibenzofuran 14430.2000 15712.1800 15257.0800 15364.6800 14675.3500 16465.8000 18518.8600 18113.5200 17400.2800 16063.1900 13899.4600 13753.7700
2-(3-acetyloxy-4_4_10_13_14-pentamethyl-2_3_5_6_7_11_12_15_16_17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-5-hydroxy-6-methylhept-6-enoic acid 0.3300 2.9600 105.4000 0.8900 0.6600 0.1000 0.9300 2209.4300 19.0400 3.8900 104.8400 2.2400
2-((3-Aminopropyl)amino)ethanethiol 1355.7400 1803.0500 1673.0600 1717.5600 1363.3200 1447.6300 644.1500 1135.9900 1098.4800 705.5500 1840.4400 1808.8200
2_3-Butanediol 1568.3700 1453.2900 2085.1500 1474.8700 1958.1500 1865.9800 1789.9200 1783.0700 1799.3600 1839.2500 1703.8600 1299.2700
2_3-Diaminopropionic acid 1785.8500 1989.4700 4135.1900 4369.2400 3981.3800 5191.8700 3743.8500 3243.0600 2190.1400 3271.2600 5780.5000 4229.5700
2_3-Dihydrobenzofuran 9180.4300 9433.1600 9149.3700 9615.6100 9881.1400 9682.6700 7569.5000 9415.3000 7796.6300 5519.5300 9730.3600 10018.3100
2^_3^-Dihydro-phytomenadione 2471.1300 1844.3000 2696.2600 3071.5900 2835.2400 2239.4000 2991.3300 3271.1100 2702.2100 3083.6100 3046.0400 2959.5600
2_3-Dihydroxy-4-methoxybenzoic acid 32193.5200 51595.5000 46968.8300 87811.6000 91745.8300 93046.8100 124802.7300 89082.8300 185014.7300 402712.2200 92774.1100 58824.1500
2_3-Diphenyl-3-(2-pyridinyl)acrylonitrile 10300.8900 10453.1400 9380.4300 10723.4500 9536.3800 10249.4900 10236.6900 11824.2100 9202.9400 9701.0300 8926.0300 9272.2500
2-[4-(3_4-Dichlorophenyl)-1_3-thiazol-2-yl]acetonitrile 2560.8700 2731.4200 1829.7800 2890.0100 1784.1700 2435.3200 2238.2400 957.3100 612.2800 2144.0400 2691.0200 855.8500
2_4-Diaminobutyric acid 31705.0300 28665.0600 31252.9700 27020.6200 30985.8900 29316.2500 30862.1500 29730.9000 26703.9300 30561.6600 30262.7500 27931.0200
2-(4-Fluorophenyl)acetohydrazide 1455.9400 3387.8600 1405.1500 4267.7300 1222.1600 2731.9300 3173.7100 2628.5800 3515.3700 9069.2000 2730.3500 2106.4900
24-Methylcycloart-23-en-3beta-yl acetate 9730.9500 9267.6000 9018.4800 9396.3400 9013.7700 11467.3700 9997.5000 9962.3300 10031.0400 9640.1800 11850.2100 10885.8300
2_4-Pentanedione 3438.9800 4231.1900 7247.7000 8506.6600 7667.8600 8824.5200 7149.1600 6100.0900 4594.4000 6177.5800 9873.3100 8266.6500
2-[(4s)-6-(4-Chlorophenyl)-8-Methoxy-1-Methyl-4h-[1_2_4]triazolo[4_3-A][1_4]benzodiazepin-4-Yl]-N-Ethylacetamide 1584.3400 1750.8600 1398.8900 1710.3400 1615.8200 1516.0200 1623.6500 1928.5700 1686.4600 1668.0400 1742.6400 1874.5900
25B-NBOMe 575.4900 1915.5700 1467.1000 1912.8700 2690.8200 1048.9300 1517.8300 2075.2500 1740.9500 1657.2300 1597.3000 586.1100
(25R)-3beta_4beta-dihydroxycholest-5-en-26-oate(1-) 1013.3900 972.2900 1135.7100 1186.4900 1361.6200 784.2500 1217.1400 1281.0100 1476.6300 1113.0600 1630.8500 1233.5400
2_6-Cyclolycopene-1_5-diol 4712.2800 4978.9100 6320.1300 10064.3100 4996.8000 7513.0900 8048.6500 6361.0200 5660.7500 5528.4500 5919.9300 5332.5200
2_6-Diaminooimelic Acid 1184.1700 495.4000 1065.0000 13774.5200 511.7700 43.0600 17.5400 125.0800 59.3200 924.1900 2537.2200 635.6800
2_6-Dichloro-3-phenylpyridine 255.1100 84.4900 928.1900 1916.9400 1170.6900 1680.2500 9159.1700 4761.4100 7052.4700 14277.9200 4178.0000 1013.6700
2_6-Dichloro-4-fluorobenzaldehyde 7317.0300 9249.4400 7426.1900 7752.1400 12997.1400 5258.9200 11024.1300 9967.9800 4913.7100 9425.2900 10216.9500 12256.2400
2_6-Dichlorobenzamide 169026.0000 293889.0900 363483.9600 324807.6800 100033.0900 21462.8900 106989.1300 131677.1800 172898.9500 116457.0800 173109.1700 116958.8800
2_6-Dichlorobenzonitrile 6331.0700 6466.3100 6489.5300 6282.2200 6466.6500 5501.8600 8064.3100 5354.6200 6154.2000 7980.6900 6787.7200 6226.2300
[2_6-Dihydroxy-4-({[5-hydroxy-2-(hydroxymethyl)-4_6-bis(3_4_5-trihydroxybenzoyloxy)oxan-3-yl]oxy}carbonyl)phenyl]oxidanesulfonic acid 2336.4400 19727.0900 5667.0900 426.3000 22359.3200 5740.6600 28889.0100 26881.9900 5725.6300 9380.0400 10167.7700 45368.1900
{2_6-dimethoxy-4-[3-oxo-3-(2_4_6-trihydroxyphenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid 10059.0600 13627.8100 8645.1000 8891.9200 7125.6600 9350.7800 6980.3200 8732.3200 11058.1500 7529.8900 9610.1800 8257.0900
2_8-Dichloro-3-dibenzofuranol 49520.6200 37785.8500 42789.2400 42420.3200 67633.5400 51598.6100 60404.7900 54443.2500 52513.1500 49837.3600 48158.0000 62839.8200
{2-[(9E)-hexadec-9-enoyloxy]ethyl}trimethylazanium 1016.4900 1072.7700 1408.2300 2572.3700 932.8700 1377.1100 707.1100 1070.3200 830.6800 567.6100 1123.6000 474.8100
2-(Acetamidomethylidene)succinic acid 1547424.1600 1423709.4500 1525812.5400 1539750.9500 1377431.3600 1464602.8400 1551030.7700 1495889.6700 1488721.0000 1548783.5400 1560268.2200 1553405.1700
2-Acetylfuran 18776.9300 17556.1000 24811.8500 20472.1400 12300.0100 15208.7500 12094.5100 13694.5100 13763.0300 16125.0900 13769.6100 12518.8700
2-Amino-1-phenylethanol 136639.5700 141348.0000 131966.5000 138793.9700 144253.9900 146074.1900 110158.5200 97126.4400 114668.4100 80939.8500 143112.9200 144852.8800
2-Amino-4_6-dichloropyrimidine-5-carbaldehyde 522577.7800 646481.5000 504315.9400 498147.3900 501755.9900 541033.1900 1664597.0000 1655836.0700 590845.7700 507284.5000 464612.5700 459759.8800
2-Amino-5_6-dihydro-4H-1_3-thiazine 234424.2500 201727.2200 101813.7300 105807.6900 205610.7800 214193.5900 209142.8500 200233.8200 91298.5600 220577.6400 203510.0900 106659.6300
2-Amino-5-bromo-2^-chlorobenzophenone 4068.5600 3624.6400 3481.0300 3753.7000 3262.4900 3668.6900 3801.6100 3468.7900 3572.1100 3659.1000 3394.1700 3414.6000
2-Amino-5-methyl-4-phenylthiazole 9849.6100 9380.1900 15351.0800 9010.2100 16790.6400 19503.9900 20053.1700 19804.5200 17577.6800 19482.0400 20380.0500 19877.0100
2-Aminoacetophenone 2907.4900 3048.2600 3482.6600 3913.6500 3625.5200 3972.9200 4341.6500 3282.8900 3670.3200 3074.4900 3379.9500 3425.4100
2-Aminobenzenesulfonamide 23062.8000 33801.7200 31325.6700 25390.4100 35793.4900 29097.4900 30221.8000 29027.3500 29954.5600 20614.8400 28638.9800 28419.7000
2-Aminoethyl dihydrogen phosphate 296624.6000 395842.9700 407553.1200 416161.5900 215514.3000 267024.0700 209051.7800 235266.0300 250855.3100 162579.9500 274147.2200 278200.6200
2-azaniumyl-5-[[1-(carboxylatomethylamino)-3-[(Z)-N-hydroxy-C-(4-methylsulfanylbutyl)carbonimidoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoate 6906.6900 2530.1000 1694.2300 2198.1700 20941.6800 12811.1500 12871.9600 8988.8200 5792.2100 14016.0300 5633.7700 9411.4100
2-azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate 1599.8300 370.8600 427.9200 474.6600 1808.3700 601.1200 3870.3300 7141.8100 3516.2800 5795.9500 6894.2300 8019.2400
2-Bromo-5-fluorophenylacetic acid 10231.5900 11570.6900 15880.4200 9917.0200 6901.6300 7003.2100 4437.2700 7280.7600 11168.8000 4517.7300 6028.8200 9338.7100
2-Butoxyethanol 3655.6400 3538.2400 3384.8900 4023.7000 4771.5400 4022.4600 5870.5100 3825.6200 4504.0300 5723.3800 7151.2500 4695.1100
2-Chloro-1-(2-hydroxy-3_4-dimethoxyphenyl)ethanone 2839.7500 2735.9600 2965.8200 2444.6400 3183.1800 3437.5300 4110.9000 4127.1100 4648.4200 4400.9900 5123.5800 5338.7300
2-Chlorobenzoic acid 2931.8600 3417.6700 3184.8700 3637.4500 3184.5300 3369.3000 3566.7000 3353.9400 3543.1600 2944.4100 3711.9200 3697.5100
2-Chlorobenzophenone 5932.5800 6545.1100 4976.0500 5382.1700 10053.2700 6084.9600 6319.9800 7001.2400 5065.1100 4475.6400 5121.1500 7772.0300
2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine 1.0900 1.1900 0.0700 0.2600 0.2100 0.3800 1.5700 0.5500 0.5400 1.7500 0.8600 0.6900
2-Decenal 5862.2100 3782.6900 5847.5200 1246.1400 5341.7400 4746.8400 4033.7800 3229.0900 4919.7400 6217.3100 3872.6300 5522.0700
2^-Deoxyadenosine-5^-monophosphate 3355.8200 2939.3800 3072.7600 2845.7100 2693.7400 3107.3100 3435.4500 2852.8900 2770.1400 2838.3900 3209.6300 2877.7200
2^-Deoxyguanosine-5^-diphosphate 3241.5100 3193.6100 3402.1000 3127.2900 3033.3900 3246.4100 2797.3900 2824.3200 3267.8300 2898.6400 2777.4900 10014.2700
2^-Deoxymugineic acid 3202.8400 4943.5400 5113.0900 5783.2300 3226.8700 3609.0800 3255.5800 3369.4700 3515.1600 2751.7100 3354.3900 4203.6800
2-Dodecenal 1132.9800 1692.8600 806.2200 1101.4300 1129.2200 1736.7400 1699.6900 1756.8800 1931.0200 1778.4500 1805.9300 2055.3700
2-[(E)-3_7_11_15-tetramethylhexadec-2-enyl]naphthalene-1_4-diol 350418.9500 391613.6600 339843.2600 400926.4200 359381.2600 350390.4500 376397.3700 351115.1200 358058.5000 321920.5200 337459.2300 329520.8900
2-Furancarboxaldehyde 3300.8200 2589.7700 2047.0400 2666.5100 6281.3200 4132.1900 4170.3800 3338.6100 2795.1300 3392.4500 3242.5300 2876.1300
2-Hexadecenal 483.4300 449.6300 317.4200 380.5700 153.6300 206.6900 383.9900 370.1400 557.6600 579.8500 556.0500 629.8700
2-Hexaprenyl-6-hydroxyphenol 57676.8200 20516.7300 42119.2200 15739.4600 13026.8600 7853.5100 2874.8800 4601.4100 24090.7700 6435.4600 4846.7800 1897.6700
2-Hydroxy-2-methylbutyric acid 75722.7500 85310.1500 108849.5800 94449.2900 44916.0800 62353.1500 47457.4700 51870.9200 74452.9700 53597.7500 58302.3200 47742.1100
[2-hydroxy-3-[(9Z_12Z)-octadeca-9_12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate 4216.3500 7766.8100 4658.2600 13531.5000 4799.2500 4651.0100 3130.8300 3182.9400 5928.1500 2184.4800 5790.5000 6564.7800
2^-Hydroxy-4_4^_6^-trimethoxychalcone 7175.5000 6829.2100 6183.0700 7992.3900 6615.4600 6977.3400 7840.4200 7573.2700 7063.1100 8154.8900 7527.6000 8032.3700
2-Hydroxy-6-pentadecylbenzoic acid 1873.9500 3909.0400 4256.4600 4038.4200 3468.5000 1760.2800 3693.5600 4081.0600 2256.9300 3548.7400 6114.1100 3838.4300
2-Hydroxybutyric acid 1786683.0600 1697437.4800 1754622.5100 1779717.3800 1621590.9000 1726114.3900 1841436.5200 1779342.7000 1765737.2900 1836146.0600 1863332.5200 1854824.5200
2-Isopropoxy-5-trifluoromethyl-phenylamine 2711.7800 2679.2200 2556.8400 2237.4600 2787.7900 2819.0200 3458.4300 3056.9800 3234.5300 3585.0600 3064.6800 3084.9800
2-Mercapto-5-trifluoromethoxybenzothiazole 253119.6600 203633.9200 220843.3400 182699.9000 277372.2400 269774.0200 282155.0200 268013.4200 232998.7200 307349.9500 248911.5600 269682.0400
2-Methoxy-3_5-dimethylpyrimidine 37369.7500 45105.5500 32243.3600 56039.8900 39984.4500 34747.2200 33479.8600 35136.4900 31796.2400 24182.7300 32234.7700 30217.2900
2-Methoxy-4-[2-propenyl]phenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside 423.6800 801.8800 1172.9000 47.3100 920.9300 1162.1300 1023.4900 1166.9500 2620.9500 1975.5300 1761.5800 99.4400
2-Methoxy-6-all-trans-nonaprenylhydroquinone 3658.7100 4907.2100 6314.3100 5937.0800 441.1500 2675.1500 828.4100 299.5500 524.9800 774.0400 1903.4900 1408.7700
2-Methyl-3-furanthiol 42541.8900 40535.0200 46236.2700 45288.7100 28143.6000 32491.4900 22291.6900 26865.6800 24696.4400 24432.5800 24524.9800 26462.4100
2-Methylarachidonoyl-(2^-fluoroethyl)amide 1296.5900 3608.4900 3207.5400 2324.7700 2403.6500 950.8100 2182.8900 2740.9500 2259.5500 2325.6800 3805.3100 2997.4200
2-Methylpropyl hexanoate 33209.0100 32738.9200 36607.1400 33157.2800 34040.6300 30970.0600 29019.7400 30755.1100 38232.8000 22745.3900 29914.4300 30739.6600
2-[N-Cyclohexylamino]ethane sulfonic acid 2172.8400 3894.8700 4532.3700 2120.5700 5911.3300 5870.2600 1665.3400 1871.3300 5125.2800 2008.1100 2134.0000 6365.6400
2-Octanamidoacetic acid 15680.0200 8860.1400 15228.7400 14126.6100 13860.5400 12103.2100 3289.7600 4830.9300 4119.8800 2771.0500 5913.6400 4369.2900
2-Phenylacetamide 1349.4100 1595.0800 1134.0500 1944.9200 1576.5900 1306.1500 1186.7700 1294.8600 1328.0900 1367.8600 948.2200 895.5200
2-Phenylaminoadenosine 12879.2600 11660.0700 11255.8900 12930.9800 12238.1900 11386.5300 12522.3000 13497.4200 12716.9500 13613.2500 17671.5400 15235.6700
2-Phenylphenol 81617.4900 84453.8400 76176.3700 81011.7100 85588.8500 77147.2300 81958.9500 78014.1300 79212.7500 77875.0700 68065.3300 65594.1000
2-Phenylpropylamine 26.5200 733.4900 25.6300 2035.4400 1438.3500 4539.5900 372.8800 16.7300 2598.7600 98.3500 454.0700 1133.8900
2-Phospho-D-Glyceric Acid 5345.4000 5140.8700 6331.1900 5138.7100 3178.7900 3648.6400 2208.5200 3781.6200 4049.8800 2747.0100 2971.1700 4845.6900
2-Propanamine_ 2-methyl-N-(phenylmethylene)-_ N-oxide 4764.3700 4443.4500 4562.5800 4426.0600 4563.9100 4451.6100 4702.4600 4674.0700 4120.0100 4237.6300 4725.0500 3970.3600
2-Propanoylthiazole 2427.3300 2418.9300 2361.8800 2200.0200 2279.0400 2619.2500 2246.2000 2519.3300 2426.0900 1580.7400 1571.3300 1922.3400
2-Propenoic acid_ 3-phenyl-_ phenylmethyl ester 2447.6300 2395.5300 2201.7500 2558.2300 2534.6000 3015.6700 2832.1800 2618.7000 2414.8800 3264.5500 2586.3700 2482.7300
2-Pyrimidin-2-yl-propionic acid 16802.1800 20871.9200 17099.7700 21577.6700 16903.2100 16971.3400 17508.8700 16691.9500 17592.8700 16432.5100 16803.9700 16129.2500
2-[(Pyrrolidinium-2-ylcarbonyl)amino]propanoate 2823.9500 4288.6300 3414.9700 4645.3700 3654.6800 3299.1300 2948.6500 3247.9600 3451.8800 2419.8000 3067.1500 2904.7500
(2R)-2-[[4-(2_6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2_5_7_8-tetramethyl-3_4-dihydrochromen-6-ol;dihydrochloride 3781243.0100 4311753.1700 4373394.8900 3010768.3600 1709459.9000 3489163.5600 1914566.7000 2326612.9400 2317482.8200 1305061.0900 3896164.7200 3534095.0300
(2r)-3-(Hexadecyloxy)-2-methoxypropyl 2-(trimethylammonio)ethyl phosphate 9315.2000 8275.5300 9886.2400 8457.2200 6547.8000 7562.6500 6704.3200 7332.1500 7652.0000 5363.3800 9939.2400 10686.6900
[(2R_3R_4R_5R)-2-[(1S_2S_3R_4S_6R)-4_6-bis(azaniumyl)-3-[(2S_3R_4R_5S_6R)-3-azaniumyl-4_5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3_5-dihydroxy-5-methyloxan-4-yl]-methylazanium 0.5300 1.9500 25.0100 31.9700 0.1600 0.5900 0.9500 32.9900 0.2900 0.6600 0.9000 35.8300
(2R_3R)-5_7-dihydroxy-2-{3_4_6-trihydroxy-5-oxo-8-[(2R_3R)-3_5_7-trihydroxy-3_4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-2-yl}-3_4-dihydro-2H-1-benzopyran-3-yl 3_4_5-trihydroxybenzoate 1427.8500 289.2400 339.6400 44.1800 1298.9600 87.3100 528.5900 4680.4200 1149.1200 614.7000 1036.6700 2557.4100
[[(2R_3S_4R_5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3_4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate 2584.0700 3468.1300 1618.5900 2931.8600 2393.8800 1683.8000 1056.6500 761.9300 1801.9000 34.5900 2466.4300 2136.3100
(2R_3S_4S_5R_6R)-2-[[(2R_3R_4R)-3_4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-[(1S_4S_6R)-4-hydroxy-2_2_6-trimethylcyclohexyl]butan-2-yl]oxyoxane-3_4_5-triol 2238.0100 2113.1800 3890.8100 4201.0400 4050.1100 5169.3700 4657.9900 3297.0700 2620.4100 3463.4100 6430.2300 5175.1600
(2R_3S_5S_8R_9S_10S_13S_17R)-17-[(2S_3R_4R_5S)-3_4-dihydroxy-5_6-dimethylheptan-2-yl]-10_13-dimethyl-2_3_4_5_6_7_8_9_11_12_14_15_16_17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2_3-diol 1081.4700 1192.7700 1237.4100 1221.5300 1079.9900 1158.7000 914.7100 1012.3900 1382.3200 807.4500 988.0000 1128.7200
(2S)-2-amino-3-[[3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid 453.1400 671.5700 1703.0600 1564.6100 5349.9900 2122.6900 3722.8100 5184.1100 3713.3400 4098.1300 3591.4000 4415.2900
(2S)-2-ammonio-5-{[(2R)-1-[(carboxylatomethyl)amino]-1-oxo-3-(selanylsulfanyl)propan-2-yl]amino}-5-oxopentanoate 12765.3900 17389.6100 18295.6700 16763.7600 5279.4300 9319.0600 5413.5400 7260.2100 10289.1400 2609.9400 9736.3500 6490.8800
[(2S_3R_4R_6R)-3-hydroxy-2-methyl-6-(12-oxo-3_13_23-triazahexacyclo[14.7.0.02_10.04_9.011_15.017_22]tricosa-1_4_6_8_10_15_17_19_21-nonaen-3-yl)oxan-4-yl]azanium 4473.2600 3955.1900 2937.9200 2473.8600 11753.6500 7721.7400 3959.7400 7520.2200 5278.5700 5568.6100 6462.2200 2950.6200
(2S_3R)-5-hydroxy-3-[(2S_3R)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S_3R_4S_5S_6R)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2_3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-7-[(2S_3R_4S_5S_6R)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2_3-dihydrochromen-4-one 256.6900 521.5900 456.5200 562.8200 384.5900 317.1800 5426.8800 463.1000 272.7700 4255.9100 90.0200 5318.2600
(2S_4S)-1-Acetoxy-16-heptadecene-2_4-diol 130.5100 331.8400 243.2100 371.4300 188.0500 184.1500 46.0800 521.3500 202.3800 65.3900 108.5300 169.4800
2-Thiophenethiol 30980.5400 34633.3100 41293.3400 45051.9700 34166.4500 34408.1300 40530.3800 35886.8300 31715.7700 32596.3300 34141.4800 27692.2700
2-Thiouracil 6481.1100 6209.7600 6315.3900 6104.2800 6067.1000 5718.2900 6530.9800 6765.7300 6867.2300 5767.4800 6453.0600 6444.8500
2-Undecanone 36137.6200 42133.2500 35384.1100 39028.9000 31912.5300 39412.5600 45253.2600 43825.6900 48236.0600 48957.9300 43874.4700 39237.4800
2-Undecylsulfonylacetic acid 13924.6300 8630.0100 6301.7900 6165.8600 19582.6600 13969.3200 16177.5200 16844.5000 10456.7600 12067.0200 10008.9000 19225.6500
3-(11_12-Dihydroxy-15_19-dotriacontadienyl)-5-methyl-2(5H)-furanone_ 9CI 1924.9100 1220.3800 664.6800 1057.3000 1020.0900 1095.9000 1910.6400 1683.3400 2012.4400 4749.2000 3898.2200 2664.0400
3_3^_4_4^-Tetrachlorobiphenyl 24951.2600 22170.9100 22415.8200 21680.9300 22182.9500 24530.9900 23784.4300 22172.9300 23611.1500 26544.1500 23286.1500 20893.4400
3-[3-[(4-Fluorophenyl)sulfonylamino]-1_2_3_4-tetrahydrocarbazol-9-yl]propanoic acid 1305.8700 2565.9400 1676.7600 3586.7200 2377.4600 1909.8900 2431.1000 1789.3800 2267.4500 2454.8600 1362.2700 1098.3400
3_3-Difluoroandrostane-17-ol acetate 17747.7200 12980.6400 14312.1900 14189.8000 14985.7900 20953.5800 16362.0400 16185.5100 15836.5900 13274.0300 14720.1700 15561.8800
3-{3-oxo-2H_3H-[1_2_4]triazolo[4_3-a]pyridin-2-yl}propanoic acid 2726.8900 2351.1600 2950.9200 2308.6900 3707.4200 4374.0900 4518.9800 3861.9900 3781.1000 3769.9700 3780.0900 9759.5400
3_4-Bis[(3-hydroxyphenyl)methyl]oxolan-2-one 1.7200 0.5400 2.2500 0.9300 539.1000 247.4000 4.2500 3939.9700 23.0600 5.3200 203.4600 12.4800
3_4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoic acid 7789.8100 6710.1500 6622.3100 5239.8100 7182.2900 7449.8700 9601.9100 6636.5400 8681.4800 11245.1800 7676.7300 6807.7600
3_4-Dihydrocoumarin 2402.4600 2489.2400 2461.6200 2476.6900 2601.9500 2520.9300 1531.0300 1694.4700 1998.8300 1139.9900 2490.4900 2355.8900
3_4-Dimethyl-5-pentyl-2-furantridecanoic acid 27.7500 717.2600 1652.1500 47.1100 65.9400 5.5600 11.3500 5.2800 411.6200 196.6300 25.4300 11134.8700
3_4-Diphenyl-7-hydroxycoumarin 1548.1800 621.3400 872.8100 1552.7200 2308.9300 1867.0500 2011.6200 1134.2600 3353.2800 8427.1100 2547.3100 1774.8400
3-[(4-Hydroxy-3_5-dimethoxyphenyl)methyl]-4-[[4-[4-[[4-[(4-hydroxy-3_5-dimethoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl]-2-methoxyphenyl]-3-methoxyphenyl]methyl]oxolan-2-one 660.7500 1552.4000 1381.5300 2535.7700 2403.1100 2704.8000 561.3700 1033.5200 1905.2500 2490.6600 2117.0100 1108.9000
3-(4-Methylpent-3-enyl)thiophene 12140.3700 13972.7400 9280.3500 10899.4300 14897.1900 10933.4300 14268.9500 13581.1900 12779.1300 11538.3600 9450.2800 10625.0600
3_5_5-Trimethyl-2-cyclohexen-1-one 4315.9400 5241.8200 4876.8900 4331.3900 5475.5400 3997.1600 4624.8300 3838.4300 4444.0200 4739.7600 4718.9300 3978.6300
3_5-Dinitrobenzamide 14377.2200 12207.6200 12180.2900 11160.6900 14712.1700 14035.3400 14470.8600 14300.6600 13403.3200 15951.4000 13461.8400 14485.2300
3_6_9_12_15_18_21-Heptaoxatricosane-21_23-diol 1965.1200 1747.3900 1513.7000 1798.9900 2800.0400 1276.9000 2108.9500 1289.2000 1700.9400 1124.2300 1567.0700 2136.4100
3_6-Epoxy-5_5^_6_6^-tetrahydro-b_b-carotene-3^_5_5^_6^-tetrol 2358.7100 1618.9300 1471.3900 1181.3400 2015.9700 1460.4500 2271.6500 2111.0300 2155.5600 1614.3700 2590.7800 2117.4800
(3a_5b_7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid 3557.0800 3338.9800 3849.6000 3406.5700 4068.4600 4679.9300 4292.0200 4022.3500 3049.1400 3962.2500 3681.0000 3664.1800
3-Acetyl-11-keto-beta-boswellic acid 3792.2000 3758.7200 3062.2300 3835.5700 2661.6600 2995.0400 2400.0700 2723.1000 2882.2500 1610.0800 2958.7100 2928.2300
3alpha-3-Hydroxytirucalla-7_24-dien-21-oic acid 802.1900 70.0100 609.0800 27.2200 7.3300 6.1700 5840.6700 40273.8500 140.6700 2821.4300 1837.1600 1397.2700
3-Amino-2_3-dihydrobenzoic acid 30975.8800 37261.6200 45025.0900 33716.5800 32676.2200 30975.8000 87431.2900 32019.0400 81158.2700 29011.6100 8390.3900 41688.6400
3-Amino-2-naphthoic acid 5345.6800 4796.2900 5534.0200 10219.1500 6945.5600 5255.3500 2250.0300 1812.8700 1795.2700 516.1400 2690.8600 2195.6200
3-Amino-3-oxopropanoic acid 2997.8700 1582.9300 1408.8500 2684.0600 4409.6300 3461.5000 4118.8800 4281.4600 1786.4500 3976.3500 3134.3700 4024.4400
3-Amino-5-(3-thiophenyl)-2-thiophenecarboxamide 2289.3200 2396.7900 2315.4300 2272.6900 3145.5100 2465.6100 2784.2800 2860.8100 2694.5700 1970.1900 2530.8100 3254.1900
3beta-Hydroxy lanostane-7_11-dione acetate 2213.1300 3004.6200 449.6600 3542.8700 3359.0500 3094.7300 1054.1500 1167.2500 1111.8300 424.6600 2023.8500 1136.0600
3-Bromo-7-nitroindazole 3175.4600 3276.2300 3069.3200 3958.1200 2485.3100 3059.5400 1547.8900 2002.8700 2209.3600 2077.2500 2511.3000 1319.5700
3-Chloro-1H-pyrazol-4-amine 708.0700 271.9700 412.9400 294.7200 347.5800 318.9500 608.4500 554.8500 907.5400 371.8000 780.0500 337.6100
3-Chloroaniline 2998.9900 2728.0900 2718.4800 2654.0400 2891.7900 2741.4800 2895.4200 2956.9000 3196.2700 2897.7100 3156.0100 3323.6300
3-Decaprenyl-4_5-dihydroxybenzoic acid 23286.4600 16889.1600 18776.4600 15572.4900 19660.5600 15384.2400 1606.9700 24244.3500 11629.2500 16220.0500 6423.5300 8881.8900
3-Dehydrosphinganine 453.3000 534.8200 211.2800 393.1900 374.3300 399.9600 382.1600 225.9000 490.8600 190.3200 208.4300 309.7500
3^-Fucosyllactose 65861.8600 18625.5900 12365.3600 19916.5100 71127.2700 74447.2300 17092.9600 42611.4100 38991.9300 39328.9200 45569.8600 14796.6200
3-Hexanol 13328.9000 10147.3500 7918.3600 15177.9300 6321.5300 10151.3200 22699.3400 7391.6000 4808.2300 8713.7600 10454.3500 7862.0400
3-Hexaprenyl-4_5-dihydroxybenzoic acid 3719.3700 3910.7800 3123.3400 3886.0600 3310.5200 3378.0500 3151.5900 3195.2200 4265.0700 4443.3200 5759.0800 4402.5800
3-Hydroxybenzoic acid 33508.2300 48549.8900 45368.3200 38798.1500 51480.9900 43462.7100 44640.9700 45768.1800 41696.5500 31691.0200 44368.7700 40954.5300
3-HYDROXYDEOXODIHYDRODEOXYGEDUNIN 20559.7200 21790.5500 24399.6000 23427.8600 27271.1300 27741.1600 34859.7400 34577.0200 31135.3600 39480.1900 41933.3300 39255.3800
3-Hydroxypropanal 8663.7600 6189.3200 7829.8300 6593.0700 9107.0700 8926.8500 9265.2600 8315.0200 7056.5600 9148.3300 8565.7400 9474.4200
3-Methyladenine 3212.2200 1425.6400 1547.4300 4264.9500 2768.1400 3509.4000 5026.3200 3199.7300 6454.7400 9056.2400 3461.2500 3379.9100
3-Methylbenzenecarbothioamide 9016.0100 8029.9100 13515.6700 7518.3200 15511.8100 18140.3600 18722.3800 17499.0800 15578.2900 17754.7100 18728.0700 18238.7100
3-Methylindole 2120.9100 1770.2000 2179.7800 1950.4700 2053.5200 2148.0100 2472.5300 2791.0000 2558.8100 2440.0200 2391.5400 2239.2700
3-Methyloxindole 9081.6400 8408.4900 9082.2700 8305.1300 8985.4900 8541.2900 8738.1100 9294.5800 8967.2200 8422.5100 8610.7700 9203.4300
3^-N^-Acetylfusarochromanone 872.6000 471.6200 248.0700 207.5400 1085.3000 322.4300 2623.0000 2052.4600 828.0700 6852.6700 1504.0500 1349.1900
3-Oxovalproic acid 2885.8800 2881.5400 2893.5600 2733.8200 3441.9600 3255.2800 3729.4300 3574.8700 4210.5400 4045.7300 3785.3100 3364.9000
3-Palmitoyl-sn-glycerol 5289.1100 4701.1600 2088.3700 4172.7200 2584.5600 3262.3100 3547.6900 3990.1700 3779.4400 3517.8000 3280.5300 2696.7600
3-(p-Coumaroyl)ursolic acid 867.4400 829.3000 1230.1000 1604.3700 1335.4900 1022.0100 1267.4200 1130.0500 689.6300 566.9900 1716.5300 1684.6100
3-Penten-2-one 403.9300 951.9100 191.7500 1135.6600 405.2400 387.3900 241.8600 266.7100 527.2100 918.1300 884.6600 428.2900
3-Phenylbutyric acid 3295.5500 2070.3200 3879.4400 363.5300 4020.2500 3792.9700 3472.3000 3683.8600 3222.0000 2803.4200 4546.9400 4208.8200
3-Phenylpropyl isothiocyanate 9871.5200 10489.1600 10090.9400 10138.3000 7430.4300 8425.6600 7095.4900 8513.8300 8897.5600 7595.7000 8492.7300 7485.6600
3-Phosphoglycerate 16429.1400 4873.6900 524.0700 294.2200 47242.3500 21088.1400 61149.9900 51955.4900 12547.4100 8870.5500 21998.6000 84567.3400
(3R_4R)-3_4-Dihydroxycyclohexa-1_5-diene-1-carboxylic acid 16373.0700 15322.1600 15932.0400 15697.1300 14609.5000 14912.3400 16169.3300 15422.0400 15303.9200 15865.1400 17108.7800 16476.1100
(3S_10R_13R)-10_13-dimethyl-17-[(E_2R)-6-methyl-5-methylidenehept-3-en-2-yl]-2_3_4_9_11_12_14_15_16_17-decahydro-1H-cyclopenta[a]phenanthren-3-ol 733.4800 856.5100 1918.5700 980.1700 1878.9400 1924.9900 1156.9000 1784.6500 1757.8500 2784.6500 907.2800 1534.4800
(3S)-3-azaniumyl-4-hydroxy-4-oxobutanoate 41092.7400 33989.9500 35322.5100 30741.3600 46185.8400 43570.6400 45253.4300 44180.3300 37166.6900 47406.2700 38324.9300 42210.3300
3-Vinyl-1_2-dithiacyclohex-4-ene 7858.3800 7937.0600 6201.8300 5952.5600 9132.4100 9848.4500 10509.3000 11759.2300 19141.5200 27188.7800 14081.8700 15946.7500
{4-[2_3-Dioxo-3-(2_4_6-trihydroxy-3-methoxyphenyl)propyl]-2-hydroxy-6-methoxyphenyl}oxidanesulfonic acid 11501.1200 20441.5900 13076.7700 21774.1800 5332.3100 8363.5500 4638.6500 5084.0400 8471.2600 2132.2300 9493.8100 9170.5800
4-(2_4-Dichlorophenoxy)butanoic acid 8944.8200 7732.6600 11737.8700 7274.2600 6281.6600 8540.8900 8864.6500 8123.7100 8758.7600 9333.9500 10734.6200 6451.6000
4-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)-1_3-thiazol-2-amine 2185.7300 2343.8000 2248.6100 2691.4000 2364.2200 2792.1300 1892.6700 5130.8500 2254.7500 1805.9200 3118.5100 3584.8200
4-(2-Pyridylazo)-N_N-dimethylaniline 342211.3600 631792.5800 292951.8300 218413.8100 394705.5600 551936.8200 317221.1000 321272.4200 352556.5000 413142.1900 322077.5200 564705.4800
4-(2-Thienyl)-6-(trifluoromethyl)pyrimidin-2-ol 3414.0200 4059.2900 4128.0400 4320.7800 3904.7000 3717.3800 3925.9600 4637.7900 3363.3800 4910.0100 3731.8200 1485.3600
4-(3_4-Dichlorophenyl)-2-hydrazino-6-(trifluoromethyl)pyrimidine 9946.0500 6855.1500 5811.2600 7259.7600 8691.9400 9002.7800 8022.9800 10047.1600 5543.0000 2529.4100 5364.1800 11890.1900
4-(4-(benzo[d][1_3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide 1597.6300 1617.3400 1598.9400 1712.9300 1823.4700 1493.9700 1821.3900 1564.8600 1429.5300 1415.8600 1269.8500 1304.7900
4-(4-Chlorophenyl)-6-(difluoromethyl)-2-(ethylsulfonyl)pyrimidine 1292.8800 2181.7100 2051.7800 1428.0200 2172.8100 1003.7000 1215.9300 16357.7900 1533.7700 1575.3900 1876.8700 1760.9800
4_4^-Diaponeurosporene 25660.1400 8893.2000 2780.0600 1459.1600 1522.8800 2257.9400 117383.2100 1060082.3300 695099.3000 61253.8400 25238.5800 14994.1600
4_4^-Diapophytofluene 5151.7600 5534.4800 5907.0900 5551.6100 5401.9100 4978.6600 4431.5200 4972.6400 5795.1200 3507.5700 4534.6300 4771.7200
4_4^-Thiodianiline 3213.0600 4393.9800 8262.9500 8811.1700 8116.1000 10425.1700 8092.8500 6300.9600 5058.5000 6883.8100 11251.1200 9846.2400
4-(5-(3-Hydroxyphenyl)thiophen-2-yl)-2-methylphenol 2836.1400 2976.7900 1676.5600 2537.5400 2337.0400 1393.6200 2110.8100 1859.7700 1703.2300 625.6300 2064.4500 2646.4500
[4-(5_7-dihydroxy-6_8-dimethyl-4-oxo-3_4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 15760.4300 25940.1100 44865.2100 60043.7400 11080.4300 13663.1300 6676.6400 9476.5500 7778.7800 8364.6100 13187.9500 5904.7000
4-(5H-Dibenzo[a_d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-piperidine 14532.4200 14083.7000 12931.2600 13914.8700 12899.2600 12259.4700 12513.1000 13705.2300 14792.6300 13017.6400 14557.1200 14027.1400
4-Amino-5-hydroxymethyl-2-methylpyrimidine 38053.8400 39757.7900 39554.6000 40307.9800 43220.2200 81855.1100 45219.7500 45127.7100 44930.1600 55112.3500 64369.3200 51164.7400
4-(Aminomethyl)pyrimidine 2370.5600 2908.2400 2694.5100 2894.7400 2612.4300 2134.2400 2537.8300 2359.6900 2145.8900 1891.5400 3264.8500 2575.1900
4-Aminophenol 3727.3700 4488.2400 3566.0500 5178.0100 4650.1300 4217.3300 4094.3800 3662.9400 3926.7500 3174.4700 3633.8500 3179.0100
4-Aminophenylsulfur Pentafluoride 271304.9500 395967.0300 464412.6300 476947.2000 92488.6000 175483.3800 109307.5900 130681.5500 161724.7200 143953.5500 169300.6600 102158.4600
(4aR_5S_8aR)-5-[2-[(1S_4aR_8aR)-5_5_8a-trimethyl-2-methylidene-6-oxo-1_3_4_4a_7_8-hexahydronaphthalen-1-yl]ethyl]-1_1_4a_6-tetramethyl-4_5_8_8a-tetrahydro-3H-naphthalen-2-one 108375.0900 126053.1600 100969.2500 150926.6100 109408.0900 103936.3200 101639.4500 94517.4200 115680.9700 84406.9300 95790.8600 96244.9300
(4aR_6aS_6bR_12aS_12bR_14bS)-2_2_4a_6a_6b_9_12a-Heptamethyl-1_2_3_4_4a_5_6_6a_6b_7_8_8a_11_12_12a_12b_13_14b-octadecahydropicene 2618.5000 2614.7200 2731.8700 3127.1700 2744.5900 2466.3900 3054.8500 2717.6800 2373.1200 2424.2100 2776.4500 2492.9800
(4-Bromophenylsulfanyl)pyruvic acid 3308.0600 3750.8100 4032.5500 3680.8400 3633.4100 1925.0000 3834.5400 3579.7400 3341.2500 1921.2900 3332.7600 3484.5500
4-Chloro-1_1-dioxidotetrahydrothiophen-3-yl acetate 2418.8900 1937.2900 7831.4200 1938.8500 3790.0600 2030.4900 2987.2600 1909.8400 2127.2000 2787.9500 7127.9600 5998.4900
4-Chloro-3-nitrobenzoic acid 744.1400 4951.7800 7438.4500 5605.3600 1613.1500 70.4100 1812.5500 1606.3100 42.4500 190.2400 865.9200 2920.9100
4-Chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1_2-benzisoxazol-3-yl}benzene-1_3-diol 21.4500 5.7600 852.4800 1801.5700 5.9800 258.1300 35.2400 100.6300 233.6100 8424.5400 254.1800 155.9400
4-Chlorobenzenesulfonamide 14902.0900 9855.1400 16313.4000 5686.6300 11444.6900 13116.5400 11016.7600 12795.3800 13122.4500 14795.4000 11042.4700 10711.2900
4-Chloronitrosobenzene 5938.6600 7835.5100 8936.0800 8599.3100 4494.2900 4965.6100 2907.6300 3877.0300 3894.8400 2171.3700 2964.6000 3813.9200
4-deoxy-2-O-sulfo-beta-L-erythro-hex-4-enopyranuronosyl-(1_4)-D-N-sulfoglucosamine 6-O-sulfate 9955.5500 1902.2600 12997.2600 6889.8700 782.7700 7740.8000 4188.5200 4771.6300 6612.4600 5376.6500 6743.1400 2881.0200
4-Dodecylbenzenesulfonic acid 1708.5800 1280.3800 1291.5700 1181.4800 2142.9600 926.6100 2764.1100 1895.7600 1512.6800 846.3800 1415.6500 1325.7300
4-epi-11-nor-Aristola-1(10)_11-diene 258750.9400 1493947.1700 1605152.4600 1519053.8000 1436872.1700 1481422.7100 2772431.6900 1653699.3200 1475875.4500 1570065.4800 1717233.6300 1614433.6000
4-Guanidinobutyric acid 6535.8200 1579.1200 603.6400 1474.5300 4490.4500 5580.8700 3427.5900 4007.0800 2186.1000 1952.7700 3304.0800 6206.3200
4-Hydroxy-3-methoxycinnamaldehyde 20104.4800 21233.0700 19502.2100 20637.4900 23797.3300 22362.7300 24919.9200 24212.6200 26352.9100 27089.2200 23525.0900 23388.7800
4-Hydroxyamphetamine 6410.3200 5259.0200 10891.7900 8064.5500 13115.6200 12761.4300 15340.9300 14170.0200 16167.9200 11536.0800 15374.0500 14784.2600
4-Hydroxybutanoate 451.1400 457.1100 537.3500 514.5800 634.4100 468.3100 601.3200 1000.4200 1176.9200 1341.7800 1286.8000 1254.3400
4-Methylhexanoic acid 15135.8000 16154.0100 14508.3500 14210.0200 14244.3600 13810.4200 14310.5300 14781.5600 15842.2600 15219.9200 15903.5400 14031.6400
4-Methylthiobutanaldoxime 821.8800 1530.4300 1300.4100 1534.1600 673.4000 1242.8700 554.9400 734.8100 829.4300 366.1500 1400.9400 1199.9200
4-Methylumbelliferyl glucuronide 15308.5300 7837.5100 8023.7400 8573.7100 10296.3600 14983.9400 19047.8100 10387.0700 6557.9400 15228.9100 6424.2400 15061.5000
4-O-hexopyranosylhex-2-ulofuranose 87071.7000 66679.1300 57657.2200 56863.4800 241121.6100 126990.7300 96767.4000 138490.3000 139530.8700 125845.6800 190012.9500 62385.5800
4-Pentenoic acid 6494.7300 3604.0400 4835.8400 4510.2900 10279.3600 7868.0400 4228.9200 4334.7100 3141.1300 3563.3200 2939.9300 2609.9200
4-Pentyn-1-ol 19551.7700 27198.5500 28270.6800 27533.6500 18080.4100 27494.9700 26514.3200 25666.4400 27062.4800 26257.6100 26514.4400 20233.6400
4-phenyl-3_4_5_6_7_8-hexahydroquinazoline-2(1H)-thione 4972.6100 7091.2900 9016.7700 9166.3600 2516.6000 3729.9400 3041.4100 3258.8800 5522.0500 2344.4500 4455.1300 3368.0400
4-Phenylquinolin-8-amine 917.7400 1665.7000 1137.7700 1645.5600 1544.6000 1561.1300 1759.3300 1825.5800 1649.0300 1275.3700 1420.0800 1588.3400
4-Propylphenol 47305.0300 45615.3900 57263.5900 60991.9300 58437.7900 73007.8800 63989.2700 54554.5900 49543.8100 57385.6800 76208.9900 73010.1200
[(4S_5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphono hydrogen phosphate 26372.8600 30690.5800 35220.9200 32379.6900 15496.5400 22531.5800 16299.2200 19448.9200 22731.5000 17006.5400 19868.7500 17020.6900
4-tert-Butylbenzoic acid 7241.8500 16277.1400 6891.2500 24028.8700 5997.9900 6608.3500 6630.4300 6395.1800 10348.1400 25035.9800 6140.1400 7353.7700
4-(Trifluoromethyl)pyrimidine-2-carbaldehyde 45730.9200 76232.1900 241478.8500 248520.3600 140428.8500 40103.5500 38674.2500 28903.0200 47343.5000 41512.2400 150532.7800 34270.1800
4-Vinylcyclohexene 2127.9800 2770.4600 2186.9500 2120.1400 2099.2800 2893.4800 3130.4800 2669.1800 2714.2400 2147.2600 2268.0600 2542.0300
5-(3^_5^-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl 3514.8000 3048.4300 3262.8700 3482.9800 3230.5600 3221.8100 3153.3700 3490.4600 3370.6200 3024.4400 2954.6500 3144.3200
5-(3-Buten-1-ynyl)-2_2^-bithiophene 11227.1800 9337.9800 14115.3700 10519.0200 5844.2000 7706.8100 5316.0900 6562.7400 6838.1100 6302.6700 6594.8300 5834.3100
5_6_7_8-Tetrahydro-2-naphthoic acid 24650.7500 25467.6500 24932.2800 24035.0400 19740.0000 22942.8600 22298.5300 19433.4900 19008.7900 21975.6300 22844.0000 17266.0000
5-(7-Acetyloxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01_7]tridec-3-en-9-yl)-2-methylpenta-2_4-dienoic acid 4776.9200 7993.4500 4170.1900 7345.4800 19504.9000 4574.2500 3725.8200 3198.8000 3210.6600 3460.7000 4145.5800 4169.4300
5_7-Dichlorokynurenic acid 2985519.2200 4021680.3300 4533926.9600 4519286.5200 1265514.6000 2314972.1400 1380074.9500 1806893.6800 2327591.3800 1603846.1400 2282826.2100 1569211.8100
5_7-Dimethoxyflavanone 1.7500 3.7300 5.3900 0.9500 1.9700 0.6800 8.1900 1128.9200 5.2300 3.9900 124.3600 6.9200
5_7-Dimethoxyflavone 3.7400 16.2900 40.6200 49.8700 7.2900 55.4500 73.8900 6174.4900 11.7200 70.0900 259.4100 155.5900
5-{9_32-Dihydroxy-6_10_13_19_20_32-hexamethyl-27-methylidene-33_34_35-trioxa-22-azahexacyclo[27.3.1.1^{1_4}.1^{4_7}.0^{12_17}.0^{17_23}]pentatriaconta-10_13_22-trien-14-yl}-3-methyloxolan-2-one 2463.5000 2017.9600 2018.6200 2859.4300 2017.3300 2166.6500 2696.2900 2001.7600 2102.6300 1796.6600 2694.3000 2668.9000
5alpha-Campestane 25884.2300 2435.3300 28601.5700 7381.7600 10956.4400 4669.4200 4131.3200 3218.1500 5699.6300 3029.5500 3577.1600 1413.1500
5-Aminopentanoic acid 3206.3300 3182.8600 3820.7400 3235.0000 4383.9700 3947.9900 3246.1000 3483.9800 3517.9100 3584.4200 3715.0500 3231.6400
(5-bromo-2-oxo-1_2-dihydro-3H-indol-3-ylidene)propanedinitrile 2067.5400 2635.5700 2538.1300 2144.8600 2250.1700 2420.1300 1925.9200 2403.7400 1357.6300 881.9800 2183.7000 3131.2600
5-Bromo-4-(trifluoromethyl)pyrimidin-2-amine 2655.2700 3240.0600 2627.6200 2203.9900 3047.9100 2386.1800 2935.0900 3400.8100 4500.1600 1816.4900 2455.9100 6954.1100
5-Bromo-7-methoxy-1-benzofuran-2-carboxylic acid 4367.6500 4345.2700 3911.9900 3564.4600 5540.3600 4616.9000 4615.4000 4921.9100 3669.8300 3534.6200 4168.4200 5035.2200
5-Chlorohydroxyquinone 6262.4500 6317.7500 5921.0500 6654.5700 4047.8000 5371.1600 5349.5900 4435.8600 4798.1800 5636.6000 4828.3900 3030.8000
5-(Diphenylphosphinyl)pentanoic acid 146590.4800 147333.8500 155952.3800 157055.0400 104809.7500 117886.0500 102020.9800 115950.1100 133401.6400 115653.9600 123494.8000 101823.2400
5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone 12.0500 7.4500 6.4400 3.5300 2.0400 6.1400 7.5800 3.6200 3.6200 10.5500 8.7000 3.4600
5-Hydroxy-2-oxo-4-ureido-2_5-dihydro-1H-imidazole-5-carboxylate 15897.2900 15666.8400 15217.4300 12895.7300 14967.1800 13686.9400 9637.4200 12048.5600 11262.9600 12583.7700 11875.1000 10937.1400
5-Hydroxyhexanoic acid 3957.9200 4423.5500 3988.1700 4427.7500 5567.8900 4925.2100 5352.1300 5464.7000 5324.3000 3912.6600 5419.9000 6075.9000
5-Methoxy-N_N-diisopropyltryptamine 5835.1800 6299.2200 6543.3500 6949.2500 7724.0700 6982.8400 4772.0200 6975.7600 5263.2200 5299.9800 6375.8100 6243.9100
5-Methoxytryptophan 1414.9100 1296.9100 1421.1100 1276.6000 1851.1500 1962.0700 1900.3900 2187.9900 2400.2800 2300.5500 2018.8000 2083.4100
(5-methyl-2-methylidenehexyl) (Z_2S)-2-hydroxy-6-[(1S_4Z_6E_9R_11R_12S_13S_14E_16Z_19E_21R_23R_24R)-11-hydroxy-24-(hydroxymethyl)-12_15_24-trimethyl-3-oxo-2_22_26-trioxatricyclo[19.3.1.19_13]hexacosa-4_6_14_16_19-pentaen-23-yl]hex-4-enoate 137.1300 84.4300 137.9800 61.6900 218.5400 253.5800 241.6100 185.3100 638.1200 431.8400 671.3800 752.7000
5-Methyl-5-hexen-2-one 2947.3000 3125.0800 2969.4000 2818.5500 2706.5400 3083.3500 3273.6200 3029.4400 3384.9600 3672.7900 3449.4400 3416.3100
5-Methylthiopentanaldoxime 1603.7000 1461.0200 1410.9000 1549.5200 1653.0900 1606.9700 1184.6100 1593.5700 1666.5100 1735.0800 1345.1600 1547.7600
5-O-Methyllicoricidin 978.4500 1423.3900 357.8300 2608.3700 1347.4800 1905.6900 94.9100 480.8200 994.9400 675.0900 2914.5500 2068.5700
5S-Hydroxy-6R-(S-cysteinyl)-7E_9E_11Z_14Z-eicosatetraenoic acid_ methyl ester 1687.0300 4098.8000 1604.9700 2133.5500 2047.4600 981.5000 1526.7200 1213.4900 2917.0900 1211.2000 660.9900 1955.2700
5-Sulfamoylfuran-2-carboxamide 23607.3100 10127.6100 12850.6900 19383.8600 13805.6200 15108.0900 10935.2200 9910.4200 13509.2400 13149.9900 8016.8700 18011.3100
5-[(Z)-(5-chloro-2-oxo-1_2-dihydro-3H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2_4-dimethyl-1H-pyrrole-3-carboxamide 900.5100 938.9200 1356.3100 1568.0500 1554.7000 1181.6900 2057.6300 2301.6600 2315.2200 2657.4100 2827.3400 2736.6800
6-(2-(2-Methyl-1H-imidazol-1-yl)ethyl)-1_3_5-triazine-2_4-diamine 1311.9100 1296.4200 1152.9800 1156.7600 1319.9600 993.7900 1102.9000 1344.2100 1293.6500 1021.1300 1224.9300 1153.5000
6-{[2-(3_4-dihydroxyphenyl)-7-hydroxy-4-oxo-6-[3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}-3_4_5-trihydroxyoxane-2-carboxylic acid 2513.9400 2313.3000 2461.5900 1767.4000 2336.1300 1885.4100 2532.9500 2505.7300 2388.7100 2436.1100 2071.1300 2151.1500
6-[4-(1-cyclohexyltetrazol-5-yl)-4-[(2-oxo-3_4-dihydro-1H-quinolin-6-yl)oxy]butoxy]-3_4-dihydro-1H-quinolin-2-one 2489.9200 1177.0100 1534.4200 1176.7200 864.9800 2498.8000 2250.3600 3164.4600 2620.8200 1925.5700 2010.2100 2308.6500
6beta-Hydroxydexamethasone 2267.6500 2235.6300 2063.8000 2096.3200 2430.3300 2043.4100 2173.8600 1945.5900 2105.5600 2018.0000 1622.9400 1521.0500
6-Hydroxychlorzoxazone 23686.2100 32088.1500 28539.9500 25161.2100 22387.6500 22123.4800 32862.1100 18426.0600 21769.2200 17130.1500 24583.4300 23056.2500
6-Hydroxyflavanone 237.7900 177.5700 333.9800 4428.3200 104.9700 80.6100 62.7300 78.6700 19.4300 445.3600 884.9800 170.0100
6-Methyl-5-hepten-2-one 74030.1200 117549.3200 91348.3000 77102.2000 95954.0800 110574.3900 128060.0800 128593.8800 107617.0200 86653.4300 98263.5200 102918.5000
6-Methylcoumarin 12754.2600 13923.6900 12895.2700 13930.7200 14822.9600 14796.7100 16352.2700 15942.0200 17549.5700 17668.8800 15973.1000 16023.6500
6-Phosphogluconic acid tri(cyclohexylammonium) salt_ Grade V 489.0400 1589.2400 1566.0300 1279.3800 1188.3600 2134.1400 1195.4700 854.9300 2245.8900 2483.6200 1906.2600 1543.2900
7-[(2R)-3-hydroxy-2-(3-hydroxy-5-methylnon-1-enyl)-5-oxocyclopentyl]-3-methoxyheptanoic acid 394.2400 356.7400 461.4800 346.5500 132.0400 174.2100 263.1300 297.2200 456.9000 287.4400 445.2000 312.6400
7-[3-(Dimethylamino)propoxy]-6-Methoxy-2-(4-Methyl-1_4-Diazepan-1-Yl)-N-(1-Methylpiperidin-4-Yl)quinazolin-4-Amine 1250.2000 3338.0500 1007.8400 3851.0100 3326.3200 2507.6700 1197.6800 1362.3200 1122.9000 1407.9400 900.4900 1636.0100
7alpha-Hydroxycholesterol 12208.2700 10217.4200 23649.9200 25997.9900 14827.8100 43319.8200 14614.7700 14585.0100 36117.0200 12388.4400 7543.8600 13422.5400
7-Chloro-3-methyl-3_4-dihydro-2H-1_2_4-benzothiadiazine 1_1-dioxide 23776.7100 23394.5700 25848.9700 20075.4900 27959.5400 23893.9000 23583.4700 23117.9800 26920.4800 24216.8100 23965.6800 27097.7100
7-Chloro-6-demethylcepharadione B 2732.0800 2630.4800 2823.1700 2974.3700 3011.9700 3432.1700 4018.2800 4063.3900 4873.6800 5043.6000 5462.3600 5651.7000
7-Ethyl-10-hydroxycamptothecin 4443.2300 4774.3400 4466.5500 4744.4700 4033.4700 4185.1600 3590.9600 3679.3900 3541.8700 2435.1600 3186.3400 3392.6800
7-Hydroxywarfarin 1911832.2800 1670293.7000 1838746.5600 1731801.3800 1825379.2300 1613215.1300 1791406.0200 1757571.9900 1688972.7600 1584204.1000 1739384.7200 1736715.8900
7-nitro-10-octyl-3-phenyl-pyrimido[4_5-b]quinoline-2_4(3H_10H)-dione 230.6800 666.5100 106.5200 216.5900 7582.4600 34.9900 6.9600 2.6500 5.5500 4.3900 388.4200 2074.8100
7-Nitroindazole 1854.9700 1647.2600 1670.4800 1537.8800 1738.4800 1627.3900 1787.9900 1877.7400 1541.9600 1334.4000 1616.9600 1730.9600
8_11_14-Eicosatrien-5-ynoic acid 2236.0500 2634.6800 2380.1000 2680.9400 2263.9200 3325.6800 2362.0600 2035.1700 3546.4700 3210.4200 2820.4000 3766.7600
8_12-iso-iPF2-VI 1_5- lactone 1083.0100 1081.9700 1200.4300 2920.1800 2740.0500 1215.0600 476.2000 1797.2100 661.7600 462.7700 1262.3100 791.8700
8_9-Epoxyeicosatrienoic acid 40141.7200 43740.6500 17794.9700 52057.2600 43010.6600 46644.7200 41126.1900 56502.2300 28362.7900 47200.6900 23615.1400 47480.3800
8^-apo-beta-Carotenol 5587.6200 6860.5300 5768.3900 7456.4100 5274.4600 5505.0600 6206.8800 5271.8300 4796.0600 4590.5200 3719.8400 3490.1900
8-Chloro-6-(trifluoromethyl)-[1_2_4]triazolo[4_3-a]pyridine-3-thiol 5485.0400 5731.2100 7774.1700 4885.4400 3117.9700 2888.4000 725.4800 4036.0400 4863.3400 2767.6300 2962.0200 6416.6400
8-Hydroxy-8-(2-pentyloxy-phenyl)-oct-5-ynoic acid methyl ester 4197.8600 2735.1800 3128.9700 3185.4200 2910.5800 5284.8300 1714.2000 1725.4200 3164.1700 1326.8700 2768.6200 3030.2100
8-iso Prostaglandin F2d4 4166.6000 2992.8600 2902.1700 2913.7300 2242.8300 2426.7800 4265.4200 5447.5000 3771.8800 3050.1000 4397.5300 5013.1300
9(10)-EpOME 3246.3100 2776.0300 2781.2600 3123.0200 2147.7700 2435.1500 3694.6000 3621.3300 3819.8700 3240.3200 3595.7600 4361.4900
9_10-Epoxystearic acid 1886.4600 3657.5800 3010.6600 2202.0800 2716.9300 2112.4600 1660.5000 2186.2400 1793.5000 1447.4800 1924.2900 2319.7900
9_10-Phenanthrenequinone 9736.6500 9358.1200 5370.7200 10152.2700 11483.2200 11766.6200 14886.8900 15623.8100 18718.7900 19366.2200 18491.7300 18978.3000
9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one 14969.9700 15298.5100 14774.2100 17950.7100 13312.3300 15444.2800 18320.8600 18645.8800 17913.6400 15368.6200 18063.7600 7970.3700
9-Hydroxycalabaxanthone 1216.9400 5971.4400 983.8700 2334.4400 14121.8800 168.3600 673.6700 106.9900 538.2100 27.0600 38.6400 75.4700
9-Octadecenal 2504.7800 5227.8800 2411.0900 2937.0000 2611.0300 2654.3700 3775.9000 3261.4200 3253.0200 2494.6400 3887.0900 5747.1100
9-oxo-11R_15S-dihydroxy-1a_1b-dihomo-13E-prostaenoic acid 1568.5100 1375.3100 1618.1600 1856.7200 1606.0600 1221.8100 1389.2300 1154.6700 923.2200 1106.1700 2107.2600 1871.5000
Aceclofenac 7216.9000 6157.3300 6801.7300 6686.9700 6753.1400 11435.7300 9263.3100 9695.8600 12393.3600 12171.7300 14229.7900 14224.9000
Acetazolamide 24694.0300 6197.0800 397.4200 284.5800 92097.8400 38143.5600 118187.1800 99735.1800 20085.7300 15676.2900 39720.4300 176598.4900
Acetic acid 52880.5900 49177.9200 51021.9800 42647.7900 49036.4400 47238.5500 42232.4100 55596.4500 45661.4100 59441.4900 51033.8400 51209.2900
Acetophenone 7064.4000 8792.7900 15927.6200 18718.0700 16299.3800 20164.7500 15602.2000 13372.5900 10643.8200 12991.4400 21861.3000 19029.2100
Acetoxyacetone 1120.5900 716.8900 1689.9500 808.8800 2136.0300 2307.7200 2334.5300 2187.5800 2152.6200 2043.6000 2096.5100 2391.6600
Acetylcholine 2345.0900 2374.7300 3084.9100 2201.1400 3282.6900 3487.0400 3978.8200 3492.4000 3245.8100 3617.2300 3611.0200 3646.9900
Acetylglycine 2201.1800 1715.2700 2438.6700 2019.2100 3032.8800 3504.7300 3449.9300 2896.4200 3000.6800 2813.1400 2857.0900 3261.4600
Acetyl-L-carnitine 7236.1000 12213.9500 14079.3300 11703.9200 15298.8200 18905.4100 19800.6900 16832.8600 23204.2700 59763.5600 17923.0900 14650.9200
Acetyl sulfide 265.8500 318.9400 1488.0900 215.2700 241.7600 222.4600 268.5500 225.7500 1053.8400 475.1800 562.2100 264.6100
Acrylamide 20319.6300 17605.5600 17067.0000 17976.0600 16036.4200 16900.8300 18146.5100 16912.9700 17249.4400 16917.2500 17049.2200 17272.5500
Actara 23701.8500 18849.1400 20009.2400 16152.7200 25268.2500 23707.4300 25180.5600 23876.5400 22185.4500 29719.0000 22496.6000 24185.4100
Acylsucrose S4:17[2](2_5_5_5) 848685.8200 944019.9400 1447269.9800 963250.8700 978010.0300 1052596.5700 1061693.3000 1023992.9700 1112650.5100 1092727.0100 667930.4800 984964.1500
Adenosine 10575.1700 13877.1300 14711.7200 16139.6700 14031.0600 17431.3900 7282.8400 6245.1000 11253.9100 4074.9000 9780.1900 9380.4400
Adenylylselenate 8351.9500 13386.3200 17366.3200 16405.4700 3391.4600 9489.0400 5539.9600 5564.7000 7605.9200 3684.0200 8204.2600 3660.7300
Adrenoyl ethanolamide 9532.8300 14184.2000 24932.2700 38356.1800 10745.4800 11442.5100 14857.8200 14952.6300 15096.5900 22728.2900 27272.2000 25478.5100
Ala-Leu-Val-Lys-Ala 506.5400 437.9200 321.5800 248.5700 829.3700 817.4200 56.2300 170.2700 40.7500 318.4300 60.6200 47.8000
Ala-Ser-Ser-Thr-Lys 5789.1300 5976.5400 6430.5500 6206.5900 7206.4300 6801.7400 8003.7700 7323.2100 7821.6200 9007.9400 9413.1600 8739.9600
Ala-Thr-Ile-Lys 2276.2300 1922.3700 2055.5100 2350.4500 3508.9600 1727.1500 2193.0900 1687.2000 1679.2400 1388.5000 1897.6500 2266.6400
Ala-Val-Ala-Ile-Gln 5781.0800 4290.4100 4319.9900 4311.9200 1516.1000 2812.0300 2081.0900 4135.3500 4400.8400 2073.1700 4983.0200 6345.6500
Alendronic acid 13612.7100 12540.4800 11727.4700 11514.3000 14447.3300 13498.5900 13146.7600 14181.2800 11759.9000 15356.1800 12149.8700 13847.2300
Alfentanil 716.3900 1414.6400 686.6800 3266.3700 3342.2300 1614.9900 1338.5700 2536.6400 3218.7700 569.3600 2766.3800 1150.2600
Allantoic acid 7119.8100 1436.0800 1413.4500 1441.1700 1307.7200 1367.4500 1211.0400 1265.0200 1397.9200 2407.0000 933.9200 1229.0400
all-trans-13_14-Dihydroretinol 4730.8600 5280.2800 2346.7400 4638.3200 5434.9200 7416.6300 8553.9800 4852.3900 5219.4600 5472.2800 6273.8700 8414.5400
all-trans-Carophyll yellow 863002.3900 952917.6400 830547.9800 1084830.5100 822984.6300 809116.0600 934282.5800 811483.3200 910518.0600 819705.7300 839098.1100 801554.4200
Allyl methyl sulfide 45458.7100 67159.0500 68035.0000 70205.7100 30059.6000 43178.3900 28985.0500 33936.3500 39060.3500 22861.7800 45122.3100 40591.9500
Aloesin 16574.9500 3953.0500 15126.3200 80951.6400 9961.8600 4472.9600 1445.9700 2599.8500 2939.3800 8342.0400 21855.5600 15718.2400
Aloin 1237.4700 449.8700 1147.9200 11245.9000 283.8700 106.9400 40.0900 145.7300 51.9400 1297.9200 2364.9900 744.7100
alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-D-GlcpNAc 3635.8100 5053.5000 1202.1300 7055.9900 3359.1000 5899.0100 1580.5300 1517.6600 3833.0600 2341.0200 9626.3500 5936.5900
alpha-Sanshool 7644.7300 8000.2800 5405.4200 7602.4300 5118.1700 6085.4100 6173.8000 10125.6500 6780.6700 4418.2200 7724.3800 7142.4100
Alprenolol 3466.4900 4273.0300 5774.0700 5991.0900 6231.2800 5066.2700 6014.5700 5480.6300 5257.3000 5597.3700 5916.6400 6901.6400
Alternariol 4636.8000 5990.4500 4811.5000 4216.5700 5088.7700 5883.9800 6667.4700 6781.7100 5943.6000 4011.0800 4787.1600 5465.7200
Amantadine 27532.5000 26348.7500 25803.2400 24148.4800 26776.5100 25029.9100 25946.7900 25319.1000 24799.7100 23217.1200 24641.3500 23363.9700
Ametryn 10723.0500 4915.5800 4402.6300 4152.6000 10628.0400 7796.9700 10306.4000 10523.5300 5412.4700 7270.7600 6101.9900 14350.0300
Ammodendrine 2530.6300 2541.8500 2656.2700 2617.7700 2447.4000 2429.8100 2462.4200 2471.0200 2359.7600 2730.0300 2698.4800 2695.3600
Ampicillin sodium 1927.0500 1564.3100 1798.0200 1735.8700 1519.7900 1827.6700 1856.2100 1537.5800 1571.5300 3202.0300 1355.9500 1269.2400
Androsterone 1254.3300 1806.9200 1928.1300 1152.3100 1731.1600 1544.9800 1504.9400 1521.4400 1773.4300 1587.2200 1829.3600 1502.8900
Aniline 16894.1300 16991.7000 16689.8700 16791.2300 16145.4400 15357.9200 16407.3400 17331.0700 17921.1400 15476.7800 17288.2800 16098.0400
Annomutacin 8866.7000 11845.9700 14168.2200 9843.2300 15735.5500 24643.6100 20361.8000 19144.7600 20921.8000 18392.9200 21485.1800 26607.7500
Antanapeptin A 3669.7700 2450.5900 3337.6800 2463.5200 4706.4700 5233.1700 3582.3700 4841.4500 3369.7300 2258.0900 4855.1900 2722.4700
Antibiotic KM 208 1517.5800 1940.9300 2171.9200 2575.5900 2076.6600 1760.7200 1829.4000 1583.9200 2545.3600 2424.3200 4135.2200 2393.2300
Apixaban 451.3700 500.3800 312.4100 8916.3000 18.3300 17.8200 4.6600 12.8600 3.3000 2.9100 355.0900 430.0000
APMF-Glu 22029.1600 5913.8100 17547.4700 16895.9300 13744.0000 24257.9800 20856.9100 21288.8300 20314.3200 16213.4800 19064.0200 19451.3400
Arachidonic acid-biotin 1702.7500 1208.7700 1602.0900 2072.8600 2155.7000 1767.7300 644.4700 915.7400 465.3000 459.3500 1603.6000 403.1100
Arachidoyl glycine 1810.1100 12958.0500 35963.9500 8174.3500 10305.5100 2520.8500 13764.8800 13693.8800 7053.2800 13914.5100 29107.5800 20621.5100
Araliacerebroside 23.6100 59.9600 80.1800 145.6600 238.0400 132.6300 3523.5000 643.9700 4925.3600 12620.5500 17185.7500 22822.9500
Arg-Arg-Lys-Ser-His 455.0400 463.6900 999.2000 892.0800 5421.3300 850.3500 73.5700 73.7100 102.5100 352.1600 285.6900 77.2300
Arg-Asp-Arg 4833.4100 4323.8200 3992.5200 5189.6300 4663.3800 5066.3300 4682.1800 4984.4000 3914.1500 5064.9900 5821.9900 5496.0800
Arg-Gln-Arg 942.5800 2914.4600 2021.8400 2850.4300 1260.9300 1018.2000 1523.6100 1698.6700 561.7900 270.7900 1068.7700 1987.4100
Arg-Glu-Ala-Phe-Arg 1616.0600 2131.6600 876.2900 1843.7000 2817.2400 2796.5100 634.8600 2328.1900 964.3900 686.7700 854.4100 603.5800
Arg-Ile-Ala-Glu-Glu 6076.5600 5130.2300 8393.4700 6160.6900 4112.5400 5118.2300 6125.2400 6539.0000 6863.1700 6234.7200 10320.2500 10170.8500
Arginine 3602.5400 3777.4600 4372.1500 3905.1900 4059.3600 4025.5100 4409.5800 4180.2000 3747.0700 4277.6100 4385.7900 3795.1900
Arg-Leu-Leu-Asn-Leu 3181.3600 2738.6600 1932.9200 2115.9200 1895.0900 325.0200 1883.5600 2010.8800 1064.1100 1509.4100 1377.6600 645.7200
Arg-Lys-His 2310.2000 6818.3300 4288.8200 12743.1900 4511.7400 3471.0400 1069.6400 2542.6600 3261.8400 1444.2100 3151.9600 2634.4500
Arg-Met-Met 711312.5000 634190.3800 780933.6700 779552.0100 763441.6500 900364.3000 819178.6500 751373.0100 688402.5200 767456.0800 942524.6200 911742.3000
Arg-Phe-Arg 10590.8600 13586.2500 13902.3200 11461.3100 18661.9000 13586.7000 10847.2500 9358.2200 20215.4300 7122.7200 12879.5000 11581.9900
Arg-Thr-Ala-Arg 1684.9200 1260.1800 1741.7700 1053.5400 2016.3500 961.7700 1617.5900 1138.6800 1104.5800 588.0700 1299.1200 1431.6600
Arg-Thr-Lys-Arg 172887.3500 128486.7400 175940.4400 140273.5000 61845.0700 115566.9800 104621.7500 126502.2300 133231.8400 88834.9900 190362.1600 228420.7100
Arg-Val-Asn-His-Val 430.5800 578.2400 391.1400 2042.7600 1280.1600 347.3000 311.0900 127.8900 391.1800 1069.5400 23.9900 184.4800
Arg-Val-Phe-Asp-Lys 717.8100 1566.4000 528.8000 1910.0600 1776.6400 1620.7600 677.4200 1334.9400 2820.9100 919.9800 1515.1600 550.3700
Aromatized deshydroxy-C-1027 chromophore 196.0300 307.2400 31.6300 349.6900 142.1900 234.0900 2495.0400 198.0900 504.5000 1744.8400 619.3300 122.2200
Asn-Arg-Gln 21135.0600 17138.8500 19762.7200 24182.9900 21068.2500 31083.9000 20014.7600 25555.2800 20297.0600 14976.7100 19013.8800 19263.2300
Asn-Arg-Glu-Ser-Leu 1322.9900 917.5600 1046.4300 476.7700 362.6700 351.2500 587.8900 893.6100 909.4500 453.5100 2175.6800 2314.5700
Asn-Glu-Lys 1181.8100 1396.3400 1791.5300 1191.6400 1600.7400 550.1200 1052.7400 1117.9800 1356.4200 707.1400 1252.5000 1424.1500
Asn-Gly-His 2324.5400 2315.7100 4122.1400 231.9600 3493.3500 4001.2200 2933.7800 2934.9900 6303.6000 4605.9300 4624.3600 1083.4600
Asn-Leu-Pro-Ala-Lys 481.3700 478.0100 413.8700 1204.7400 668.3900 915.0800 300.9800 752.4700 1346.8000 184.2400 265.2800 440.5700
Asn-Phe-Met 8931.1400 9830.0600 15205.9200 19931.4600 15261.4700 18558.5300 14030.4600 12714.2100 11278.9600 13077.6600 18297.2200 16106.3200
Asn-Tyr-Asp-Arg 214.1100 3.9400 43.5600 3.4200 1131.7500 3.5600 87.7500 36.3500 86.2400 1397.4400 8.0000 3249.5300
Asparagine 4162.0600 5004.7400 4578.1600 3939.6500 5595.7900 5056.1000 5381.5800 5038.6200 5428.9300 4756.1900 5565.7700 5170.1300
Asparagylalanine 1477.0300 1109.7500 1168.6600 1906.7300 3941.2300 2652.0300 1268.8900 1971.3100 1258.5200 776.4000 1636.3000 1138.1100
Asp-Arg-Gln-Arg 10460.8200 8773.4100 9223.7600 12981.7600 6601.2700 11205.1400 8512.7000 7375.5000 8350.7600 5826.6500 9557.0800 11704.7700
Asp-Leu-His-Ala-His 3852.8600 3497.3500 4183.8100 3650.9100 2523.0600 3084.3100 2858.0900 2978.4400 2767.4700 2411.2900 3589.8300 3712.6000
Asp-Leu-Met 11595.4000 11964.2500 12296.0100 11092.3600 10166.0500 12341.5900 13753.1300 14236.8300 10159.5900 15273.7500 12313.3100 11674.3600
Asp-Trp-Tyr 7175.1300 4318.8900 3648.9000 3292.8100 28084.7900 15404.6200 30691.0300 16447.1200 10226.4400 22415.2700 17645.8300 17817.3400
Asp-Tyr-Asp-Asn-Phe 3110.2600 2693.2300 3584.5300 2763.0300 1870.9000 2164.2800 2728.9300 2836.8600 2599.2200 2260.1200 3935.6000 3717.5300
Avenoleic acid 7529.8300 6653.9000 7606.3900 7626.9200 8362.6700 7453.3000 7130.5600 5335.1000 5358.3100 3459.0500 5544.7300 6334.6600
Azacitidine 191401.4000 176811.8800 192281.4500 183589.8000 147361.3300 165107.9900 138286.8800 162318.0400 163806.2000 156447.4600 161899.7700 139239.9900
Azelaoyl PAF 1862.7000 790.3600 1561.8600 812.6900 2144.3700 2365.4700 1514.6800 2302.6400 1995.0900 1249.3900 2353.4000 1295.5800
Azobenzene-4-sulfonic acid 1782.2900 2120.6400 1794.9900 1868.8600 1609.8100 1833.5400 1617.9100 1671.3700 1791.8000 1407.8400 1352.3800 1753.2100
Azuleno(6_5-b)furan-2_5-dione_ 3_3a_4_4a_7a_8_9_9a-octahydro-3-hydroxy-3-(hydroxymethyl)-4a_8-dimethyl- 1100.0000 593.6500 892.4600 1940.6200 1607.6900 2416.1400 1842.2800 1071.3900 1138.6900 800.0500 2388.6900 2246.7700
Ba 2652;Stilbamidin 5405.6800 4727.2400 7106.4300 7025.8400 5283.6000 5293.1100 4775.9600 5609.8500 5385.4200 3705.3900 5646.1300 5283.3600
Barbaloin 1886.3300 710.4700 1700.9600 24745.7200 743.6300 57.2900 84.7100 283.4400 110.8900 1394.9800 4373.8600 1098.8400
benfluralin 4121.1000 3827.9400 3279.5600 3913.0900 4324.7500 3690.9600 4100.3700 3267.0300 3784.9200 3669.1600 3341.0600 3473.4000
Benzaldehyde 19224.1700 17278.6100 19498.9400 16967.4200 25147.5000 22601.2200 23983.9000 24638.6900 25511.1700 20757.3500 25193.2900 23082.5700
Benzamidine 84609.0700 92932.5900 72049.0600 77760.8400 99945.4500 79739.0500 102115.9300 86235.5300 87204.7900 88293.1900 75856.2200 76642.8700
Benzidine Yellow GR 10371.4000 9421.3800 9730.4400 9340.6700 9080.2000 10782.2900 9458.2000 10380.8300 11464.7000 11344.7400 11351.9200 9195.4900
Benzydamine 5865.9800 2024.2300 2636.6000 1192.6300 2665.2400 1742.2100 963.4200 2667.1700 1170.5500 2818.0100 3423.9800 1038.3800
Benzyl-furan-2-ylmethyl-amine 1453.4700 2146.5200 2308.6700 1582.8200 2598.3200 1783.1200 2432.9500 2527.0300 2494.6000 2440.8500 1304.4100 2208.7000
Benzyl n-[(2s)-4-methyl-1-[[(2r)-4-methyl-1-[[(2s)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate 20624.9600 22068.4400 20726.1500 28474.5300 21659.8900 19744.8100 23791.4600 21845.0000 22776.8400 20745.2800 21146.5100 22308.5900
beta-Alanine 2407.2200 2957.4000 3150.5800 3497.8900 2852.3800 3689.1400 1272.1500 953.5500 2553.1700 532.9100 1926.6900 1438.6300
beta-Amyrone 29.0400 26.0300 37.9400 6.8100 4.9400 21.5000 26.2600 35.2700 44.5200 11.2800 10.6900 52.7500
beta-D-gentiobiosyl crocetin 663.6400 467.7700 550.4500 390.7500 262.3900 744.9300 675.2300 885.0300 998.1900 794.6300 1241.8100 1014.3600
beta-Glycerophosphoric acid 100373.2200 101232.2900 107531.8200 103784.9500 67302.3900 87637.8200 69036.9800 79063.5400 80722.2000 77117.7700 82486.4100 71267.4600
Betaine 28170.7900 36805.0100 34432.9100 52979.0400 79466.9600 60970.9300 27860.0900 30247.8400 41727.3700 25213.0900 49880.4800 35141.3700
Betaine aldehyde 2425.7100 1982.4000 547.5600 636.3700 991.9500 851.3300 1549.1300 2560.5500 1925.5500 591.1600 1317.5600 1977.9500
Beta-Mercaptoethanol 28647.7200 36380.4200 34539.3700 36491.3900 18517.7000 24192.2300 19077.7400 22099.5300 26339.4100 15638.5400 25847.6600 26502.0700
beta-Peltatin A 958.5100 1594.5000 3409.0300 3458.7600 3277.7200 4720.5100 3216.1000 2741.8400 1842.3900 2280.5600 5379.3900 3194.7900
beta-Sitosterol 3242.2300 3411.6900 5056.5300 6040.1500 3108.0700 4637.5700 2132.2000 3234.9700 5074.0200 6776.9600 3266.3200 9124.3900
Bethanechol 3585.0400 3553.0000 3445.5400 2746.9700 3009.2200 2697.4800 2441.8700 2833.9600 2913.2800 2495.8200 2489.2300 868.4300
Bezafibrate 3491.5900 2536.2500 2822.0100 2845.1300 2791.0600 2929.1000 3446.7200 3311.5700 4223.1000 3584.8400 3534.9600 4442.6100
Bicalutamide 14803.0500 20961.1700 28635.3900 23545.9600 7609.0100 11892.8000 8122.3000 9952.3800 14355.8500 8912.5300 12665.2200 8801.6100
Biliverdin 9433.9300 10658.4000 10006.7100 10519.3700 8332.8000 9435.1000 10263.0700 9979.4300 9327.7000 8905.1200 8847.5000 8648.3900
Biosone 2696.3300 2837.4400 2036.9800 2775.2300 5585.5600 5002.0400 1629.6900 2400.9300 792.5500 1713.7400 1007.0000 504.7900
Bis(2-ethylhexyl) adipate 27356.9800 29501.8400 29199.0600 29946.8000 30017.2000 32020.6200 32812.8500 31592.6600 33699.1600 30412.8600 33304.3900 32752.6900
Bis(2-ethylhexyl) phthalate 3.6100 5.1300 25.1800 18.6500 952.9700 11.9400 66.2900 1406.7100 24.1200 1310.4200 15.4900 2850.8200
Bis(chloromethyl) ether 21409.3500 21212.2700 21133.7000 21111.7500 32451.4000 22553.0700 25300.0300 19088.7400 21703.9700 17091.0000 24072.6100 23117.5900
bisphenol A diglycidyl ether 712269.0100 968515.9600 1819551.5500 2428104.5000 1840260.9600 2233808.2200 1827100.9100 1431232.3000 1009597.2300 1483330.3900 2514157.8700 2250759.6600
Bispyribac 3800.4600 4212.2500 3926.2300 4819.8900 4322.9800 4596.0300 4576.4300 4778.4300 4941.0500 4339.9100 5062.2700 5409.5900
Biuret 32968.5500 45592.2300 55374.1600 55293.0200 12550.2200 22571.9800 15217.9100 17027.4800 22204.4400 19730.6800 23033.0800 14007.2700
Brassinolide 17932.1500 22226.0600 18494.6900 24299.4500 18487.4200 17085.9500 20799.0400 18550.0700 19816.3800 16779.3600 18162.5200 18076.3900
Bufexamac 173614.9800 151736.3600 166673.8500 150479.1800 164518.5400 144642.1600 181800.5100 161598.3900 152933.5200 143440.1300 157939.6100 159350.6600
Butanoic acid_ 4-((1_2-dioxohexadecyl)amino)-_ ethyl ester 4761.6800 4153.6200 5187.3600 4294.1000 4959.2400 4497.8900 3731.4000 4139.8500 4623.8800 2976.3700 3788.4100 3858.5900
Butopyronoxyl 382406.5500 380273.0700 378612.2600 380721.7500 377224.7800 402768.7800 312663.3100 320619.1500 422955.3000 319341.7200 407456.2700 413458.0600
Butylate 11160.5600 10654.9600 10959.9100 10836.2700 9946.1000 10346.1000 11492.1900 11260.2700 10891.1400 11170.7800 11462.9800 11426.4700
Butylone 44485.2900 48122.7100 44376.1500 48167.8200 54015.4000 51687.2600 60349.2500 58293.2600 62749.4700 62430.7800 56609.4500 57026.1700
C24:1 Sphingomyelin 19088.8000 26335.7000 17060.3600 15904.2000 18034.2700 14953.1000 14521.8900 13226.9200 14557.8300 9436.8400 8859.4500 8150.6200
C24 Sphingomyelin 53449.0000 57396.0800 59375.4100 57768.6300 76726.1200 50152.4700 15648.6600 58795.1500 2946.4200 31601.1600 3190.5800 26939.4800
C25H50NO6P 23118.0600 31634.2300 21513.2400 36270.6800 23388.2400 25498.8600 22830.2600 20814.5500 23321.4400 16754.0400 21757.6100 21542.1200
Caffeic acid 2024.3100 2721.3300 2266.8300 3175.1000 2562.0300 2078.5400 2316.3400 2060.8700 1954.7700 2029.3100 1760.3800 1386.8800
Caffeine 1095.0900 1835.4000 1027.6700 3014.2000 2144.9600 2547.0300 330.4700 379.0900 1186.6000 297.8200 1334.6900 750.5100
Calcitriol 2569.8200 3296.1700 2241.9700 3742.7800 2794.4600 347.8200 2817.6100 3349.2200 1891.0900 200.3200 2921.9800 2851.2200
Calcium Metasilicate 6034.6200 5980.0800 6313.3500 5680.1400 4922.2100 5670.4200 6648.4100 5063.4400 4274.3900 6576.7400 5970.3700 5878.4100
Camptothecin 3230.5600 5738.2700 3773.0700 7903.0100 5484.9300 5468.7700 5844.0200 4470.2700 5292.9700 6069.4200 3646.8400 2855.1300
Cannabisin G 5276.3300 5249.1800 4868.5200 10577.2500 30320.4400 7734.4400 7844.0300 8773.9500 11898.1100 7293.3000 6829.5000 5302.9600
Caprylic acid 9289.1000 8170.4000 9129.0800 9560.2900 9365.0300 7618.6900 10720.7900 10421.0200 7047.7100 9469.4200 9629.4000 9860.2400
Carbaprostacyclin-biotin 4512.0200 4786.7100 4311.2700 8959.5500 4876.2800 6609.4300 5957.0800 5289.6800 4737.2400 5101.4700 4997.2900 5082.4400
Carbaryl 58045.7400 53528.4800 55567.3400 54728.6100 54993.7500 54495.6000 53493.8200 55895.5200 54748.1700 52639.1300 56349.2500 56036.9300
Carmustine 948.5200 2964.8700 1260.5400 2153.5400 6103.6100 3751.7700 6328.2500 4566.7300 5455.8500 5115.8400 2860.2500 949.0300
Carnitine 1920.2300 1858.4900 1825.9300 1758.3700 1847.0300 1241.3800 1817.9400 1732.0600 1717.5800 1724.8900 1538.4800 1299.0200
Carnitine C4:DC 28737.0200 35246.0500 35275.2100 36137.5800 24919.6800 27785.5800 23236.7500 26846.1000 27966.7400 19588.8200 27948.5600 28129.4800
Caruilignan D 1165.6300 1628.3400 3269.4300 3971.3200 2856.1200 4288.6800 3354.3700 2890.4200 1063.4700 2540.6500 4803.9400 4527.2500
Carvedilol 21420.2300 29319.9400 52990.7500 70887.3600 54090.3300 63924.5700 53391.9800 44205.2900 29466.4000 43409.1500 74672.8300 65575.7800
Cedrol 623.3600 545.7700 890.6200 2037.9000 602.3400 644.8600 703.2800 378.9900 345.3200 639.0500 892.5800 901.7900
CE(MonoMe(11_3)) 4387.3100 4379.6600 3753.9400 2010.2000 1096.4100 1772.1000 1387.1700 1500.9500 1246.0400 1256.3700 1244.2700 1282.7100
Cephemimycin 1597.7800 1386.0800 1318.7700 1142.0900 1017.5100 1311.1200 1257.3800 634.8300 1070.8400 3087.1900 1024.4100 845.9000
Cer(d18:1/24:1(15Z)) 426.9000 496.3300 1172.4200 3664.8900 8920.8500 12757.4300 14732.7500 28727.1400 28084.7300 18867.8200 2574.5900 16486.9700
Chinomethionat 4327.3000 3843.3100 3844.4900 3588.0900 3793.5000 3265.8100 4071.4700 3950.7800 3738.3500 4044.0900 3713.4300 4143.4000
Chlomethoxyfen 27608.2100 37074.6300 43478.2900 42722.2000 11628.7500 19178.9900 13490.7100 16110.5400 18841.1200 16824.1000 18271.6100 12843.7000
Chloramine 32713.5100 43335.7500 46068.4200 51061.4600 23702.3600 25506.1800 17652.3400 20462.4900 23467.6000 19987.2900 21516.6100 22228.7500
Chloramphenicol palmitate 778.0700 443.8600 817.8800 751.7300 440.4000 493.7300 1199.2400 947.4700 894.9900 1045.9700 983.0700 983.9400
Chloroacetaldehyde 7074.5700 6543.2500 4501.5600 4955.9800 4500.2800 4293.4300 6381.6900 4142.4200 5272.8700 5795.4600 4797.4800 4603.2900
Chloromethyl methyl ether 210279.4400 208305.4000 206356.4800 198462.3100 213028.1200 212750.0400 215863.6800 211666.0500 209803.8000 213922.9100 212258.3200 214616.9500
Chlorpropamide 1523.4100 1227.7500 1634.3900 1247.1600 1350.6200 1391.9400 1369.6800 1467.1200 1170.9200 1310.7900 1483.8300 1515.5600
Chlorthiamid 5794.7700 4018.1300 5611.0300 4705.6900 6968.5700 7759.9300 7711.0900 6978.1700 7240.8600 6821.4700 7161.8400 8061.1000
Chlorthiophos 24149.8400 36922.1500 6402.5600 13780.3000 48801.2800 44560.5100 91535.3600 88247.1100 92407.7700 54264.7700 130701.0100 54074.3300
Choline 3241.7800 3250.0400 6361.1800 3459.7000 2586.7600 4131.1200 3610.3300 3441.0000 3771.0700 3221.7500 6692.8800 4955.2100
Cicerin 7-(6-malonylglucoside) 6318.2000 7000.5500 5955.7000 8095.0900 14616.8700 16595.8800 23926.5100 7795.1600 5126.5100 19297.6900 5628.6900 17812.4500
Cimetidine 2277.2800 3333.9100 2370.5700 3720.7700 1208.9300 2106.7100 1311.4200 1316.6800 2018.6200 5127.3400 2083.3100 2748.7200
Ciprofibrate 73.5400 574.2700 773.2100 1076.3200 513.5100 768.0600 6051.0400 2895.2000 2222.8400 3430.8800 2343.7400 2114.4400
cis-3-Hexen-1-ol 216.7500 366.9600 85.5800 178.4400 129.6000 133.9100 485.4100 114.2800 154.2800 263.7100 166.9600 161.8700
Citraconic acid 1218.5300 1482.0900 1372.1300 1060.3300 1238.7200 1333.2100 1783.4000 1710.4800 1338.8100 1083.3800 1186.5300 1234.4000
(+)-Cloprostenol methyl amide 17783.8000 11602.7900 20562.6800 13146.5600 25978.8400 33571.0300 15697.2400 25428.1900 28399.3100 10278.4700 11058.3400 20329.5800
Colfosceril palmitate 14993.4600 14188.9900 14552.5200 8002.2500 10188.8400 10690.5100 14974.4000 22736.9000 14123.8000 12376.4100 13869.4700 9325.6900
Conessine 139619.2900 166740.2500 123138.5000 180347.5700 131811.2100 122471.2300 121527.8700 119733.5700 141029.6700 99040.8100 106911.1600 111682.1400
Convicine 3871.1000 3195.7000 3535.5500 3145.4100 3318.7300 3354.7400 3710.4400 3557.8000 3670.3000 3462.6200 3924.9800 3360.7100
Coumaphos 18054.5800 18157.7400 18722.9000 19830.0200 18607.9700 19423.8800 20362.4300 19570.9300 20001.8200 18385.9400 22606.1700 21602.4300
Crustacean Erythrophore Concentrating Hormone 341.7300 166.5500 950.3800 596.9800 99.5400 163.4600 100.7400 220.3800 27.1100 48.1900 28.3900 499.4100
Cucurbitacin P 47485.5200 106713.4200 273461.6300 67506.4000 58511.0000 44599.5400 48957.9000 24604.3000 46087.3000 47863.5300 21601.2300 79076.9100
Curcumol 9199.9300 10461.3700 10758.6400 11034.0700 7509.1500 8757.0400 8577.7100 8387.6800 9423.2800 8404.0900 9287.8100 8907.0300
Curtisian O 20390.7000 4306.5000 3978.1200 4593.1700 14116.2800 8614.0400 4201.3400 7113.0800 4311.3200 3130.2600 5820.5600 8367.3600
Cyanidin 1663.7000 1623.9500 1700.8300 1766.3400 1704.4300 934.6000 2045.3800 1763.9200 1846.1800 1822.2100 1985.5900 1921.5900
(Cyclic(glycyl-N(5)-acetyl-N(5)-hydroxy-L-ornithyl-N(5)-hydroxy-L-ornithyl-N(5)-acetyl-N(5)-hydroxy-L-ornithylgylcyl-L-seryl)ato(3-))iron 799.1000 1577.5300 1266.9300 2620.9900 1969.1900 1446.5000 437.4800 303.4600 838.6400 642.1300 965.7200 720.9500
Cys-Arg-Met 281398.7800 315681.4800 510832.5700 658579.5400 493479.0400 546036.7100 467547.6400 414222.5500 328097.2900 419512.1300 596703.6100 520989.8100
Cys-His-Lys 28504.5900 39703.1700 73685.0400 196166.3800 75262.2200 88880.3100 75473.2500 56294.7500 40819.8800 60319.6900 107058.4100 95809.5900
Cysteylhistidyllysine 5314.0800 6338.3200 13026.7100 16022.3300 12727.8700 16326.2400 13860.4700 9216.1900 7463.2600 8510.4500 20532.6000 16895.2200
Cythioate 3223.9100 3899.5500 3388.4900 4183.4800 3322.3900 3742.6400 3568.8900 3684.7500 3505.9000 2850.9900 4014.5100 4290.5300
Dalcetrapib 1346.7800 1270.7300 1402.4300 2231.3000 1866.8700 2216.3200 2067.0800 1491.1100 1720.7400 1728.5800 2352.1000 1897.9100
Dehydrocarpaine II 3049.5500 3295.3100 3251.0100 3124.9100 3993.8500 2662.5100 4371.8800 5686.1400 4038.0000 3700.2400 4245.4600 4224.8700
delta-Hexanolactone 11686.4000 13918.0100 12272.4500 13217.6800 16928.4700 14957.2200 15691.1900 16982.8200 16126.1300 11579.6000 16176.6100 18552.7800
Deoxycholic acid glycine conjugate 1901.8200 2368.4200 1999.7700 2495.6900 2167.5000 1956.9700 1751.3500 1984.5600 2050.3300 1731.8200 1947.8700 1927.1900
Deoxyhexose 1804.6600 2128.1900 1473.8000 1695.1100 2222.9400 1952.4500 2299.8900 1997.5900 2248.1100 1828.4600 1958.2600 1823.7100
D-Erythroascorbic acid 1^-a-D-xylopyranoside 32366.0700 31953.4900 34455.9200 29339.8800 33077.9900 34328.3900 33939.0300 34733.6700 32731.6100 23618.1500 19909.9700 26282.2100
D-Erythrose 4-phosphate 402662.9400 512609.5800 421024.2900 386689.5000 504847.2100 387308.3000 544514.4600 599005.9700 486455.2800 432334.0000 423730.2400 792242.6100
Desmethylalborixin 3100.2900 1810.0400 852.7000 560.6300 150.9600 150.8800 11917.1400 5295.4100 562.9100 19341.9100 19797.5700 15564.4300
Desoxycortone 3595.1900 3658.9500 3716.1100 3495.9400 3717.4600 3660.0900 3492.3900 3352.0000 4095.6900 3788.1300 3111.4400 3580.4500
Devazepide 3225.0900 3184.4800 3949.1600 3476.2700 1924.9800 2805.6500 2025.1600 1493.1000 2303.0100 2359.4600 2295.8300 1819.4900
Dexamethasone 18.4100 120.3800 28.4300 125.1400 2076.3800 26.2700 3.4800 3.6300 4.5300 5.9000 1.8900 7.3700
D-Fructose-6-phosphate 39247.2100 68226.8200 76070.2600 76449.5100 21158.8300 30230.7400 19655.4200 24515.8600 31626.3000 13555.6800 35538.3400 36277.5600
DG(18:3(6Z_9Z_12Z)/16:0/0:0) 151.0400 174.4800 181.1000 15.5200 1.4200 38.8100 1235.4300 2670.3400 4157.5000 5172.1400 1270.4500 94.4200
DG(18:3(9Z_12Z_15Z)/20:2(11Z_14Z)/0:0) 218207.3700 62950.7200 121766.5900 206648.6600 271921.8200 225989.2800 238893.3600 45007.0600 189588.7500 129499.3300 4269.0000 320062.7000
DG(18:3(9Z_12Z_15Z)/20:3(8Z_11Z_14Z)/0:0) 4878.0400 4752.1700 5784.2200 5608.2000 6162.7500 5670.8100 3361.9500 3360.7900 2719.4100 3514.8000 2941.5700 2736.2400
DG(18:4(6Z_9Z_12Z_15Z)/18:4(6Z_9Z_12Z_15Z)/0:0) 16214.8200 20673.1200 23766.8600 23913.3100 5969.5600 11352.0100 5569.8600 8036.5400 11362.8500 6551.8400 10665.7300 5486.3300
Di-2-propenyl heptasulfide 5097.2300 4850.0200 4617.4300 4552.0400 4425.0100 14870.9900 4601.7000 4507.1600 5808.9000 4640.1800 4000.3400 4300.8500
Diallyl trisulfide 23228.5600 16464.6800 13339.5300 12177.8800 17859.9800 13485.1800 11467.0600 18043.4700 14591.1200 15394.4400 17060.8900 14318.2800
Dibasic sodium phosphate 25977.5900 198140.0600 197622.1400 184267.7300 24692.5600 107106.1800 32014.1200 164447.4600 54616.5400 44291.9500 206268.4600 35115.5800
Dibucaine 2782.9700 5202.5300 4213.9200 4457.5600 4367.8600 6504.5400 3174.7300 5129.7600 4632.6000 3620.8400 3219.8400 5747.7400
Dibutyl phthalate 579212.5900 557254.5100 572302.4800 581106.2900 528934.6500 554741.9700 604322.4400 589651.6700 585833.1500 608434.1100 613545.5000 606228.8200
Dichlofluanid 14077.1400 14274.2500 14430.5100 13477.0300 14702.2600 14351.6700 15411.3200 13851.0900 12387.7400 12775.5200 14650.9200 12505.4100
Dichlorvos 2211.0400 1760.7400 2616.9700 1722.5000 1863.6200 2736.4400 2098.7500 2187.3500 2228.6500 2653.4700 1872.6600 1632.9300
Diclofenac 5063.6000 5924.9000 4695.6700 5916.5900 5199.1500 5443.9000 5397.1500 5343.6500 5564.7500 4411.0200 5302.8500 5380.7000
Dicyclohexylamine 6007.2700 5716.8900 6052.9600 7443.4600 7912.3900 5748.5600 6841.5900 6657.6900 6028.2700 6542.2900 6931.0200 9649.6600
Diethyl disulfide 9044.0500 5816.9000 5658.5000 5708.4500 10085.5900 5408.2600 5656.9000 1966.2500 5544.5700 5180.5200 6083.2500 3694.5200
Diethyl glutarate 1113.9500 912.0100 1801.5600 1297.0100 1460.5100 2030.0500 2034.3400 1718.7600 1719.4100 1921.7800 1989.6200 1827.9100
Diethyl hydrogen phosphate 217.3300 6142.1500 3849.9000 15256.5100 21.6400 409.5400 9.9000 11.2000 14.7100 1020.6300 2.0300 1811.4700
Dihydroconiferyl alcohol 2461.6300 3264.5900 4528.6400 5561.7000 12923.3900 5060.3000 3872.4600 3144.0900 2482.3700 2897.8300 5658.1500 1451.8800
Dihydromethanophenazine 1389.5600 264.5600 1603.2200 673.6700 1638.0800 887.7200 2628.1500 2550.6900 2540.0400 2406.9700 2043.1900 2086.0900
DI(Hydroxyethyl)ether 47898.1100 37180.8000 38634.4000 39892.9400 32588.7300 48700.9500 52284.9600 43167.9700 46085.0900 47554.7200 44528.2000 48698.6400
Diisononyl phthalate 149177.2100 11726.7700 2240.2400 1551.1100 583.7500 4861.3400 299529.6700 2330786.2700 2036757.7600 506081.3600 122949.1000 60306.5600
Diisooctyl phthalate 38724.2900 37169.3100 53676.8700 43251.6400 24036.5500 42525.0700 56235.0400 53023.6100 62009.3100 63070.7500 53682.5900 65697.6600
Dimepiperate 5775.2000 6868.1400 8474.7400 10563.4800 9377.9800 9310.3400 8623.6400 8279.4800 7848.3500 9040.4500 10221.7200 9629.3600
Dimethyl 4-(3-methoxyphenyl)-1_4-dihydropyridine-3_5-dicarboxylate 500.2500 829.6300 673.2900 1578.5100 386.8800 418.3600 398.5600 517.9600 551.8200 209.7900 1061.2700 654.6800
Dimethyl sulfoxide 12011.7700 11828.6500 11281.9600 11438.4600 13407.9700 12686.1600 12958.0700 12758.4800 13401.4600 12378.5700 11936.6000 14117.7500
Dinitrogen trioxide 50197.1600 61895.5000 56543.4900 50336.8100 107353.7800 49655.5300 106146.0000 48462.4900 167414.2000 51174.6100 62545.7400 41305.8700
Dinoseb 40420.9600 38557.5600 30187.0700 36968.6900 5002.0600 13636.2800 346.8000 13172.7100 22671.9000 2724.6900 33749.7800 393.7900
Dioctyl phthalate 15977.7000 6179.7800 7278.4900 15203.2800 9889.5500 7774.3100 10261.1800 4698.6800 9665.0500 10735.2800 18516.9100 16701.2700
Dioleoylphosphatidylcholine 94046.1900 68936.1100 74282.5700 28437.0400 18905.6300 17279.1700 12817.5900 6089.9300 11475.8500 77350.2800 207486.0800 93652.0400
Diphenyleneiodonium 6980.5200 6946.1200 7244.3700 6849.8100 7621.8900 967.7100 4478.9600 5930.5800 732.8200 85.1900 5214.1200 2948.6500
Diprogulic Acid 3044.9400 4557.0800 3511.7300 5147.6700 4251.1400 4270.4400 4553.5400 3552.5800 4570.0200 4233.7900 3451.9400 2998.3000
Diquafosol 23908.6100 4856.9800 179.1200 14826.4800 31874.3200 23914.4000 30829.5700 35498.5000 13028.5200 8950.3100 18117.7600 44815.1500
Disodium 2-hydroxypentanedioate 41209.3800 39456.7600 35373.0200 40408.1200 48814.0400 58742.7300 248368.6800 201341.7900 56615.2000 71442.9300 75043.0500 38441.2100
DL-Citrulline 1855.4800 1885.0700 1943.3200 1750.5600 2040.5400 1920.4000 1927.8600 1874.3100 1741.3300 1635.6200 1893.4200 1726.3500
DL-Homocysteine 4686.8200 4083.8400 3595.2100 2740.6100 5175.8700 4524.3600 5028.0100 5009.1300 4086.4400 4588.7300 4250.4800 4122.9500
DL-Ornithine 7069.0800 6613.4000 7014.7700 6308.6300 6783.1800 6660.6000 7601.4800 7032.6600 6722.6700 5553.7300 6258.5800 6107.3100
d-Myo-inositol-1_4_5-triphosphate 188986.4900 65454.5900 60051.4600 76170.9300 73667.9100 137186.9800 105894.4400 126243.2900 95739.8900 76621.4300 109306.0900 112548.2100
D-Nmappd 775.7300 2209.2600 1992.9700 1942.2800 1225.8100 1286.0000 1924.8100 2053.7200 1008.5500 295.7000 1222.4600 2417.9700
Docosanamide 38416.8200 13862.3600 34711.4000 46209.9100 22128.8600 42699.2700 42276.6500 65397.3400 49399.1100 35124.7600 42417.7800 44210.0100
Docosatrienoic acid 7652.5500 14903.0700 27044.4000 13283.5000 14878.0700 6310.4900 16833.9600 16392.6500 9738.7100 14922.6100 30472.7800 20131.9300
Donhexocin 16943.0700 14887.1200 16256.1700 17689.1600 17545.9500 17767.1200 16784.6200 16169.2600 17381.7100 21742.5900 17965.6900 17883.9300
D-phenylalanine 74538.2200 77818.0600 72472.5800 75063.7600 78380.5600 79241.9400 59306.7000 53490.5800 63080.1000 44246.8600 78519.1500 78770.8600
Drofenine 1590.0500 1426.7200 2976.8500 4507.9600 1914.9000 2698.4800 2231.1600 2788.6000 2890.9400 2334.7100 2284.6000 2525.1900
Dropropizine 459739.7400 447742.6000 455676.4900 426920.6600 468547.7400 438506.8000 463281.9000 450249.2900 374372.3900 404192.9900 442748.6300 411926.5500
D-Xylono-1_5-lactone 84752.5900 133288.8700 116781.1900 94319.0200 127270.8800 81565.4000 86109.9600 82720.3000 80436.0500 63154.8600 88640.1300 83652.0000
(E)-6-[(7S_10S_13R_14R_17R)-7-hydroxy-4_4_10_13_14-pentamethyl-3_11_15-trioxo-1_2_5_6_7_12_16_17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid 2265.9100 1934.8500 1939.2300 1675.3800 2084.7300 1845.6500 2021.0400 2066.1700 1780.8400 2237.6400 2164.8200 1903.5200
Eicosane 1061.3400 3256.0600 3114.9900 3554.1700 3335.0700 1804.6700 2576.7800 3159.5500 1205.9300 2471.2700 4749.8400 3030.3400
Emodin 3612.5000 1043.5300 1101.9600 2398.4100 927.6700 611.9100 562.8600 2185.7900 3025.1400 1086.6900 806.4700 3441.0700
Endoxifen sulfate 5796.3400 4739.0700 6439.0200 5461.8400 7936.6700 8557.0700 5734.3200 7581.4900 7772.3700 4747.9900 6514.5200 8517.1600
(-)-Epicatechin 2260.8400 2116.5100 1494.4100 2696.3700 5296.3900 3507.4500 1887.7800 2197.0200 1722.6000 556.1700 1846.7000 811.6400
Ergosterol peroxide 1604.1600 1681.7500 1868.7700 1758.9600 1618.5900 1588.5600 1264.4200 1460.9200 1741.3900 1137.7200 1432.9600 1426.2300
erythromycin A(1+) 2334.4200 5002.3700 4235.9800 3240.5500 423.1800 2110.4100 732.9300 555.2900 611.5300 124.1500 1704.1500 1798.1500
Erythrosine 9904.9000 5564.5000 6463.0400 6400.4300 12068.7700 10277.4800 3357.7700 4012.2300 11835.8600 3808.2200 7528.5800 3114.2000
Esculetin 5098.3800 5791.9800 6216.3700 8799.7400 20624.5700 7769.0900 6772.4100 4411.7200 4853.8400 3754.3100 3357.5300 4680.1200
Ethacrynate sodium 3228.0000 2440.5100 3896.0900 2706.1100 2090.3400 3492.5100 3769.1000 4485.2300 3150.3700 4658.2700 4828.0600 3863.8600
Ethanethioic acid 6563.7100 6105.5800 6469.7700 6337.9400 3521.5200 5892.3200 6005.7000 5640.6700 4808.5300 6910.9900 5375.2200 4963.4600
Ethephon 14878.3900 12309.6600 13353.7800 9851.4600 15883.8300 15419.2000 15881.9900 15214.1300 14624.3600 14927.3100 15720.8000 16839.5200
Ethopabate 2658.2200 3160.3600 2259.4300 2636.9300 2916.0100 2613.1800 3417.8300 3081.9500 3295.9100 3463.7000 3058.5700 2947.1200
Ethoxzolamide 8755.7600 11286.6600 9074.1300 11909.9000 8650.7400 9384.6000 7498.4200 7261.3000 7344.6600 4604.3400 7545.6100 6770.9900
Ethyl 2-[(5-amino-1_3_4-thiadiazol-2-yl)sulfanyl]acetate 12477.5400 14787.7700 21611.4500 17545.3200 6338.5000 8806.3600 6139.9300 7119.3400 7544.8400 5177.0100 7484.7900 8332.6000
(+-)-Ethyl 3-hydroxy-2-methylbutyrate 1597.8200 2202.5500 1516.0300 2525.4800 1789.7100 1804.0500 1669.3400 1445.4000 2247.7600 1492.1200 1737.5600 1665.5100
Ethyl 4-(cyclopropanecarbonylamino)benzoate 3833.9300 3253.6700 3154.7000 3717.3900 3296.8500 3724.1600 3569.8800 3744.1800 3907.2500 3315.1400 3433.5700 3959.0800
Ethyl alpha-linolenate 7997.9100 2954.8700 2377.0900 2509.0200 3983.4800 2768.5900 1850.6500 4225.6200 2022.7400 1349.5100 1817.7600 2035.2000
Ethyl arachidonate 2053.2500 3871.8400 3437.8500 3264.6400 3663.4000 3925.6100 2335.9700 1458.2900 2385.7700 2498.4100 3901.5900 3321.2800
Ethyl pyruvate 35078.5600 29367.0700 29215.5700 23844.3700 36047.0400 32917.6500 34934.2100 34074.9100 30882.8900 39010.7500 33630.3700 34275.7600
Ethyl tetradecanoate 1077571.9900 1119981.0900 1110105.3600 1149300.1700 1039228.8600 990590.1800 909124.6900 787097.5700 1074144.4800 1034383.2200 1217932.5500 999799.0800
Ethyl vanillin 3535.9000 3325.4800 3836.3500 3463.5300 3667.4400 3238.2400 2840.1900 3118.0800 2786.3300 1214.9100 2830.6400 3537.9800
Etilamfetamine 17282.0100 20451.2200 17514.5300 21161.3100 17193.2500 17342.0800 18003.0900 16637.2300 18610.2500 15685.6600 16411.4000 16417.0700
Etobenzanid 597.2200 1174.6000 1046.9200 2080.6600 2080.1700 1964.5800 2341.6600 1784.9100 3600.7700 6244.3100 1916.6300 932.2200
Eudesobovatol B 2614.9200 3116.8500 3423.0100 1974.5200 2056.9900 1886.0400 2134.3500 2904.7900 2650.1100 2505.4900 2351.3800 1773.5800
EUK 134 10265.6200 33835.5500 34365.2600 28644.8600 466.6000 3644.4300 6330.3800 1175.0100 9135.6300 1929.7800 9720.8500 8546.3600
Euscaphic acid 6354.8900 6335.2700 7884.6600 8773.0500 8226.6800 6451.0900 7477.8300 6576.7500 4402.2200 5350.0700 11005.7800 9696.5900
Farnesyl Thiosalicylic Acid Amide 5732.0900 3483.5900 2285.3700 4965.2000 3815.5200 3547.5800 2203.6200 2868.6400 2629.4000 1925.8600 2363.4700 3188.7800
Fasciculic acid C 1376.4400 689.1800 1031.6900 278.3300 970.5700 925.8500 1095.2300 1772.8600 3626.7000 661.3800 1595.4400 454.6200
Fenchlorphos 8375.8800 10205.0800 9451.0600 10824.9700 5378.1200 6793.1900 6433.5000 5464.6700 5745.0300 7975.8300 7439.2600 4805.1800
Fendiline 1156.9600 3730.8000 2517.4900 3286.0200 743.0900 2654.3200 877.0700 1849.2000 1211.2400 1019.0400 1023.6300 2352.2900
Fenothiocarb 14143.5100 10821.2400 11905.4500 11036.3000 11749.6600 11586.7400 10648.8200 10726.6900 11959.8800 11227.5300 10926.1100 12241.5200
Fenoxanil 74441.6300 60499.9600 66929.9200 60442.4000 63326.3900 64373.7000 64264.4100 64226.7000 59853.1400 62368.7100 75153.6700 66113.6400
Fenson 2491.0100 2430.5200 2467.9900 2357.9900 2066.1200 2626.2200 2523.9200 2827.4400 2966.6100 2745.5500 2716.7100 2780.3700
Feruloylputrescine 1513.5600 953.4200 1421.4800 2110.4400 2274.0800 1829.8100 919.3100 1266.9200 584.4100 757.7500 925.6300 695.5900
FFA(12:1) 52.4300 60.2500 59.9800 168.5800 115.1700 42.1800 34.3100 28.3500 495.5700 228.1900 156.2100 12734.1400
Fidaxomicin Metabolite OP-1118 3092.6500 956.0700 1302.5400 967.2200 2134.5300 2282.1800 184.8100 546.9000 298.5300 138.6000 249.3300 498.6300
Fipronil 8239.5200 21444.6300 10101.7400 18722.0500 8343.1900 12647.6300 14116.2400 14835.7000 30256.6500 20351.6100 31209.1200 8143.3800
Firefly luciferin 561231.8400 666392.8400 531448.9100 691662.0300 497895.7100 484427.8100 406229.9600 394342.6900 386527.0100 280358.6900 370243.8600 357167.0600
Flavone 117696.4800 185233.8500 168264.2200 317367.8000 333944.6100 336719.7100 452562.5800 324380.0800 682831.7300 1512783.2100 341074.4300 214894.2000
Fluorodifen 2913.0900 2613.0100 2817.6800 2316.4400 2763.7400 2612.7500 2621.3900 2659.9400 3071.5800 2122.3000 2820.1000 2489.4900
Fluphenazine sulfoxide 25102.5100 19914.9800 25178.2100 26239.4100 22802.1500 32739.3900 21339.0700 27705.5000 23853.0800 20903.7600 24283.4000 22589.1400
Flusulfamide 1416305.1700 1896980.7600 2138940.9400 2141653.9000 584203.8800 1088565.8100 603721.2700 822216.1700 1092814.5800 753293.8600 1072407.3000 676262.0700
Formononetin 7-O-glucoside-6^^-O-malonate 753.4300 220.1000 436.3700 17257.4200 278.0600 29.7400 7.2600 77.8400 41.7400 686.8100 2771.7200 437.3100
Formylanthranilic acid 1865.0900 1568.6700 1658.5300 1502.0000 1958.3700 1728.0600 1557.6800 1935.0700 1923.2900 1886.9900 1990.6600 1929.6200
Formylisoglutamine 151.7400 1573.9800 2743.6200 5096.8000 75.4000 1215.7000 1020.1100 2411.8300 1373.1800 9.0000 324.5900 12.2500
Formyl phosphate 6986.6000 4880.7900 5908.1700 4776.5000 7561.5000 7372.0100 7201.0900 7475.6700 6429.2800 9259.4800 6403.8500 6833.2800
Fucoxanthin 1945.9700 3668.4300 1844.5900 1407.1400 2185.4400 2142.3000 146.6500 1140.2100 305.9100 248.3000 869.8900 427.4300
Furafylline 9263.6300 8271.3800 8997.2900 8610.0900 7578.2000 10143.7300 10428.3900 8969.1000 8329.3400 10775.3400 8934.6700 9179.7400
Furametpyr 15927.1500 14509.6300 16295.2600 15139.3000 16949.0900 14052.2200 17217.2300 16538.4000 14275.3300 18921.7200 16626.8100 14833.1200
Fusidic acid 1988.3200 2386.8400 2020.8000 2896.6600 2032.0000 2028.4600 2302.6900 2296.3600 2167.4400 1982.3500 2306.8400 2287.7600
Gamma-Caprolactone 778.0700 1291.5000 1105.9600 1315.8700 1326.7700 1382.2400 1553.9600 1524.1800 2053.8200 869.3100 1206.3700 2121.8100
gamma-L-Glutamyl-L-pipecolic acid 1147.2900 1104.1100 1744.4100 1046.0700 1727.5200 1801.2100 1951.6500 1182.8300 1356.9900 1587.1600 1273.9100 1909.0800
gamma-Linolenic Acid 2659.0500 1521.2000 1788.1900 1808.7300 1464.2200 3374.8400 1306.3400 1738.7200 2609.8200 1297.7200 1225.4800 3425.0200
ganoderal A 1304.5100 1225.5300 1537.9400 967.6900 1139.1700 1662.7500 639.0700 1585.5900 1012.3300 988.1000 1879.7100 522.2200
Ganoderic acid A 870.8700 1615.5800 2072.6000 2242.5600 1374.5900 2169.4800 2859.4900 2312.8500 3255.7700 3011.4800 4307.2500 4817.6700
Ganoderiol I 2231.8200 2514.6200 2952.6900 4949.3200 3212.1900 3423.6800 5087.8600 3128.5200 3153.6000 2761.6400 3111.0800 3368.4800
ganoderol A 137278.4900 170061.8200 130520.4500 183731.4100 147340.7800 141903.1600 156042.4600 133211.4100 152695.7000 122622.7800 129196.3000 134125.5400
GcNeu 9996.3100 4721.0500 5746.1300 2949.1800 12754.5100 4666.3100 5693.9700 24442.6300 10067.1500 6485.6200 10280.3800 16678.1800
GENALKDAK/2_0 1462.2600 1878.2800 1262.2200 1004.7300 1106.2200 342.7500 444.4800 499.2900 171.5500 557.9000 291.9200 138.8700
Genistein 24132.7400 22045.8800 21860.6400 22384.9300 20415.5300 20444.9700 22023.8900 20988.2000 19444.7500 23197.1400 21550.5000 19600.9300
Gentian violet cation 11332.7700 6590.3600 5092.7200 10473.6500 4909.4200 6176.2900 2995.0200 3552.8500 3951.3400 1837.6800 3728.2600 4799.9100
Geodin 2300.2200 3050.8900 3459.0400 2814.1800 248.9900 758.5300 1405.9600 1498.6400 115.9500 898.8200 506.4300 590.6400
Geranylcitronellol 12883.8000 19244.4900 19893.1500 20993.7700 19852.8100 27630.9500 18366.9000 15430.8500 29579.9200 29778.1600 20245.8300 23053.9400
Geranylgeraniol 875049.7500 1308591.7400 1329651.2000 1428558.6000 1358735.8700 1872233.3400 1260623.9900 1032312.8800 2010792.6700 1978541.1800 1394396.6700 1616446.6100
Gingerglycolipid A 5089.2000 1749.6600 1643.2500 1929.9600 3248.9900 2250.6400 770.9500 1895.2000 1666.3800 939.3600 1191.1200 1735.8000
Ginkgolic acid 1025.6800 4100.5700 35.2400 8.8100 1489.3800 4.1300 9.6900 2.4700 342.2100 0.9300 421.0800 644.9600
Ginsenoside F1 5198.5100 6830.9100 11348.1600 10136.0800 79395.3200 9473.0700 2169.9100 1178.5300 1960.4500 3270.6600 2896.7100 616.4300
Gln-Gln-Gln-Glu-Gln 23694.3800 29049.5200 25044.1200 27905.0500 12598.8800 20867.6400 28835.9400 25699.6200 28889.4400 20861.8100 30381.3900 28675.5900
Gln-Gln-Ser 2787.3500 910.2800 1473.0300 2608.1000 1659.1100 2813.4700 1061.7100 1649.0700 885.6200 1308.4900 1442.1000 594.5400
Gln-Phe-Asp 1312.5800 1532.2400 1637.6800 1677.8900 2384.6100 1749.2200 1268.4100 1430.0500 1575.5300 1717.0200 1484.4700 1433.1300
Gln-Val-Leu-Arg 1349.2600 1758.6400 1589.7500 2493.2400 2286.6600 2039.2500 1263.9600 2888.3800 1647.2100 914.8000 1223.0100 743.9500
Glu-Ile 104682.3300 104438.7400 102621.1100 102164.6000 106750.9500 109546.6600 115758.5200 116987.8800 124770.7100 121530.5000 132396.0600 134498.4900
Glu-Leu 25287.6500 27956.9700 34207.4600 32864.6900 34089.3300 36067.5800 44962.4300 23900.1500 26617.8800 34036.2200 32164.2000 30218.4000
Glutamine 35373.1600 20683.9000 19673.0900 35388.0500 16468.2300 24495.1200 11684.5900 16498.7300 16402.5500 15829.0200 21948.9300 9329.4000
Glu-Tyr-Ile-Glu 31544.4400 16959.4800 24366.4000 18941.3700 12553.6300 39924.3700 40423.7900 41073.5200 50304.1100 26759.3900 32343.8100 48826.7600
Gly-Arg-Lys 4604.4200 31960.9900 187.0400 8013.4400 28239.6700 8048.3400 6873.5000 6231.2100 6440.7900 4732.7800 6927.3500 7.7500
Glycerol 1-myristate 1393.8500 1496.0100 1363.2400 1660.6000 1603.2700 1407.1700 1299.2700 1408.7900 1760.7300 1275.4800 1381.4500 1290.4300
Glycerophospho-N-Palmitoyl Ethanolamine 3139.0200 3241.1100 3492.4400 5012.2000 4910.2900 4319.0700 2559.6400 2434.5700 3330.4000 1406.4600 1415.2600 1873.5100
Glyceryl monooleate 1407.1800 1409.6500 1289.9300 1225.9700 1397.4800 1356.4300 1540.1200 1418.4800 1554.0200 1264.3300 1350.3700 1492.5200
Glyceryl monostearate 1456.3200 2807.9100 1528.1800 1058.6000 1518.0400 1380.9800 2196.6100 2112.7400 1975.5400 3038.1100 2320.6700 2052.6900
Glycine 9068.5000 6726.7100 10718.3700 8080.7600 14459.4000 14911.4400 15426.3100 14180.6900 14272.5000 13125.1300 13461.5100 15872.5200
Glycolaldehyde 66581.1400 54970.8300 50225.8100 56058.4300 54025.4800 59400.2800 57919.2600 59282.7500 62500.6800 73409.0300 52081.0300 51217.9900
Gly-Leu-Ser-Pro-Lys 3744.0600 4155.0200 2720.4500 4968.3900 5439.4900 5224.4900 1957.4500 4595.8400 5402.6600 2531.9700 4160.0900 2522.6800
Gly-Lys-Val-Lys-Lys 5816.6600 5847.2900 7612.9100 9992.8400 8314.3100 6906.9000 7655.8300 7142.6000 4133.2700 4930.1500 11286.8600 11104.3600
Glyphosate 3246.0100 2173.1000 3268.9700 3284.3700 3674.2000 3511.5600 2760.9600 3152.3700 3153.8700 2637.1000 3086.7800 3279.5200
Glyphosine 3417.4600 3393.8000 2768.8900 2499.9500 7363.0000 4215.4200 8485.5700 7638.1500 5928.0100 7618.6400 3582.9100 338.6000
Goniodomin A 1914.8900 74.5500 3117.2400 2594.1600 913.0400 738.6000 685.2400 44.0500 3113.5600 2026.5100 11520.2300 5060.9200
Goshonoside F2 4826.8300 5161.2700 5917.1200 6330.8000 5958.1300 4417.3900 5314.3000 4536.6800 3341.0900 4044.1700 7401.2400 6543.4800
Goyaglycoside h 4960.0000 208.0000 2385.7000 45113.3200 7.8500 3704.4000 3136.7500 25.5200 3.6500 2228.7000 9.8000 3493.5400
Griseofulvin 2362.7300 2050.7200 2145.2100 2426.8700 1982.5500 2008.7400 2195.7500 2489.5300 2266.8000 2211.0700 2342.8600 2438.9700
Harman 266.3800 1260.0200 305.5800 720.5000 1068.0100 2232.1500 977.0200 816.0000 3072.7300 1017.7800 1382.0600 1310.7400
HC Blue no. 2 0.0200 0.2300 0.3900 0.7000 0.7800 0.7900 0.1500 24.9500 0.5500 811.1200 1.2500 147.9500
Heptadecanoyl carnitine 1693.5500 1676.3900 1895.2300 1601.8500 1808.4500 2455.1800 816.0700 2192.9100 563.8800 585.8500 2155.2900 117.5100
Hexadecylamine 653.6700 736.5600 642.0800 682.9600 635.0300 707.7900 674.6800 756.1100 774.9300 692.1600 638.8100 740.2300
Hexamethylphosphoramide 16662.3000 16501.9300 20545.9400 21437.9800 20685.2400 25603.1000 23279.6400 19451.0400 17744.2600 20476.9900 27363.5100 24949.6400
Hexetidine 4564.5500 7548.1800 7897.0200 7481.0800 7827.1300 6697.2300 5716.4500 5470.9500 6033.6300 6920.0600 5735.6900 8563.7800
His-Ala-Glu-Asp-Gly 418.8800 452.7900 178.7200 551.1500 593.1800 227.8100 160.7600 104.8000 39.9300 75.3000 275.6400 12.6800
His-Asn-Ile 6936.9500 7170.6600 6431.5700 6338.6900 5301.9700 7269.2000 10003.2800 9306.4400 7666.1800 7005.5400 6960.2600 7481.8200
His-Gln-Thr 508.8000 679.1200 744.8500 428.2400 301.2200 615.8500 2483.9200 684.5800 951.1900 446.4000 1737.9300 3114.7200
His-Lys-Gln-Lys 3590.3800 2753.4300 2906.9600 2795.2800 4590.2700 3232.7500 1895.6700 3067.6900 1713.0100 1279.0500 1888.9800 1142.9400
His-Lys-Met 84236.1300 7645.9600 21248.2600 12224.5300 11453.6800 14833.1300 21269.8400 24495.8300 27240.0900 26003.3400 24793.7800 11969.2100
His-Phe-Arg 1654.6100 1987.1400 2201.2800 1767.6800 2650.6400 2130.8500 1639.0400 1567.9700 2678.0700 1525.2500 2071.4400 1610.0900
His-Phe-Tyr-Asp 1301.5500 1000.6700 1072.6200 989.0700 841.5800 1415.6600 1415.7400 1531.2100 1376.4600 1188.5200 1896.7300 1640.8700
Histamine 3755.8600 4649.1800 4657.6000 4452.3800 4465.6500 4261.3000 4826.9700 4563.4100 5070.5300 4680.0200 4838.9200 5070.9700
His-Thr-Lys-Lys 2291.6800 4411.5700 2609.7500 3759.5900 4224.0000 5031.1400 960.2800 3327.7900 2554.1000 354.7500 2529.5700 657.6900
Histidinol 5547.6900 40290.4600 15413.9600 14481.3600 11145.5500 11937.0500 7326.9500 11724.1000 11426.4000 20054.4700 24440.6500 12663.4600
Histidylmethionyllysine 27774.5000 20233.7900 27123.4200 25841.2600 26155.1300 33477.0500 30475.4500 26157.3600 26287.8000 23216.8300 32431.9700 31741.6600
Homobaldrinal 1234.7900 174.5400 1061.7000 12915.7600 397.5500 817.2700 558.5700 4286.9000 772.2200 905.0600 2480.5800 818.6000
Hordenine 1605.5500 2288.4000 2010.1500 2358.2100 1584.5900 2094.6200 1140.4300 1649.4800 1518.1400 815.2600 2574.9600 2732.6600
Huperzine b 3492.8700 3929.4000 4237.8700 4297.2000 2749.6200 2946.6300 3526.8800 3300.6200 3510.5700 3728.7200 3516.8000 3763.9200
Hv-NCC-1 1238.3200 1020.9400 1071.9900 429.1800 701.1900 1490.3300 1871.9200 1794.3400 2649.1300 1731.4800 4157.4300 3117.0500
Hydrogen carbonate 1520.0300 936.7900 1165.6800 882.9200 2923.7900 1928.3300 2185.7300 1541.5500 1268.4300 1767.3100 2203.4300 1915.1200
Hydrogen oxalate 3420.7600 28888.3700 6488.6700 2867.3600 2721.0100 2203.3500 2433.2100 5237.4000 1997.5500 5197.7200 3221.1100 6473.5000
Hydrogen phosphate 11409.1900 10620.4100 9416.8900 9545.3200 20441.4000 13681.2600 16378.9000 15387.9500 12483.3500 12243.9900 12202.0200 16944.2400
Hydrogen sulfide 25692.0500 25663.9400 31342.5100 30093.2400 20456.3900 19916.6200 15916.5400 17942.3100 16802.9200 17261.2500 11987.2300 17993.0800
Hydroxyecdysone 3391.9000 14713.0600 342.7700 892.5200 5421.8000 20.3800 2463.2800 1925.4000 1493.0400 3029.1900 1365.3000 2297.0300
Hydroxyurea 52508.4900 54969.0000 55745.6800 55495.1100 43534.4400 51661.3400 38727.8700 45690.9500 48138.5900 40294.0600 46907.2100 46485.2100
Ile-His-Arg-Arg 1374.3000 1736.4600 1791.0400 2037.8400 1910.3000 1703.3200 1658.2300 1724.7500 1223.2600 855.5500 2482.7300 2640.6900
Ile-ile-thr 778.4600 2.2600 391.2800 502.7900 3.9800 1726.6700 7399.4700 6.2100 1343.6000 2319.8900 39.7900 6938.3200
Ile-Leu-Ala-Ile-Val 75496.8200 81700.8900 67736.7700 92979.8200 48226.7900 58376.2800 45363.5000 54276.6900 63724.1700 36652.4800 66904.1000 73959.4200
Ile-Lys-Arg-Asp-Phe 2820.6300 1915.7800 1792.2300 2684.7400 3625.3800 2380.0000 843.5800 1573.1700 859.7300 713.5900 813.3300 315.6400
Ile-Thr-Val-Lys-Leu 4502.0500 4834.9700 5497.5800 9628.1500 5416.2300 6833.2200 8809.9100 6447.2400 5627.2300 5166.2500 5649.2300 5873.4100
Ile-Val-Leu-Glu 32665.7800 28703.7300 27934.4300 26942.1000 29671.1800 27149.4200 29175.8200 24455.6500 27116.8600 28714.4300 31568.3700 31405.8400
Imibenconazole 9944.8100 15402.2100 17572.3100 17532.8200 5618.1500 8851.9300 5068.3600 6537.7100 8437.0200 3820.5500 9013.4700 7335.7400
Imidapril 2737.9100 2269.0700 2430.6300 2683.6600 2059.1800 2179.3200 1855.3400 1745.9500 2397.6800 2007.3300 2044.2500 1790.2900
Imidazole-4-methanol 93352.7700 125478.7000 124847.6700 127751.2200 69581.2000 85525.3000 66957.1400 76828.7200 83465.5500 53463.1200 86273.5800 90981.6600
Imipraminoxide 2738.1200 1768.8900 2275.0500 3261.9100 5824.4800 3704.2300 1210.9000 1515.3700 1163.4200 785.8500 1081.1100 605.4000
Imperialine 2930.8300 1758.2000 1138.2800 2558.5500 2668.8700 1190.3100 2475.0400 3548.8700 2005.3000 1227.3000 2882.2900 2872.1200
Indole 7431.5500 6473.6000 7889.8400 6953.9800 7040.8600 6983.7900 7180.9600 7735.3400 7129.8100 6430.2400 6852.7600 7191.4500
Indole-3-carbinol 1753.9800 2226.8300 2228.5700 1671.4300 2130.4200 2244.3800 2936.2700 2998.8600 2669.3000 2696.5800 2473.3800 1802.9800
Indole-3-carboxaldehyde 9443.1700 14863.7100 11102.4500 17892.7600 13126.2700 12518.3900 13705.4300 11250.4700 13120.6300 12620.9600 9855.2600 8433.1100
Indoleacetaldehyde 31429.5000 28765.2600 30675.4300 29975.4900 30462.6800 29750.3700 29260.3200 30936.7600 29277.7700 29178.3600 30953.4100 31192.8200
Indoleacetic acid 1426.9400 2569.9300 1536.0400 2983.4900 2282.7500 1920.2900 1849.8200 1141.9100 1486.8900 1513.4200 583.4400 722.4400
Indolepyruvate 1189.6100 2025.7400 1288.5900 1855.2800 1574.7900 1205.7000 1861.1300 2196.5000 2494.8600 1345.1700 2151.8000 1887.7700
Inosine triphosphate 11142.6800 12697.6800 11389.9900 16007.4000 11095.1600 13097.8000 13818.0600 18123.6800 14923.7100 19054.5300 16236.1100 18940.5100
Inosinic acid 817.2700 1096.3300 433.5600 3043.9200 5425.0800 99.7000 12.9600 27.6400 16.8500 29.5000 9.9100 5.7200
Inositol 1_3-bisphosphate 18615.4400 17097.4400 11326.0400 11364.6900 12519.2600 15878.3100 14467.1100 16869.0400 17399.1200 12547.9800 17871.7600 15766.3200
Iodotyrosine 4263.2800 4250.9200 3658.7200 3693.4300 3807.1900 10257.2300 3818.1200 3809.4300 3969.6500 3670.6600 3395.4500 3348.9800
Iriomoteolide 1a 1045.1700 1263.5200 1785.9800 2463.7900 819.8900 1551.5200 3572.8100 2110.2400 1105.2400 1663.6000 1737.0900 2010.0000
Isobutyl isothiocyanate 15977.4200 22699.4600 28977.0800 21163.8500 33537.9800 27653.8600 17276.3300 28827.5100 36381.9900 15898.8200 25995.0400 32096.9900
Isocarbamid 152659.4400 75218.6700 56228.0400 54240.1200 212418.8400 154406.5800 168161.8400 172254.5200 94981.2200 119122.2100 97809.8900 213674.8500
Isofraxidin 5162.0700 5241.4600 6045.5700 5172.2600 6699.8900 8289.5100 8268.1300 7380.5700 10615.9200 28726.0200 7201.9400 7210.5300
Isoliquiritigenin 1178.4700 1593.6700 1104.9000 2581.7400 1690.4000 886.1300 707.7100 2862.7900 2380.2500 2198.9600 1486.2300 2595.2300
Isopropyl dodecylfluorophosphonate 4246.6700 5058.7200 5434.7400 5087.6200 4600.8400 4688.7600 5439.9300 6032.7600 5743.4700 5114.4800 6792.9700 7303.8000
Isoprothiolane 9685.7300 7697.3600 8560.8800 7036.2300 9487.1500 8919.2800 9496.6200 9035.1900 8583.4800 10106.5600 9123.4200 9196.9700
Isorescinnamine_ dihydro- 43871.3700 30871.9200 34332.0000 29564.9500 30935.2700 55324.4300 55005.6500 67911.2200 66969.9700 50708.9900 87357.7400 69975.1600
Isoxathion 1960.5100 1803.7000 1311.8200 1773.6000 1687.7400 1320.0900 1823.0600 2010.9700 1923.0800 1897.7100 1677.4700 1824.1100
Itaconic acid 149665.3700 142491.4800 134457.5000 131388.3000 132428.1800 137060.3100 142768.0200 151212.8300 157964.1000 139655.5500 151038.8100 144953.9100
Jasmone 86728.3400 102803.4000 90599.4800 112115.2800 77396.8600 85461.9800 34565.3000 44570.1200 44905.8800 35416.0300 69507.7500 93794.8700
Juvenile hormone I 3638.9900 3793.7100 4783.1000 4157.9400 4834.5500 5337.7400 4435.3200 2990.5400 2571.6500 2154.5100 3126.0800 2229.6700
JWH 018 N-(4_5-epoxypentyl) analog 5308.5900 6312.7300 4874.9000 6184.0300 5816.9000 5865.7800 5262.8900 4821.1800 5304.4500 4275.9600 5124.5900 4218.9900
JWH 200-d5 1.6200 551.7700 444.5900 557.3400 1.8300 1088.1700 9040.7000 49.4800 7.8500 2575.2100 51.3300 8070.6800
Kinoprene 7314.9600 4032.4800 6502.0600 6549.5100 3419.1800 6248.7300 4062.8900 3837.2600 3962.7300 7260.3400 5142.4300 4414.1900
Kojibiose 49660.6200 36072.4500 33799.4600 33751.1200 143087.9800 78994.0400 83835.4700 78768.2700 66558.1700 86508.4400 101841.2900 53411.6000
Kynurenic acid 1712.8200 2912.3000 2134.7100 3235.5700 2335.4800 2529.1400 3100.9600 2308.7900 3083.2400 2936.2100 2224.3800 2293.2100
L-3-Aminodihydro-2(3H)-furanone 1551.7200 1386.8100 1413.4900 1631.8100 1472.9600 1597.4300 1623.4600 1398.5500 1528.5900 1848.0300 1788.2000 1735.0200
L-Alanyl-gamma-D-glutamyl-L-lysine 400.6900 598.0000 652.6600 951.4300 1646.3800 778.5500 3815.1900 901.7400 1562.7300 2411.2800 1408.1700 436.5600
L-Alanyl-L-alanine 303460.3600 148319.8100 22076.1500 33195.7400 330595.1800 274398.4400 361189.9300 386757.6400 161611.1500 118288.6000 220993.7100 458906.3800
L-Aspartic acid 11867.1900 11161.9300 10240.3400 10039.8600 16050.4600 12215.8800 13829.9700 12839.2400 11582.7700 12030.4300 10408.3500 14846.0500
Lauroyl diethanolamide 4116.2600 7009.9400 6070.5200 6177.4700 7475.9400 5568.5700 5823.6000 3508.1000 7397.3300 6824.4300 12401.4000 7855.5300
Lavendustin c 13381.9300 10050.9400 9460.6200 10155.7800 11991.5800 10203.3600 9485.1500 9506.1300 6930.8200 13706.1800 8845.4500 2403.3100
L-canavanine 3427.6200 3141.5200 3012.0100 3281.0900 2934.5300 2799.5000 2089.2900 2525.3600 2641.3700 2626.8100 2791.2100 1780.8400
Lecanoric acid 67799.3700 64172.5600 63075.1500 62292.3600 59326.6800 58022.5800 48306.9300 47837.7100 53896.8900 55107.4400 57547.8800 53910.9900
Lenticin 177.6300 400.6100 1.0500 20.6200 171.0500 2.2400 0.2800 0.1800 0.9900 0.4800 4.7000 2.1800
Letrozole 158.7900 166.2600 192.0900 218.1600 203.3900 270.8400 212.2900 205.3900 203.7700 208.8500 178.8900 193.6100
Leu-Ala-Met-Glu-Arg 2790.6700 3111.3800 3603.8800 3528.4200 1192.4100 2882.1500 3749.7000 5710.1600 6531.8700 3210.1400 4547.9600 6120.9700
Leucodelphidin 5016.0700 4277.4400 4871.1300 3770.4000 5376.8600 3862.0600 4979.6400 4561.7100 4060.6100 4707.6400 4405.5800 3991.0000
Leukotriene D4 methyl ester 831.2400 2906.1300 693.6800 562.5700 2515.0300 2438.4200 625.0000 1655.4200 1193.9000 837.6600 1237.0400 435.3800
Leupeptin 805.8000 497.7600 647.3600 702.0100 256.1000 375.0900 883.5800 858.6000 764.6000 873.9900 640.4100 680.6000
Leu-Ser-Leu-Glu-Glu 2140.4400 2294.5600 2291.4100 2146.1000 1456.2100 1576.1900 2087.0900 2313.8100 2217.9000 1786.0000 2614.9100 3283.3800
Leu-Thr-Gln-Gln-Leu 7921.6900 4913.4300 6665.7800 6905.9000 3363.3300 7748.2300 8155.2000 8854.0500 2995.6100 5737.1700 8482.2400 9250.8500
Leu-Thr-Phe-Gln-Met 3045.8400 2151.9900 2607.8600 2023.3900 2202.9700 3591.9200 3623.7700 3852.6600 4056.3200 3222.1000 5338.5200 4096.5300
Leu-Thr-Pro-Asp-Ala 2481.0600 7717.1200 4576.8100 7305.1100 7390.0300 5013.3700 3519.0900 5016.2100 5550.2000 3025.8800 6657.7600 2357.4700
Leu-Thr-Trp 2214.0800 2522.6400 3616.7800 4112.0600 3608.6000 4075.6900 3751.1500 3342.6700 2908.1600 3404.3500 4517.9500 3766.5500
Leu-Val-Val-Val-Asp 2865.2100 7687.2900 7300.4600 10446.0400 3464.3800 2834.9600 1651.0300 1399.3900 4636.3900 1619.0800 2831.0200 2313.6900
Leu-Val-Val-Val-Gly 3638.9300 3480.3400 4116.0100 3262.8200 2962.4700 3178.7200 3872.0800 4227.4500 3643.9200 3166.2900 3387.2600 3343.0300
Licoricesaponin B2 5186.1000 7529.3900 9459.5900 8275.4200 2270.1400 4501.3300 3033.2900 3330.4100 4162.0300 2875.9400 3625.8600 2431.4100
Lidocaine 907855.7900 1012031.1100 1054406.2200 1072392.7700 739714.8600 838095.3300 835378.5100 824584.5900 929132.6400 819671.4900 923918.6900 874063.8400
Liriodenine 15394.3200 13850.1900 14265.0500 14591.2400 14121.3400 14746.9700 14186.7800 3394.4000 12600.0100 15138.6100 13777.2000 13705.3900
L-Isoleucine 4566.0200 4195.2000 6114.3000 8118.2400 8579.7100 5079.6800 2013.9800 1871.2100 2527.2800 1250.7500 2965.2700 3121.1400
L-Leucyl-L-alanine 626.1300 177.8600 314.6000 10896.4100 163.1500 805.2300 13.8300 107.0000 17.2000 489.6700 2158.6100 291.2500
L-Lysine_ L-valyl-L-valyl- 4264.7500 6304.9200 7388.1500 6196.7900 4218.9500 9486.5700 5522.1900 8283.5600 6096.5900 4441.6000 4434.1600 8836.6600
L-Norleucine 4130.4800 3408.1500 3579.8500 2752.2200 3975.7500 3760.1500 3445.7100 3378.7500 3446.3700 3244.3500 3367.4800 3838.1100
L-Octanoylcarnitine 141109.1500 88528.1300 88847.9700 53798.5500 61383.1200 88354.8700 94900.0800 106611.6800 71526.8300 98109.1100 62139.9000 89152.6100
Longicamphenylone 4223.2900 5869.6500 5796.0200 5476.2500 3179.1700 4917.5400 3260.5900 3071.4500 4175.6400 3912.0800 4585.3600 4533.2800
Losartan 3-[(nitrooxy)methyl]benzoate 2232.8400 2251.5800 4295.8000 2667.4400 6758.1400 896.8100 704.2400 2193.6700 176.0400 661.7200 662.3600 910.7200
LPC(0:0/18:3) 3143.7700 4582.4400 4112.8000 4445.8600 5245.3900 3894.7800 3662.3900 3492.1000 5074.5500 3268.6100 5062.1000 3144.3900
LPC(0:0/20:4) 7637.5800 15173.2800 7501.0400 13770.3300 9947.0500 9386.0900 4770.6200 6264.9700 8483.4200 2847.2300 5540.3400 3801.4100
LPC(14:0/0:0) 3683.9000 3634.9700 4237.7900 4925.8400 2921.1300 2920.8700 1483.2300 2032.7900 2740.2800 697.7200 1830.2800 2349.6900
LPC(15:0/0:0) 2257.7800 2080.3600 2810.7100 3261.5800 2206.2600 1254.9900 921.8700 1694.0500 1525.8500 330.5500 881.1600 352.9400
LPC(16:0/0:0) 10310.2300 9514.6900 6667.1900 10851.5300 6622.4500 6360.1900 4395.4800 4359.0700 6796.2900 3270.4000 8639.9800 6669.0800
LPC(16:1/0:0) 3947.1500 8867.4000 6085.2500 9002.9900 4906.8900 4787.0000 2453.1600 2356.4900 5194.9500 1312.6100 5547.5600 1680.6600
LPC(18:1/0:0) 8793.8000 12490.2800 15643.4100 13700.6300 10284.6800 7940.4300 5192.2300 5797.7700 13598.2000 3186.5400 8634.1100 7331.4800
LPC(18:3/0:0) 2763.6600 3716.1900 2118.1700 4700.6300 2234.4700 2922.6100 795.0900 1688.7300 6574.1500 1057.8900 3163.1200 5753.2200
LPC(20:5/0:0) 3555.1900 6866.9200 3634.3300 9263.9200 3719.1200 2781.5000 2305.3100 2655.4400 3444.6700 1160.8700 3638.0800 1694.1000
LPC(22:6/0:0) 1295.5700 3082.8900 1956.7200 1904.1600 2766.7000 3244.9500 1135.1100 2629.9400 3645.0000 959.1800 1827.4300 934.4400
LPC(O-16:0/2:0) 7449.9500 7155.7000 9504.8300 6892.0700 3853.4300 4765.9200 3539.5100 4325.5200 4213.9200 2934.3000 5741.1400 6297.7000
LPC(O-18:0/0:0) 7922.1200 5909.8500 6265.8800 3587.1000 3214.7500 7992.5500 10131.3400 9332.8900 10145.0300 7579.1700 10960.2900 12915.7700
LPE(0:0/20:4) 2695.5300 5638.0800 2914.6300 2819.0600 3107.3100 3150.2900 2225.8500 2471.0900 3241.4100 1419.1900 2662.7100 1864.6900
LPE(14:0/0:0) 1520.3100 1596.6300 1919.4100 2017.3900 1442.3600 1021.9100 403.9900 593.9100 625.2800 194.9100 974.6700 371.8000
LPE(16:1/0:0) 10408.2900 14872.5600 15939.3700 20578.5300 10004.5300 14363.7400 4626.2100 6562.3500 10217.4200 4525.2000 9446.5600 5605.9900
LPE(18:0/0:0) 42670.0800 40805.9900 41356.6300 45116.9200 38400.2200 42558.7400 49285.5200 45967.6800 47460.9900 47617.1800 49344.5400 48028.3700
LPE(18:1/0:0) 3563.2700 3942.6500 3767.5000 5998.1900 4318.7100 4171.5600 3150.0600 2904.3000 5096.5600 2484.8600 3684.2800 4293.7200
LPE(18:2/0:0) 6136.6800 12434.4900 5872.1200 22031.8800 4802.8000 5316.4500 3203.0400 2982.0400 6827.6100 3138.0300 6808.7100 6669.8100
L-Phenylalanine 36738.1000 65487.1800 82785.7900 81144.0700 14304.5000 23923.3400 14901.3200 18970.9300 22556.7800 15671.4600 25054.0300 19062.1100
L-prolyl-L-tyrosine 1935.2200 1950.6000 1896.1400 1554.7700 1860.1000 2197.0300 1943.0700 1909.7000 1741.3400 2743.6400 1372.5200 1921.0200
L-Saccharopine 3396.4100 3010.1400 3462.1700 3329.0500 3456.8700 3431.0100 3939.6400 3737.9400 3553.6100 3571.8600 3898.6100 4383.7200
L-Serine 2302.9200 2170.1300 2340.7000 2647.9300 1859.8300 2321.5800 2705.6600 3005.8800 3236.1100 2960.7100 3310.7000 3106.8100
Lucidenic acid N 839.8500 1694.2200 2192.8300 3017.0600 3490.0400 1941.9300 965.2000 2322.5900 2374.4100 896.2700 2102.6600 458.5900
Lumichrome 356.0900 792.7300 517.9900 1330.6200 2006.1200 7202.3400 806.4900 246.5100 3826.3000 737.7800 596.8800 2262.6700
Lys-Ala-Glu 945.3600 1452.7700 1215.4600 4072.4200 6818.9400 391.3200 17.5000 8.5300 229.9400 76.9100 12.3400 62.8300
Lys-Ala-Leu-Glu 147299.9900 157382.7500 164950.6800 180236.9100 176031.0400 190718.6300 186159.5900 183421.8300 161726.3900 124695.3000 149230.0800 159135.1800
Lys-Cys-Val-Ala-Phe 1001.5400 1044.1600 1222.5000 652.5600 1774.6400 1575.8100 1778.8700 3249.7900 2294.6600 2354.4600 1949.4200 1851.5100
Lys-His-Met 628719.2600 559941.3800 608259.3200 668024.7500 680034.2900 984974.5000 631193.1000 792654.8600 630584.2800 484935.5200 580085.0300 610434.5500
Lys-Ile-Val-Lys 4679.2500 5647.5400 4412.3600 5008.8300 3531.7500 4358.9500 4454.8900 5949.3200 4440.8500 3585.5300 4988.5400 4547.4300
Lys-Leu-Asn-His-Gln 3759.0200 3649.2300 2789.4800 3955.9400 2134.1700 3564.5900 3922.0100 3338.5100 3654.0200 2252.4400 3057.9600 3095.7700
Lys-Leu-Thr-Arg 10110.9700 14174.3900 9283.5200 15596.7400 10217.6100 11139.2200 10865.3800 9640.9800 11053.5400 8060.7700 10311.3200 10462.2900
Lys-Met-His 44703.9500 40999.7900 56585.2300 59242.7700 54671.3600 63158.1900 65680.6800 50139.5300 44554.3400 51828.3200 78075.3100 70114.7900
Lyso-PAF c-18 2210.4600 4054.5100 2853.8800 3319.4600 1228.5300 4052.9900 176.4600 439.1300 569.7900 732.8700 1388.3300 501.4400
Lys-Phe-Leu-Glu 1093.0100 1564.9700 1068.7700 1433.4400 1636.9300 1156.7600 937.2800 2170.1100 2047.0400 2228.2200 1741.0500 1790.1900
Lys-Phe-Lys-Met-Lys 1832.1900 4819.5700 2025.2500 1385.9500 2106.8200 2083.8600 189.4300 1434.0400 442.2800 366.6700 1063.6900 638.6000
Lys-Ser-Asp-Glu-Thr 18843.9000 14851.2100 16762.5500 17458.1600 7619.0800 16089.2000 16097.8300 19723.9300 6823.5700 20.8000 15560.5000 21172.5900
Lys-Thr-Glu-Lys-Ala 6115.1500 5934.4600 6266.4500 5019.5000 1494.4600 4141.4200 4089.6600 4834.9000 4795.5800 3787.1800 6763.4600 7718.5400
Lys-Tyr-Phe 3769.9700 3895.6800 4343.6300 4775.3900 4214.3100 4868.1400 4753.2900 4319.3000 5207.6200 4451.2400 5254.9900 5081.6800
Lys-Tyr-Val-Lys 2481.1200 2218.7200 2807.3400 3398.1800 2901.4800 2860.7900 2789.1000 2427.6000 1713.8900 2023.4200 3704.5600 3700.0800
Maclurin 337965.5300 312676.4800 230362.1600 232716.0200 162199.8600 253275.2400 181889.9200 197203.2600 202937.4000 138849.1500 215361.8000 109113.2800
Mactraxanthin 6712.6100 4157.5000 4375.4400 4977.9400 3280.4100 2421.6700 3544.6200 3144.8000 3768.7100 3578.4300 2977.4100 3275.7400
Makisterone A 38136.6600 37030.9500 39982.8300 34360.7200 25370.0000 30899.0000 23376.5500 27800.3600 28257.5200 18572.7500 37466.9200 41695.0000
Maltopentaose 9157.0400 6545.1700 4753.6200 3598.9500 19804.0300 13185.6500 77757.0400 14890.0200 7268.2900 31815.9100 13508.1000 61477.4800
Maltotriose 98140.9700 57424.3000 48888.3100 42133.6000 121461.3600 133007.3400 194581.7700 129060.7800 59318.2700 99600.2600 109919.4000 125723.1400
Manglupenone 1694.5300 2580.8200 1658.9500 2596.5500 3812.7200 2249.6000 2067.2300 1870.6400 1724.4800 1177.4100 1100.1400 1105.3100
Marmesin 558.3100 707.9300 338.8300 5183.5800 286.1600 105.8700 73.8200 97.3900 26.9100 470.2100 1074.0000 294.3700
Maslinic acid 215.4900 195.2300 236.8200 152.8000 281.8400 155.0600 135.6500 91.8000 179.5800 105.7800 97.3600 120.8100
Matairesinol 3878.8700 4604.7300 4222.2900 3947.8400 4377.6300 3911.1700 4805.1200 4683.8300 4471.7600 4596.9700 3788.4700 4636.7200
Medifoxamine 1972.6400 900.9100 1307.2400 2091.3900 2438.9400 1184.8800 1361.9700 1680.3100 1519.5400 2368.8700 2079.4900 1997.7100
Mefenorex 2011.2000 1702.6100 1999.1500 1630.8000 1793.6100 1971.2900 2561.7000 2107.0000 2074.8700 1543.3200 4177.6900 1817.3800
Meldonium 3745.4100 3186.7500 3641.6900 3013.3900 4100.7100 3948.2100 5347.1600 4412.1100 5456.7100 14023.4700 4502.2500 3681.9000
Melibiose 10705.7300 28824.3600 29253.7500 44158.9600 13744.7300 14335.4600 17212.0000 22175.3900 34195.3600 19031.2800 55569.9200 6046.8100
Menadiol disulfate 32729.4300 50258.0300 55517.6400 55475.1700 14554.3200 26432.2100 15921.8300 18765.0000 29056.7500 15355.0800 28111.3600 20580.5900
Mequitazine 1382.3600 3018.6200 1829.2000 3417.1400 2598.0500 2817.6900 2860.2900 1933.6800 2636.1900 2573.5500 1780.3300 1563.6500
Metaproterenol 872.1300 1314.6600 1339.0400 1449.0300 977.4500 1419.3400 3777.8800 1985.9100 2802.7100 1045.2600 2256.4000 1735.4600
Metformin hydrochloride 2658.7100 2764.1200 2705.5100 2237.4300 3078.7000 2706.6300 3162.6700 2988.5000 2871.7000 2827.6700 2312.4400 2415.7800
Methacycline 3697.1000 1422.5900 3062.2600 54598.2000 1340.4400 283.8100 19.0400 321.1700 47.5300 2415.4700 9601.0500 2136.8700
Methamidophos 7381.4100 6916.4900 7646.8500 7981.1300 7919.0600 6210.5800 7688.2400 7062.4100 8392.2800 8862.4900 8713.9400 9092.3900
Methanesulfinate 3642.1200 3013.7200 2494.9300 2925.9200 2442.1100 2585.5800 1847.1500 2767.2500 3012.1600 2632.3000 2979.9200 1858.1800
Methanophenazine 564734.6800 470945.4500 257401.7200 470102.8800 283775.0700 263421.9800 274399.4700 363377.5300 362590.6900 237610.5800 347114.7100 589250.2300
Methenamine 5436.7800 6005.9700 5407.9600 5850.8000 5627.5900 6405.8300 5468.0400 6410.1600 7114.9900 6351.5500 6725.9800 6048.1200
Methimazole 5389.8300 4435.7100 5936.2700 4431.0600 7272.4300 8543.3700 8330.7200 7745.3900 7819.8800 7278.0300 7511.6000 8445.7500
Methionine 114982.8600 106743.0800 170719.8200 106232.6600 189528.3900 219911.9600 229904.8600 212693.6100 195583.3100 224888.8600 235638.7500 234674.1200
Methiothepin 3601.9500 2824.6900 3293.3500 3315.3700 866.1100 1900.8300 11106.8100 5147.4300 4434.8000 2842.3900 4203.3000 6314.1400
Met-His-OH 5073.7800 5540.3200 5018.6600 5166.6700 4539.6900 4838.5400 4841.7700 4660.9800 4708.3300 5350.2100 5178.3800 4935.6800
Methoxsalen 64884.2900 64048.8200 64746.7800 54675.7400 64685.8400 62070.7000 63221.6400 61037.0700 76965.6300 62845.6400 60605.4900 48034.6800
Methoxybauerenol 1430.0000 1867.7800 2175.1800 2166.5600 1446.6300 2024.1200 2636.5000 2345.7100 929.1400 1141.1900 1247.9600 2303.9100
methyl (1S_15R_17S_18S)-6-[(1S_12R_14R_15E_18S)-15-ethylidene-18-methoxycarbonyl-17-methyl-10_17-diazatetracyclo[12.3.1.03_11.04_9]octadeca-3(11)_4_6_8-tetraen-12-yl]-17-[(1R)-1-hydroxyethyl]-7-methoxy-3_13-diazapentacyclo[13.3.1.02_10.04_9.013_18]nonadeca-2(10)_4_6_8-tetraene-1-carboxylate 2117.7300 786.8800 1539.9500 1893.4800 2439.7800 3095.8200 836.4500 776.3600 963.9100 813.3500 999.0400 1092.9000
Methyl 2-chloro-3_5-dinitrobenzoate 1414.2100 936.7100 1069.4500 983.0500 2162.9400 2463.9800 2560.1100 2344.0400 2109.4900 2293.4100 2435.1600 2377.7900
Methyl 2-thiofuroate 1026.1000 1034.6500 894.1400 928.7800 1057.2000 1048.1900 1391.2100 1424.4600 1474.7500 1369.4700 1475.4500 1452.6600
methyl 4-(1-methylpyrrolidin-1-ium-3-yl)-3-oxobutanoate 46495.5000 44143.0200 44967.9400 44764.5300 44009.6000 47994.8500 50930.2700 37255.0100 49845.8900 38238.3300 62792.4800 47967.6600
Methyl 4-amino-3_5_6-trichloropicolinate 8721.3000 7897.5600 8404.3700 8111.0200 7890.3000 8199.5400 7666.9000 8535.9800 8111.6700 8355.8900 8270.6400 7865.8400
Methyl 4-hydroxycinnamate 173816.0200 156824.2700 167265.0800 161642.4200 166333.5100 166462.8000 163340.6300 166256.8800 163375.5000 148474.1100 171294.3300 171925.1200
Methyl 5-bromo-2-fluoro-3-nitrobenzoate 3390.8900 2515.9000 2486.9900 2666.1300 3196.4100 2360.9600 3710.5100 2671.1500 1610.2800 2557.7800 2612.7800 2458.6700
Methylarsonite 16971.8100 17609.0100 17795.7500 16429.8100 17208.7600 16665.6600 17250.0200 17571.5500 16860.9100 17775.7200 16301.0600 15910.8600
Methyl caprylate 65508.7700 100808.7500 100488.7700 113565.2800 114619.4000 127715.5400 87199.5200 74889.8400 117834.5800 120458.5300 86799.7900 119405.6500
Methyl cholate 26488.2200 16586.7200 84.3400 253.6200 3541.8700 1987.2100 3185.8400 2399.9800 4986.0500 2070.9100 7866.3600 6667.9800
Methyl cinnamate 20047.6500 9904.6900 24572.3300 19158.7000 16631.0400 15503.6900 19719.3000 19150.8600 17545.2400 20409.8900 18720.0600 18345.9700
Methyl dioxindole-3-acetate 9469.8800 16261.7000 11151.2100 19049.2400 13544.7200 12517.1700 13786.0900 11245.2700 13350.1000 12316.1800 9035.4300 8112.4900
Methyldiphenylphosphine 35761.7700 27082.4800 39083.4000 31631.8000 21697.7600 23985.8600 18738.2300 21849.2700 30281.2600 19000.6800 22360.7300 21047.7900
Methylthiouracil 17165.6700 22048.2400 21420.1600 21003.3300 12805.7500 14850.5000 11832.3700 14676.4100 14640.0900 9932.5300 15275.9900 15460.3300
Met-Met 14673.8900 20096.8200 38103.7500 43225.2100 36525.9000 43734.8900 37004.2200 29628.8500 22714.4400 29384.6900 51116.4200 43223.5800
Metronidazole 2759.5300 5405.6800 3887.5100 6956.7300 5358.7500 4891.0500 4817.7000 4392.0300 5428.9500 5309.5600 3708.5500 3226.2500
Met-Ser-Phe-Thr-Phe 10652.1800 9195.3600 11335.1600 9633.8100 6775.6500 7569.7700 7597.9400 8230.8200 7785.3600 6003.1500 9334.6700 10347.6600
Met-Thr-Ser 4099.9400 6039.9000 3752.3300 6889.9600 5372.2500 4846.4900 4967.6800 4201.5300 4188.3400 3371.8500 4289.7000 2745.8100
Metyrapone 105513.2600 52363.1600 40704.9600 38169.7000 141608.5900 105971.1800 109326.0600 109984.0900 63647.1800 75433.0700 61965.9200 143736.1000
MG(0:0/18:2(9Z_12Z)/0:0) 1573.3000 1145.5900 1441.3400 2419.4300 1351.9000 957.2300 1086.0600 1050.7200 1556.8900 1070.6500 1331.4600 852.6800
MG(16:0/0:0/0:0) 9195.3400 7910.3300 9343.8200 5616.6200 7958.7700 6665.3500 8169.4900 9059.8000 8709.2400 9025.4000 12473.8500 8804.2700
MG(18:0/0:0/0:0) 731.1900 1407.7200 716.8300 425.6800 633.2500 610.0900 1317.3200 1319.3200 1265.3600 1759.5000 1366.4200 1453.6400
MG(18:2/0:0/0:0) 3103.2800 2725.0600 3132.8500 3412.1000 3858.0600 3114.1400 5593.8400 5307.1100 3099.3700 2684.3500 3084.4700 2966.8000
Miconazole nitrate 2413.3100 3017.6700 946.1400 1502.9600 83.5600 2329.1300 1445.8300 1058.2700 1880.9300 1567.5300 1148.5600 1528.7900
Misoprostol 1131.0900 1450.1600 1541.4600 1652.9700 1566.1200 1657.5700 1547.6400 1249.1000 660.8800 951.8900 2025.1700 1784.7500
Mitoglitazone 5026.0100 4733.1200 3360.6200 4620.9000 3015.4200 4617.8000 4468.5000 4316.3100 4094.7200 7553.8900 4065.4500 2832.4000
Momordicilin 21577.1900 18508.9800 20130.2100 16656.7500 13732.0600 21094.4500 21881.9600 15879.2200 22963.3300 24094.1100 27067.5900 17054.5100
Monomethyl phenylphosphonate 6954.7500 6209.6900 6830.6200 7212.1900 6359.3000 7048.1300 6424.3200 8055.2100 6307.0600 9174.3500 6939.9200 5925.4200
moracin I 0.8300 0.8800 2.7500 843.0300 4.0700 1.1700 0.7000 0.4300 49.3500 0.1200 1.9400 1.2800
Morphine N-oxide 4579.4400 4848.1500 5226.1600 4024.0400 1546.8800 3051.7100 2953.2700 3577.3300 4424.0200 1880.4000 6008.9200 5666.8300
Morpholin-4-ium (4-methoxyphenyl)morpholin-4-ylphosphinodithioate 1044.1700 1685.1400 1132.0000 1934.7400 1636.1300 1627.6300 1619.5000 1039.8300 1966.6900 1604.3300 1186.3100 1021.6600
Mycinamicin IV 16155.8900 19882.9700 22513.0400 22719.8000 5709.2200 10910.2500 6371.6900 8170.4000 11671.7900 8723.3700 10978.1500 5519.9400
Mycolactone 10568.1400 13018.9500 23036.5500 35942.9300 51227.1700 55144.9900 49425.6500 52128.6300 50141.6100 49922.4500 7988.5100 52122.1600
Myosmine 11663.4100 15534.6600 13961.9100 12972.2900 9323.9200 11293.3800 4237.3500 6302.7200 6174.3100 3043.4800 9735.4000 8844.8100
N-(1_3-Dihydroxyoctadecan-2-YL)-6-[(7-nitro-2_1_3-benzoxadiazol-4-YL)amino]hexanamide 708581.8500 913146.7500 662162.4200 833527.6100 479048.1000 540927.6800 557104.4100 569107.5200 630424.0700 420962.9500 733349.1200 941198.7500
N-(13-Methyltetradecyl)acetamide 3355.1000 3005.3900 3064.9300 2295.6100 2306.0100 2838.2100 3830.8200 3531.6400 3443.1600 3509.7200 3954.9200 4078.8500
N-(13Z-docosenoyl)-sphing-4-enine-1-phosphocholine 4864.5100 7171.5500 5974.5400 4679.2600 5721.6000 3358.7100 3281.7000 3818.7000 5239.7500 3722.3500 2359.1500 1969.9500
N2-(1-Carboxyethyl)-L-arginine 2935.2900 11005.8400 5206.2700 9253.5100 9683.2000 6470.9400 4501.1800 6135.1000 7567.6100 3827.8900 8623.5500 3015.3400
N-[2-(3_4-Dihydroxyphenyl)ethyl]hexadecanamide 208.7400 9.5200 744.8100 368.3100 839.0600 217.9500 328.6500 338.6100 116.9100 155.9300 654.5400 829.2200
N-(2-Hydroxyethyl)docosanamide 6779.9600 6161.5700 6576.9200 7702.9800 7030.6400 6891.1800 7293.7300 7370.8200 6794.0300 7698.5700 7918.2000 7453.8400
N-(2-hydroxyethyl)icosanamide 170.2700 178.4800 135.3400 112.3100 76.7900 120.0400 156.5400 171.0800 125.2500 105.5400 125.2700 104.4000
N2_N2-Dimethylguanosine 2684.6700 1723.4000 1685.0800 963.0400 2987.8100 1278.6600 2762.6000 7259.7100 3119.1100 1862.8400 5408.8600 3203.6100
N-(3_5-Dichlorophenyl)succinimide 8332.1200 14156.2300 18480.1200 17095.7400 2253.8700 5734.9500 3759.5500 4641.1400 5264.3700 2091.2200 5673.6800 4305.6100
N-(3-bromo-4-methoxybenzyl)cyclohexanamine 2007.4300 1969.0200 2682.3500 1335.3300 2445.0600 3219.3500 3404.6800 3033.4400 4041.6400 9448.1900 3005.2700 2843.6400
N-(3-propan-2-yloxypropyl)-7H-purin-6-amine 15015.3800 5008.6900 973.1400 6034.7500 4213.5600 5462.0600 6742.0600 7229.1800 1913.7100 3252.9500 2881.0200 7955.6200
N-[(3S)-Tetrahydro-2-oxo-3-furanyl]hexadecanamide 7226.7700 6958.1400 7582.2600 6478.9100 6311.4800 6497.6600 5500.9400 5641.2800 6691.2900 4795.1500 5684.5900 5896.8200
N-[(3S)-Tetrahydro-2-oxo-3-furanyl]octadecanamide 38.8000 12.7700 29.0300 10.6200 8.6600 6.2000 15.9500 6.9000 12.0800 6.0300 8.4900 15.5500
N-(4_5-dimethylthiophen-2-yl)acetamide 1337.6000 3066.9300 3060.2200 2497.0100 1252.0400 1795.1200 1306.4600 1321.1600 1671.9100 764.1700 2339.5200 1907.7200
N-(4-aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide 111052.4200 105255.1500 129031.7600 110242.5400 75653.8200 112950.5400 134566.5300 112439.5800 193251.7300 598107.6600 125523.5400 132566.8000
N-(5-Adamant-1-yl methoxy)pentyl deoxynojirimycin 552.5800 516.0000 571.7100 513.8600 412.7400 397.9100 725.4300 537.3100 706.5300 580.1800 654.7200 747.8700
n-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide 1604.9800 1708.3200 1404.6300 1463.3500 1882.8200 1518.8900 2095.2400 1553.9600 1772.7300 1701.0400 1371.1600 1586.4400
N-acetyl-D-glucosaminic acid 1493.8800 1628.5700 1870.9500 1925.0400 1692.9600 2095.0100 2355.2200 1063.3900 1735.7500 1499.2100 2762.7700 2142.6600
N-Acetyl-DL-methionine 9824.5700 5563.8400 3890.4500 6346.0200 13691.0700 6127.4600 7287.0300 7604.1400 7455.6500 10306.8400 2768.2500 9386.7600
N-acetyl-L-citrullinate 5999.9600 22409.9600 15373.0400 15350.5100 17229.4500 14241.6500 16333.5000 23117.7300 16085.5500 17158.7300 21885.0700 18943.5500
N-Acetyl-L-glutamyl 5-phosphate 1314.9100 3883.6100 1677.9700 3636.5200 7223.6900 4242.7100 7695.6000 4660.4300 6081.8500 5468.9400 3442.3200 1585.0300
N-acetyl-LL-2_6-diaminopimelic acid 2905.0400 3078.3100 3094.3400 3589.4400 3179.9500 4122.1200 3786.2700 3418.4800 3065.7400 3364.8900 4632.3600 4177.5300
Nagaba 970.1100 4631.5800 7662.0000 3164.0500 3580.8400 496.4500 4116.9600 5111.8900 3516.4800 3191.5300 6094.7700 6076.8100
Nap-His-OH 985.1400 1542.5000 1162.7300 1763.6600 1333.9500 2035.0000 1623.4300 1681.8400 1435.7800 1502.2100 1904.9000 1400.4900
Naptalam 566.7900 1232.8200 547.4200 1730.3600 1136.7300 633.4500 533.3800 2209.6300 1372.4000 2594.3400 885.2600 4208.7800
Naringenin-7-O-glucoside 13775.2100 7037.3300 6452.6800 7108.2800 11673.9000 15320.6500 18498.3900 8114.6800 5638.5900 15961.5800 5251.7600 17378.1000
Nbd-ceramide 2280.8800 2700.5200 2741.2500 2490.4200 1663.9500 2169.6500 1686.6900 2150.9900 2057.1800 1440.9900 3185.5100 2847.3000
N-benzyl-5-bromofuran-2-carboxamide 10304.2600 14410.6400 10604.5000 14903.9500 11273.1700 11834.9200 9573.3900 9518.1900 8952.2900 6511.9700 11048.7600 10086.1400
n-Benzylacetamidine 7796.0400 9121.5100 9026.3600 7639.8900 9174.9400 8178.1400 8394.5300 9721.0000 9887.3900 9650.5300 9673.3100 9447.1100
N-Benzyloxycarbonylglycine 4385.1100 4691.0000 3246.6100 4789.8500 4480.2000 4156.1100 4049.6100 3604.8200 3817.1900 3207.5600 3565.8800 3306.8700
N-Benzyloxycarbonyl-L-leucine 31960.9200 20176.1500 22849.3500 17736.0400 16025.6600 37930.7000 35645.8800 36251.0000 37811.7900 23344.2400 31454.2700 40113.8800
N-Butyl-11-[(7R_8R_9S_13S_14S_17S)-3_17-dihydroxy-13-methyl-7_8_9_11_12_13_14_15_16_17-decahydro-6H-cyclopenta[A]phenanthren-7-YL]-N-methylundecanamide 14529.3500 13962.1900 14403.9400 15198.8600 12951.5800 15213.0200 15544.3700 15380.4900 15676.7300 17929.0800 17587.5700 15831.7200
N-Caffeoyl serotonin 788.9900 1516.4600 641.9400 2488.5300 1786.4600 2127.1800 1737.1000 1206.8400 1692.9700 1729.9000 978.6300 988.5800
n-cis-Feruloyltyramine 2034.0500 1630.8600 2624.4100 3425.0300 3983.2300 3515.1200 2607.7800 2348.9400 2913.4600 3664.3700 1896.3400 1962.0000
N-Coumaroyl serotonin 1987.9300 2754.0700 1561.8300 2724.3100 2398.1400 1876.1300 2135.9200 2662.0300 1945.5100 853.5700 1843.8900 1437.4600
N-Cyclohexylformamide 3054.7900 3488.9500 2462.0100 2293.5000 2810.6600 2828.9600 2957.0000 2758.4400 3217.6100 3576.8600 3325.0100 3052.5200
N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide 2758.5200 6381.8400 4788.1700 2713.1100 4755.9700 4060.6100 2602.7600 2723.3800 6072.8800 1689.9100 2606.3700 2318.5300
N-Desmethyl tapentadol 1916.8400 2088.6200 2381.9800 2456.5800 2225.3300 5005.0000 1275.4200 2082.8100 2024.1700 2628.9000 1897.7600 2985.8200
Neotigogenin acetate 10233.8100 10420.1500 17121.5800 19430.7000 10238.2300 12410.9400 6511.1400 8372.9300 14735.7500 22091.4100 9300.4400 31015.8800
N-Ethylacetamide 38418.7500 53432.3400 55177.8700 54565.7300 31422.7800 36657.0000 28198.6400 31250.8300 34804.6800 22222.8200 36329.8300 36860.6900
Neu5Ac2-6Gal1-4GlcSp 1939.6300 3701.8100 3375.3000 6881.1100 5535.9300 3427.2200 1341.2900 1788.9400 2484.2000 2064.1100 3256.5500 2778.7100
N-Formyldemecolcine 4518.5300 4961.3800 4545.0500 4901.4300 5733.1500 5604.7200 6970.4600 6478.9500 7279.7200 7768.1600 6538.1600 6118.4000
N-formylmaleamic acid 1842.9300 1457.5900 2085.6900 1044.7700 1876.1300 1880.7400 1971.3400 1961.3500 1812.1800 1474.2200 1769.3200 2004.5700
Niacinamide 2424.5500 2416.7700 2229.0000 2309.6900 2649.1300 2242.7200 2890.2100 2295.1500 2794.4400 983.0100 1317.3000 2252.5200
Niclosamide 9667.0800 9597.2100 9899.3800 10040.8400 9238.0900 9294.3700 9992.6900 10738.3100 10444.5100 11085.9900 11146.1200 11000.2000
Nicotinamide mononucleotide 2569.7000 3165.9200 904.8200 844.8000 2137.4400 2460.0600 2691.6200 1740.2000 1228.4900 2161.0400 2766.9100 3090.7600
Nicotine 44343.7100 51329.0300 44655.0400 56765.4000 65326.0100 106391.0100 63890.3100 52404.1200 50502.4700 61755.4000 52376.7900 51966.4400
Nilutamide 1778.1400 1306.2000 1222.4000 423.2700 2148.5900 528.0000 1286.8500 3388.2800 1332.8900 1085.8300 1791.7300 1707.3900
N-(indole-3-acetyl)-L-leucine 2955.6000 5101.5900 3668.3100 6071.5300 4457.5400 4739.5800 4103.0400 3029.1800 3455.1700 3055.3900 2620.5000 1829.9200
Nitromethane 1759.3900 2209.5000 1671.1300 1965.8400 3921.5500 2149.4500 3313.5800 2476.3900 2285.5400 2492.8000 1962.6600 2820.4600
Nitroxoline 2183.2100 2262.4200 2256.0100 1810.2700 2038.7700 1460.3400 2497.9300 2663.3000 2987.8800 2793.0300 2832.0600 2979.1900
N-METHYLANILINE 4120.1100 4145.6500 4182.6900 4344.9100 4109.1000 4232.7400 4461.5500 4347.6200 5081.1600 4525.7700 4168.8000 3648.1600
N-methylundec-10-enamide 5712.4100 6565.6400 7701.4400 8493.3500 7185.7500 15786.2200 5385.9900 6723.2300 6637.9200 7298.3700 5947.0700 9835.7400
N_-N-diacetyl-O-methylhydroxylamine 79862.0700 117188.3200 110228.3700 92361.7400 124566.7900 107199.0700 102400.8000 101450.0500 99424.4200 74063.4600 103035.1800 94633.6000
N_N-Dimethylaniline 25337.8500 24350.9800 31542.1900 32921.6800 32137.1200 39086.1600 34407.3500 29884.1200 27225.3800 30696.2500 42384.3700 40023.8900
N_N-Dimethyl-N^-(3-thienylmethyl)-1_2-ethanediamine 1212630.8400 638827.6600 654525.2300 434036.3700 688752.5800 676916.1300 585325.7000 489004.9200 484747.3100 488302.6900 657812.7600 442159.7200
N_N-dimethylsphingosine 1039.5900 6017.7200 4739.5800 1812.7400 3548.6800 552.2200 3304.3100 4819.3300 3067.5000 3268.1800 6988.6500 7491.0600
N_N_N-Trimethyl-Histidine 19657.9700 25105.3900 45010.7500 52246.1900 46949.8500 56364.8500 46346.8800 38959.5000 28843.6500 37606.5800 62228.9500 57336.8100
N-octanoylsphingosine 6356.9000 5448.1300 5953.9400 6675.2000 5556.9300 6067.3100 6985.4100 7038.8700 6619.5300 7314.0700 6730.9000 6611.7400
N-octanoylsphingosine 1-phosphate 48.8500 2.4400 76.8100 624.8400 3.9100 1.9300 0.9000 0.9000 0.3300 0.8500 2.4200 0.6800
Nomifensine maleate 6371.9200 5981.7900 6298.6300 5937.4800 6489.4100 6050.2500 6394.8700 6114.0600 6043.1900 5619.6400 5840.0200 5609.6300
Nonoxynol-9 434.3800 471.1300 2569.6800 3303.9500 3103.5200 3362.9100 3259.6400 4829.4600 3266.2200 2132.4000 2289.7300 1764.2500
Nootkatol 3301.9900 4100.8700 3428.0400 4033.9500 4610.9100 3191.7200 3107.6100 2981.2300 3433.2300 2869.8600 2963.7200 3044.5400
Norcamphor 1364.1000 1382.8400 1732.9200 1302.4400 1343.4700 1660.5800 1473.7700 1330.5100 1817.1700 1373.1700 1746.2100 1983.2900
Noscapine 5184.1200 5342.4300 4711.0300 3907.7600 5042.7500 4993.3400 4285.9600 4369.0100 3996.5000 3681.3900 5082.6400 4151.8000
N-pentadecanoyl-L-Homoserine lactone 2544.9700 4657.4300 4441.4300 7696.5400 2620.5500 3051.1200 3350.7900 2561.0300 2689.0400 2455.0400 3416.5500 3437.6000
NSC 23766 trihydrochloride 98.6300 618.6600 2632.8400 184.9500 1908.8300 80.7900 425.9700 195.8000 518.6300 270.3600 519.6000 294.8800
N-tetradecanoyl-L-Homoserine Lactone 8967.7800 12846.0600 13931.3100 13664.5400 13350.3200 17534.6200 11785.3000 9402.0500 19557.4600 18911.9400 13367.1700 15556.2100
N-trans-Feruloyloctopamine 4674.7900 1958.1300 2470.4900 8676.1300 2905.2600 2236.2200 1057.7300 1136.4200 1970.0100 1957.4600 3548.9300 2173.8800
N-Undecanoylglycine 20970.0900 27105.3700 31478.2300 32879.4600 28236.0200 68483.8100 19925.6800 24753.5200 26290.4000 35302.7900 24178.0800 39916.6800
O2-Vinyl 1-(Pyrrolidin-1-yl)diazen-1-ium-1_2-diolate 1013.5300 1589.9600 1421.3200 1414.7000 1812.7300 1893.9100 2035.4700 1966.7700 2676.6200 2222.1000 1868.7500 1977.4300
O-Acetyl-L-homoserine hydrochloride 5737.9800 6373.2400 4338.3600 7991.6300 39193.2800 18707.6200 18618.7300 10656.5500 11631.0200 19089.9800 11211.4800 13944.0400
Obacunone 395080.3300 338430.9000 383921.4800 402997.6600 390659.7800 531865.5600 387383.6800 456334.2600 358428.6300 289163.5500 338898.5000 369672.0700
Octadecadienamide 7133.3400 4881.1400 5527.2300 14704.6500 5055.4500 11272.0400 10138.5700 4676.9000 11534.0600 7877.7100 7397.6300 13508.9200
Octadecylamine 1314.9600 2224.4800 785.2200 1658.8800 750.1500 1288.1700 1474.8600 3745.4400 18660.4600 2197.2200 697.6900 875.8400
Octafluorocyclobutane 7169.6600 6807.9100 6716.9100 7524.0900 7336.4500 7455.0400 6976.8600 7629.3400 7470.7100 8178.6100 7931.2100 8163.3900
Octylamine 1136.2000 1161.0900 1512.9900 988.8900 1480.7600 1649.7900 893.8600 1380.4300 969.7000 1547.3800 1405.5100 1252.4700
Oleamide 30483.0900 18289.0000 19305.8700 44320.2900 19531.0000 40183.9600 34178.6900 13173.3000 36773.3300 24708.3900 29412.6800 53859.4700
Oleana-12-ene-3beta_28-diol 3-[(Z)-3-(4-hydroxyphenyl)propenoate] 0.9700 16.8300 3.9800 8.9100 6.2800 4.8300 8.0300 10.6800 14.4100 3.9900 11.7300 1.9300
Oleic acid 641.0300 1770.4900 421.2400 1460.2900 1747.7500 1879.2700 92.6600 737.1900 598.9600 138.2200 635.0300 8.4300
Oleic Acid-biotin 31539.0300 30738.7300 29754.5500 25030.6000 15827.6500 22242.2100 15116.9400 19795.8100 19062.3200 13366.1300 27866.2900 30516.0900
Oleoyl Ethanolamide-d4 4272.8500 4060.9000 4814.4900 6066.1600 3320.2800 3459.2500 3425.2100 4550.2400 4084.5400 4017.0300 4833.4600 3883.5700
O-Methylsterigmatocystin 3060.9100 2579.9600 3228.6700 2794.1400 3528.7400 3728.2800 4080.7600 3984.7700 3929.1300 4188.8900 4870.1100 4720.5500
Ondansetron hydrochloride dihydrate 4822.8400 2362.1500 3641.6900 2478.1300 6204.9700 1589.2400 2605.1500 3112.4600 2802.0700 1561.3200 3859.9000 2534.8900
O_O-Diethyl hydrogen thiophosphate 106255.4800 151273.6500 154108.7900 142120.2900 148539.1700 130731.4700 92701.9300 83214.3600 89444.0200 152127.2400 153339.8800 143011.1700
o-Phenylenediamine 4658.5000 4339.3400 4167.8900 3335.9300 6116.3300 5303.7900 6557.3300 5755.2100 5994.7200 6044.2700 5589.5700 5795.2400
Ortophosphate 434207.4300 481422.5500 516702.6200 390784.9100 255741.0600 359782.7100 269582.3300 303341.6400 362397.8200 291484.8600 342738.7500 278500.3700
Oxalic acid 33776.0300 41163.7000 42621.5700 47578.0200 25053.9600 25298.6200 17367.9100 20270.5500 23489.4800 19179.0400 9675.2400 22786.6400
Oxandrolone 1955.3500 2453.0200 2147.3000 1516.6500 1265.7300 1463.8200 574.3700 1003.0800 1097.3100 429.0100 1588.9500 2149.7800
Oxibendazole 1298.6800 1405.2900 937.4600 3727.2500 2417.1300 2267.8900 820.1300 1523.9900 1682.5900 722.1000 1095.1500 3653.4800
Oxotremorine 10525.7000 12901.6900 10023.2900 12272.1300 9945.1900 12914.9700 12231.3100 10820.0400 11431.6000 12044.7800 14513.4400 15071.7200
Oxymatrine 3583.4200 3202.6800 4159.9800 6397.9700 4295.4700 5042.2500 7510.1700 4416.3100 4029.0600 4131.1700 4304.3500 4379.3600
Ozagrel 2847.4100 755.6900 1510.1900 58303.1400 966.7600 135.4800 52.0900 231.0000 44.9300 1953.8200 9048.5000 1166.0300
Ozone 5872.3100 9444.7300 14814.4200 14653.2100 17895.6300 9603.9300 8941.2500 19020.3900 17732.6700 6880.0400 17318.0000 16795.2000
P1_P4-Bis(5^-adenosyl) tetraphosphate 857.4600 1880.6800 2362.4100 486.8000 180.5600 218.6200 327.5300 904.8000 206.5200 1248.3000 497.6300 298.5100
Pachyrrhizin 3690.0300 3605.6800 4361.8500 2960.4400 4502.3700 6430.1900 6893.8500 5261.6000 8766.9800 23894.1700 6087.4700 5819.6000
Palmitic amide 19156.1800 26569.6600 23272.6000 34798.5600 21999.9200 21129.0400 27206.9500 21848.1200 18669.3100 14689.0600 33340.0000 40558.7400
Panaxatriol 8166.8800 10271.7200 8510.3500 11237.6400 9277.3500 9230.5900 9700.1000 8735.3400 8747.3500 8307.6300 8989.5800 8743.8800
Paraoxon 181829.8800 158703.8400 174915.7100 144908.0700 174547.7500 214906.4900 194135.6700 228159.8000 177836.9300 112511.6900 235624.6400 261483.8200
Pargyline 145045.4600 148337.8100 136175.1000 139816.9200 148941.7700 140045.7900 145264.5700 138287.6200 139485.5900 139373.6400 119940.3500 117687.5500
Paritaprevir 552.2000 42.8500 231.7200 590.6700 9347.1400 4404.0200 7147.1800 4021.7800 2849.2900 5061.4600 3164.3000 5498.6100
Paromamine 2091.3200 1751.0900 1162.0500 1906.4200 1373.5100 2033.9800 1111.4700 1674.4100 1922.3500 1796.9000 2011.9000 1323.9300
pateamine A 13690.2400 13738.0800 15234.9500 15983.6800 14907.1500 16543.5700 16634.2800 15733.9000 14657.9200 15332.2600 17420.4800 17629.1200
Pavetannin B6 1078.5500 1158.5200 680.5700 480.9300 8746.7800 2774.1400 3313.0400 1945.7000 1614.4700 620.0300 1053.9500 881.7100
PC(16:0/2:0) 22841.4400 41479.7300 39933.4800 42509.6100 37473.6600 29806.0800 16596.9100 17888.8700 40732.4700 11983.4900 35456.4200 25593.6100
PC(18:0/18:2) 1777.1000 1786.3700 2263.9200 1671.4700 1099.8200 2266.1000 2386.5600 1499.9100 1118.8600 1622.4100 1834.6300 1906.5900
PC(8:0/8:0) 1204.3800 1472.0900 1107.6200 3077.7500 1674.0400 2121.3000 2797.3000 2180.4400 1185.2300 1447.8200 1063.4800 1887.8000
PC(O-16:0/O-1:0) 54459.7700 71713.8100 52593.3100 82384.9800 54594.4900 53874.1500 53860.5200 48608.7100 55522.0400 39500.7800 49943.5200 50869.4000
PC(O-16:0/O-2:0) 17775.5000 16601.4000 17231.4300 16023.5200 8352.4200 14115.1100 14847.5000 15298.1800 16035.7800 11055.5300 19731.5700 24863.1200
PC(o-22:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z)) 264461.4800 333429.5100 255313.4300 348139.8300 287297.5000 277021.8800 301877.9500 264827.0200 297018.1700 236900.0900 250586.5400 261667.7100
p-Coumaryl alcohol 4-O-glucoside 16191.5500 15804.4300 19259.5000 21670.2300 20426.7600 24982.0600 22507.7100 19418.3600 17547.8200 20055.5500 27104.3100 25558.4300
PE(20:1(11Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z)) 5839.6900 4000.4300 2811.0400 1292.1500 16856.7100 8996.9400 64972.3200 48059.4800 30265.2700 9586.5200 7428.0700 6751.3500
Pectolinarigenin 90.0300 141.7700 93.6600 587.9200 604.5900 342.7200 960.7100 207.1800 1436.3500 831.5900 4203.6000 1201.4000
(+)-Penbutolol 2781954.5800 2910362.9800 3116804.2100 2962686.4100 2892338.9800 2430595.3100 3036813.0600 3154243.8200 3025974.8000 2670805.4000 3026366.6500 2969134.7100
Penciclovir 1022.4200 1426.2000 204.0700 1885.0300 9611.6500 276.2300 56.8700 37.7000 31.3200 38.8500 2.3600 8.8600
PE-NMe(16:0/16:0) 7856.1200 5439.3700 10689.6000 7148.8500 5910.9700 7670.9500 5432.0400 8825.4700 10825.3100 3948.2100 12390.0900 6900.2600
PE-NMe(20:4(5Z_8Z_11Z_14Z)/20:4(5Z_8Z_11Z_14Z)) 4279.7100 5682.8100 9433.7100 30406.1500 8587.1900 7474.8100 6412.6600 478.5400 4184.1800 5160.0900 7125.2300 6256.6000
PE-NMe2(16:0/16:0) 10142.4800 12640.3900 10838.9600 10782.7800 9207.9100 21961.9000 10204.7400 9073.0200 10083.0000 10089.3900 13460.6700 10055.6500
PE-NMe2(18:1(9Z)/18:1(9Z)) 156.3000 144.4500 116.4100 251.1600 186.7800 192.6800 237.8600 123.8100 164.3200 333.7200 342.6600 456.9400
Pentadecylamine 2552.8500 1964.9500 968.5400 3343.5300 2094.4800 1630.5200 1216.5100 841.5000 558.7100 1720.0400 1383.4900 2784.0200
Pentamycin 1159.2200 5203.8300 3135.6600 2846.9000 3303.0500 3354.1600 367.3300 1121.9100 163.4200 1982.5900 636.6900 5607.0000
Pentyl hexanoate 43.0400 43.5700 43.0200 43.0700 25.5900 34.7000 30.2200 9.5100 42.7900 23.2100 22.6100 10.2900
Perhexiline maleate 1215.7000 2405.3200 2690.3900 2863.8400 2186.1700 1927.4900 1068.3700 1472.7700 3707.7100 444.7200 1788.6600 1096.6200
PG(16:1(9Z)/22:4(7Z_10Z_13Z_16Z)) 73252.0700 497112.2400 186477.2100 99082.9200 135354.2600 250436.4100 202425.5000 112978.0800 158911.9900 106082.3100 116117.9700 119272.6700
PG(a-13:0/i-14:0) 4159.9500 3996.9900 5637.4600 5218.1100 46621.7400 5094.3400 2025.5200 1533.4600 1702.4400 2941.1500 2467.6500 568.3600
PGF2alpha methyl ether 1565.6100 1659.8300 1410.3700 1918.1000 1507.2700 1597.3100 1783.2800 2029.0700 1296.9300 1781.3000 2278.0600 1987.3400
PG(i-12:0/18:2(9Z_11Z)) 442.4200 478.6000 466.7800 503.5000 231.2200 246.1400 378.5100 415.8800 254.1400 104.8900 492.6000 320.6400
Pgp(18:0/22:5(4Z_7Z_10Z_13Z_16Z)) 1791.0300 1960.5500 1860.5500 1488.8900 960.3200 1153.8800 651.2700 484.3900 106.2400 383.2000 355.6900 228.4300
Phe4Cl-Abu-OH 221.0000 1823.7500 861.3400 965.0200 358.8100 131.0600 483.8900 2439.5800 2888.2400 508.8200 1077.5000 6701.3000
Phe4Cl-TyrMe-OH 1738.2000 1234.7300 1275.7900 1047.3000 555.4200 804.2000 752.2000 624.7000 461.5700 1680.1300 452.6000 639.4200
Phe-Asn-Thr-Lys 1.2200 7.0700 1.9600 279.6000 227.1600 233.6400 4.1300 365.0300 5.5500 19.3300 13.7200 426.8000
Phe-Asp-Lys 8589.6400 10193.4200 8658.9800 10110.0000 12517.9800 11678.4000 14915.4500 13454.1800 15483.6900 16196.0000 12589.0900 12555.3400
Phe-Gly 2289.8100 2134.3600 2308.7800 2089.3600 2103.6000 2103.5200 2180.8500 2011.1200 2231.0900 2189.8600 2097.6700 2047.5900
Phe-His Zwitterion 35331.7800 37538.1400 35595.7300 34904.3700 30716.9100 32472.2700 39591.9100 38021.0200 36855.2500 37223.9000 37860.7000 38436.4200
Phe-Ile-His-Arg 2384.4600 1655.7000 1962.1300 2455.6600 2190.0200 1866.0100 839.4000 1036.0800 351.2000 257.0100 1964.0500 781.6900
Phe-Leu-Tyr-Asp 1239.0500 1179.8000 889.9400 3731.1800 8340.0100 2374.1600 1674.1400 1881.6700 3132.8500 1787.4400 1772.2800 892.3300
Phe-Lys-His 0.3000 0.4600 0.0600 0.0200 0.0600 0.2000 1.5000 0.8700 0.2100 0.5100 0.5000 0.2400
Phenethyl rutinoside 48256.2600 43340.6000 53136.9300 51848.4800 49493.6900 58959.2400 53351.0600 48806.8700 45034.8300 51514.1500 62758.1400 59922.3000
Phenol 64475.1800 35741.5300 87990.3400 113095.2100 87149.4000 97698.7900 57978.0800 80126.7200 109931.4600 103364.8800 88941.7400 111396.3600
Phenthoate 17693.4600 7290.0700 5993.7000 1883.6600 10862.0000 14744.5700 14150.3600 16671.7100 13870.8000 9193.6500 14971.2300 15241.5700
Phenylacetone 14913.2200 14322.4600 17876.5600 18110.8700 17547.3100 21943.3900 19472.3600 17158.4800 15434.5300 17639.4600 22757.7700 22042.9200
Phenylacetylglycine 5664.9500 10578.1500 7088.3800 11662.0600 8485.8200 8345.4500 9237.6700 6992.9400 9162.4700 8315.1700 5803.7000 5307.6300
Phe-Phe-Ser 48595.9400 47825.0200 59511.2800 65765.7900 61652.5400 74582.3400 67272.1600 57856.0600 52107.2800 60997.3800 83066.2200 76436.1700
Phe-Thr-Asn-Lys 603.6400 2345.7000 473.9300 323.1200 1525.0900 1642.9100 375.5900 1423.8900 539.1400 451.7900 355.1700 220.8100
Phe-Tyr-Val-Lys 16801.1200 15294.2800 17570.4300 18374.1500 17609.4100 21786.5200 15127.6700 20390.8500 17238.3300 15582.9900 17080.8700 16954.5300
Phlorin 2569.6200 2197.6400 1488.3900 1727.1500 867.1300 1322.2500 121.0300 1100.2000 1029.5700 1020.6900 2031.6700 277.0500
Phlorizin 4009.0300 3420.3600 4183.7100 7669.1200 6558.4700 3805.7000 2963.4900 2097.8500 3489.8600 2713.6100 2332.7100 3059.7100
Phoenicoxanthin 815.2800 2382.8000 1188.8300 791.6700 1350.9800 1305.6800 408.9500 501.5900 210.8000 17.5800 399.6400 787.2500
Phosphonoacetaldehyde 6544.9400 18347.1900 5413.9800 29626.6500 2829.0900 5182.1200 1975.5600 3606.3800 4552.8600 1517.1800 2660.4700 3434.6400
Phosphonoacetate 195976.8800 264587.9600 205941.1600 173566.9100 194896.9300 183735.9600 267547.1900 297821.4600 232405.5300 165291.0800 198307.7700 352509.6600
Phytosphingosine 226170.6800 234874.8600 238441.8900 231067.1100 225601.7100 225888.5000 210092.4700 213148.5300 256697.3100 186237.0100 212221.9800 223344.5500
PI(18:2(9Z_12Z)/20:3(8Z_11Z_14Z)) 3595.5000 5111.1100 3328.9200 1537.4000 1607.6300 641.9100 217.3500 320.8100 162.0500 34.3400 636.2300 1381.2600
Pinolenic Acid ethyl ester 4462.6900 3267.0700 4001.5900 5071.3600 3306.1900 4572.5300 2154.1900 2787.3100 5208.0400 2854.0300 3836.4800 4129.6000
Pinostrobin chalcone 4.6000 1.0000 2.3000 3.8100 53.6400 5.5100 0.4300 1254.3900 1.7800 2.3600 63.0700 4.9100
Pipericine 727.9100 3175.4600 4762.5100 295.9800 2875.4600 1312.8800 3554.3300 4250.2000 2813.9200 3956.3000 6938.9500 5648.5400
Piperidine 2336.0600 1873.3800 3204.8200 4207.5000 4854.0200 2556.5700 760.7500 691.1500 1230.1700 450.5900 1397.0100 1564.2600
Pivalanilide 152621.7300 148254.6700 150756.6100 142199.8800 156584.8900 144207.5000 152137.5700 148470.7000 140766.9000 137832.3000 148272.9000 136633.9500
Poloxamer-188 57427.3300 66986.7600 49921.6800 71170.1200 86975.5000 64229.8700 78434.3700 72944.2300 70455.8400 73441.7400 68263.1500 70942.9600
Polyporusterone A 486.3100 255.7800 399.1900 949.9300 502.9000 1176.4300 157.1100 1903.4900 3336.4500 253.0000 477.9600 3510.8700
Polyvinyl chloride 4143.8000 2869.4500 4351.5300 3735.9700 3951.9200 3863.5800 3692.7600 4127.9600 3945.8200 3885.5000 3513.4000 3789.3600
Ponceau SX 7082.7200 2732.0600 328.5500 2407.6300 2861.1500 4548.9800 2721.7200 3765.1300 2741.7200 1851.3800 3938.4000 94.7300
Pov-pc 3415.5800 3963.2100 3284.1500 1838.9100 2985.9400 2893.0700 3281.6300 3033.9100 3657.3300 3063.5800 1819.4400 1792.4100
p_p^-DDE 25734.2800 24868.7400 24683.4700 24915.5800 25529.3100 24884.5500 26450.4300 27485.8700 25447.1600 27578.2100 25548.3800 25807.7200
Prallethrin 9908.5200 13809.9900 25207.4100 94612.1900 25900.5100 30960.7700 24594.0400 20980.7200 15336.9300 20706.7100 33843.4200 29788.6800
Prenol 1175.5600 1636.5300 1673.8600 1588.7800 1247.6800 1247.0900 1563.5700 1659.8100 879.1700 1666.6100 1339.7200 1728.9400
Prinomide 1319.7800 694.1700 1524.9200 686.0400 1756.7300 2251.3000 2216.5200 1735.1600 2141.5300 2074.2700 2030.8200 2217.2100
Pro-Ala-Glu 1383.3900 1661.6700 2775.3000 1755.0400 2970.4400 3211.9400 3351.4800 3185.2300 3192.5000 3197.4900 2887.2800 3097.4600
Profenofos 72951.8500 99832.8400 108422.6400 109209.5700 32000.5200 60397.8300 34247.8600 42991.0500 61986.2400 40688.4700 58240.8200 35612.2900
Progesterone 33509.9100 27287.7000 30660.6300 30197.8100 30564.5200 25331.5800 32659.2800 33685.5300 31826.1900 26312.8600 35001.9600 30205.0400
Proline betaine 420.8900 1476.8600 826.4800 2814.6500 2671.5600 1336.7900 403.2300 417.4400 782.7400 369.8800 895.7900 1373.0300
Prolylthreonine 2663.8600 1879.2800 2181.4600 1684.9200 2648.8800 2217.4000 2824.5600 2636.6300 2605.7500 2821.2000 3147.8100 3449.8400
Pro-Lys 1335.7100 2009.6000 1433.3900 2832.0400 2374.2400 2920.8900 1041.8900 767.2300 1607.6700 1071.1800 1862.2000 1253.7200
Promegestone 5407.1700 5061.5700 6865.0900 6430.3800 62450.4800 6194.9500 2857.2500 2048.6100 1778.0800 3351.9500 2896.9000 694.4600
Propanoyl phosphate 3469.3800 2133.8700 3076.1700 1101.6400 4130.8600 3625.6900 3959.0400 3828.1400 3592.4100 4152.9600 3589.4100 3894.9500
Prorocentrolide 6573.9000 8097.5900 6161.9700 9189.0200 7103.2800 6243.6500 6683.2000 6027.8100 6492.1900 5005.4800 4865.9300 4983.4400
Prosulfocarb 2286.1000 2247.1000 2854.5100 3224.0800 3017.8100 3459.7300 3360.9000 3143.5800 3441.5200 3141.8200 3414.4200 2124.3200
Protoveratrine B 1180.3600 1446.7500 1371.9200 1824.6500 558.0900 677.4600 389.6900 422.9700 911.2400 101.8300 264.7600 389.4700
Proxan 6162.8500 7293.1500 7840.5300 6337.7600 14501.6700 10004.0800 6324.2500 24770.1600 6857.6200 7943.6500 14130.2800 6450.4100
PS(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/24:1(15Z)) 9316.6000 10013.5500 4946.7200 3766.9300 4010.2700 3430.9700 1186.4000 2739.9900 15505.2500 22338.8100 17513.1500 16773.0200
Psilocin 1161.9400 1623.8000 1006.0700 1407.0800 1342.4600 1132.5900 1576.6700 1787.9200 1313.8700 1000.3600 1221.8500 1227.1500
Purmorphamine 246.1600 255.0700 295.0400 70.7900 1913.0600 174.9600 298.9800 10204.9900 722.7000 76.2400 233.4300 357.4700
Pyrazin-2-carboxylic acid 23953.3200 23315.0900 24522.8900 23031.6900 31394.6500 28036.7900 29581.9800 30115.4200 30274.1500 26977.4500 30920.1700 28639.7700
pyrazole 64943.7400 83595.2900 63310.5800 93351.8000 76316.0700 73486.5600 67014.1100 60698.8500 66524.0000 57784.1600 65807.1800 52752.1500
Pyridaben 26271.5000 26185.8700 30025.2700 28897.3000 26142.0000 25730.3900 34586.3900 33563.0600 31122.7300 33370.9300 33328.0500 32342.5100
Pyridoxal 5^-phosphate(2-) 616.3700 715.9800 1530.4300 460.9900 760.9500 757.5700 599.3300 629.2600 783.1300 668.6200 464.6900 618.4500
Pyridoxamine 11633.1900 16366.2800 15084.7500 14072.8300 9548.0100 11038.9100 4254.4200 5852.2800 6055.1700 3150.3800 10144.2500 9395.7000
Pyroglutamylglutaminyllysine 3236.1300 3809.7100 3241.2100 3722.7900 4054.4500 3966.1300 4144.4700 4329.0100 4950.0400 5086.7400 4172.8800 4240.0500
Pyrohyperforin 2900.9700 1824.8100 2014.0500 2664.3000 1215.3200 1936.2700 2629.1800 3249.0600 2411.7500 1463.8200 2377.0100 2383.9200
Quercetin 3_3^_7-trissulfate 1739.6100 1122.1000 546.3600 1091.4200 322.7100 1453.2900 1711.2000 1481.2600 2287.4100 1953.4500 1747.2100 1970.8000
Quinalphos 1448.1200 1557.4900 1225.2300 1220.9600 1437.1800 1253.2200 1547.8300 1404.9400 1505.6600 1382.3700 1140.8400 1132.5800
Quinoline 19070.7400 29988.7400 22410.3400 38500.1200 29807.5300 26874.9100 29911.5000 24783.4800 27840.7800 25854.9100 19642.3300 16585.4100
Quizalofop 3116.8600 2700.3700 3178.4400 3201.9600 3142.6400 3002.1500 3244.6500 3619.3900 3277.3400 3349.9900 2818.7000 3345.9800
(R)-3_3-dimethylmalic acid 1329.9000 3293.7000 2804.6900 5095.2500 5336.1800 5368.6300 7156.6900 5272.9400 11641.3200 23789.5100 5140.6800 3668.5600
Rebamipide 7476.1800 3381.8000 4420.0600 2387.0000 8243.9400 3361.6200 4237.0200 15422.2800 7403.7400 4582.8700 7820.2900 10605.5600
Rel-zanthodioline 1263.1800 1788.1100 1630.7400 1674.0800 711.7100 755.7700 160.1500 234.6100 960.3000 279.8400 1471.6900 286.5300
Repaglinide 17166.2900 27151.4200 17105.0800 54602.0600 15861.7200 13286.7300 5624.0900 7381.6000 7838.1100 3388.7700 10876.3500 5786.8500
Reticulataxanthin 54.3700 80.3700 34.4900 88.1700 84.9400 73.5600 216.3800 106.4000 116.5800 1.6900 83.7500 127.3100
Rhodovibrin 20621.4800 17919.6200 20101.7800 21207.4700 18790.4800 19942.0500 20617.4900 36399.3300 21882.4600 20853.3700 26238.9400 26352.0800
Rhodoxanthin 32908.8400 29231.8000 29412.0900 28666.2500 14928.2300 24435.1500 26813.9300 27367.4000 29341.8300 18198.4500 31631.0600 39280.6300
Riboflavin 1481.4000 2717.2900 1749.1200 3870.6000 3331.1900 5893.3400 1060.9100 727.5800 4305.5800 971.6700 1381.4600 2272.1700
Rimantadine 87.8100 51.1400 151.4400 82.6700 111.7500 77.7500 149.5300 160.9100 60.2500 152.6600 112.4700 83.6000
Risedronic acid 4837.8000 6064.7700 4760.7100 5898.9600 4642.4000 4500.4100 3618.3200 3698.8000 3486.1400 2532.3800 3583.2400 3189.4000
Ronidazole 3538.6900 3414.7300 3440.4300 3197.8300 3180.7400 3427.5700 3651.8700 3751.5000 4134.9800 3982.4400 4320.3800 4032.6700
Roxarsone 3278.7200 9599.8600 1125.8800 10591.7000 736.0100 4106.2700 1630.4000 2078.7800 2653.5700 196.2600 1711.3000 1921.7400
Rufloxacin 9047.9600 3153.2300 3696.6400 1844.6800 4611.5300 2791.2800 1965.2200 4932.6200 1955.3700 3953.9900 5518.3900 1594.9300
(S)-[2_8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol 4448.8200 4160.7700 3880.6100 4667.0300 3384.2400 3437.2800 3142.6800 3123.5800 2752.9300 2049.0000 3394.7400 3255.8100
(S)-(+)-2-Hydroxy-3-methylbutyric acid 21983.7200 20720.1600 20247.7600 20573.1900 24115.8800 22078.6100 22158.9200 22528.6800 21252.5500 22619.1800 22115.4700 22707.5300
(S)-3-(2-Methylphenoxy)propane-1_2-diol 229.8900 404.3000 319.3800 379.5700 207.3800 128.0300 332.1700 140.1600 216.2300 391.9700 485.9300 325.1900
Safinamide 22.2000 57.7800 85.9600 133.3500 1365.8800 2137.4300 11.3100 38.7800 40.8400 222.5000 84.7500 2104.4400
Salicyluric acid 5842.0200 5943.2600 4979.3800 5361.3400 6339.9400 4779.4700 6483.7100 5063.3800 5467.3900 5359.0700 4513.1200 4973.9500
Sanguinarine 1084.3800 573.9900 610.0800 290.3400 1638.2900 1305.2400 1077.4800 873.9500 613.9400 1023.1100 1184.8900 1093.0100
SB 221284 2903.7300 1734.8300 966.8800 2427.7700 1927.7400 1202.1700 757.1800 921.9300 649.1500 309.4800 775.1200 894.3900
Schisandrin 240463.1800 45172.3400 66495.5900 51565.2100 83112.7000 112831.7400 58222.0400 87792.8900 103995.9200 44234.6200 61637.4600 92475.9400
Sebacic acid 686780.6300 645912.7900 669158.5000 652469.3500 645265.5400 704627.5900 736177.2900 594987.5900 722745.6600 952081.2200 890913.7200 708282.2300
Secoisolariciresinol 893.7600 7551.6800 15493.9000 29059.2000 455.2900 6736.6500 4915.3100 12760.6100 6057.4500 29.6500 1740.8400 28.7800
Selfotel 4327.2900 1811.6700 3790.1000 57187.4000 1620.1800 347.3800 43.9300 355.9100 141.2200 2987.1500 10213.2100 2728.1800
Se-methylselenocysteine 831.3900 292.1700 1601.3200 477.7800 2276.3300 2225.6300 2153.5400 2370.2200 2267.6500 1631.3400 2144.9800 2352.2400
Ser-Asn-Thr-Arg 2180.7400 2336.1700 2588.6800 2491.6700 2619.0700 2615.5700 2710.1800 2428.7000 2794.8700 2592.5400 3130.4700 2851.5200
Ser-Asp-Asn 1445.0700 1317.6800 1541.1100 1385.4000 1150.8300 1551.2900 1243.7600 1614.3500 1005.3400 1183.5100 968.8600 916.2200
Ser-Ile-Asn-Lys 100638.1200 110531.0700 110654.7000 123994.7500 131788.3600 162971.1300 132049.9300 157324.7700 117759.4700 75574.3900 88941.2300 103681.9700
Ser-Ile-Lys-Gly-Lys 17164.2500 18201.5000 14654.4000 19605.6200 11377.0100 12643.8400 10062.8100 11138.4800 13439.5000 8190.9800 14332.6800 15211.1500
Ser-Nap-OH 18786.1800 19943.2000 31803.2900 35761.3500 28357.7600 34125.2800 27544.4000 25215.7000 20313.9300 26317.7400 35525.8900 29334.3900
Ser-Ser-Val-Gln-Glu 316.4400 18.4300 79.6700 4.6500 1781.5400 9.9000 307.6400 178.5900 183.2300 3371.3300 29.4500 6188.0900
Sesamol 2132.2400 3543.1600 4394.7200 4702.8800 401.0600 848.3000 627.6500 531.1900 592.0200 277.6100 895.9800 886.7600
S-Lactoylglutathione 30762.8400 11081.6000 8727.8100 11838.0900 23836.2300 34770.5100 21506.0400 19082.7500 7676.6600 22878.6600 16117.4200 18720.3700
(S)-Mephenytoin 2753.5800 3544.3000 2935.7200 2876.5100 3864.4100 3596.1300 4255.6500 3988.2800 4600.1400 4845.3300 3753.4300 3592.7400
(S)-Methylmalonic acid semialdehyde 804.8700 288.6200 197.9900 622.8500 380.7300 708.1400 1980.2100 1283.7600 1128.3200 367.3100 1431.9100 1609.7200
Smilagenin 1544.7800 704.1300 2969.2400 3369.3600 660.9600 1692.3700 107.5000 1121.7200 66.4000 85.1300 2262.0100 17.8200
(S)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5_6_7_8-tetrahydroquinolin-8-yl)butane-1_4-diamine 2352.7200 4386.1400 2750.1800 3249.2600 2717.3100 380.1200 2710.7900 4867.7200 1817.7000 12.1500 1440.9500 1122.1900
Sodium (2R_3R_4S)-2_3_4_6-tetrahydroxy-5-oxohexyl phosphate 113403.6100 70688.0400 24720.9400 27962.0500 112567.5700 107672.4600 123580.4700 132217.8400 76366.4400 68658.1400 93576.1200 139280.1800
Sorbitan_ monohexadecanoate 3812.0100 2238.6600 1926.8100 2583.1300 1575.1300 1163.9700 2989.7000 5739.8800 2342.2600 1751.9400 3493.7500 3337.5500
Soyasapogenol B 68142.9800 77788.3300 68251.1600 85328.2000 70545.3400 69628.4100 70831.5900 67205.2000 70873.5400 68251.4700 65478.1200 66068.6200
Soyasapogenol B 24-O-b-D-glucoside 4398.2700 3834.5800 5341.0000 7198.8800 5398.5000 5001.0900 5682.2500 4774.1300 3038.8500 3082.9400 7250.2200 7800.5200
Spheroidenone 2990.2300 2780.5100 3225.8600 2452.4200 2974.3800 2779.8000 2949.6900 2751.1900 3381.1700 2675.0600 2874.2300 3309.4600
Sphinganine 3187.3300 2720.4300 3083.1100 2626.3600 2404.7000 1740.6900 2270.7100 2661.4700 2738.0500 2221.5900 2675.4100 2361.5200
Sphingosine 1-phosphate 3417.3800 128058.1000 92.9300 92.3400 30553.7100 9513.5500 22.5300 21707.5900 19859.6700 20571.3100 23132.9800 31843.4900
s-(p-Nitrobenzyl)glutathione 3267.1400 3316.8200 2994.7200 4464.7900 2085.0100 2773.6400 2618.8600 2595.1700 2052.6400 2513.0600 2977.5400 1606.1700
Sporidesmolide 1 6603.8200 8116.1600 13701.1000 12998.7300 111586.4400 12121.1000 2559.4200 1511.5000 2450.8300 3860.1500 3473.6500 1106.3000
Stachyose 21828.5400 11775.1500 11765.5200 7529.9300 34819.1400 25097.8300 186303.2800 39631.4500 20030.9900 69916.4600 31510.6300 114731.4900
Stearic acid 475.2800 529.0400 669.8000 801.6100 1586.4300 562.8500 2004.6800 970.4900 1688.9000 1873.9200 710.6400 446.1300
Stearidonic acid 49501.8300 50392.8900 52416.7300 50874.2900 51595.7000 41222.3100 50214.1700 54826.8000 49483.8300 45676.7400 52060.0900 50256.9100
Stearoylcarnitine 5041.4000 4298.3800 12097.7500 8455.4700 6476.0100 17227.9100 6436.6500 5551.4100 13739.9300 8313.8900 3175.0300 6076.0100
Stigmasta-4_22-dien-3-one 507.2000 323.6400 335.7000 206.0400 201.8300 337.0200 275.4400 451.8300 796.6600 621.9500 400.1500 686.9500
Stigmastane-3_6-dione 21255.2000 1154.8400 17662.3100 12706.2800 4624.1900 4668.2900 14459.4600 142.1800 9929.8800 5651.8600 8733.6800 8686.4400
Styrene 21541.7800 29113.1300 55208.6200 62083.6000 55737.8500 68241.6600 53992.1500 43566.6700 30499.6000 44995.6000 76412.2900 64346.0000
Sucrose 26031.0400 17917.3400 23015.3300 17892.3700 57199.8700 35127.2300 32319.7100 23616.7200 14004.7500 26084.7700 30399.2900 23342.0900
Sulfanilamide 69652.8600 31156.9500 25233.5100 37369.4500 52487.7000 69236.7800 25652.2100 43438.4300 39975.7100 37257.1300 40043.1700 19773.0500
Sulfite 5063.6200 3369.4500 4307.4200 3370.1600 6173.3100 4848.5800 4970.6300 5295.0300 4511.1000 4698.4900 4460.7100 4878.8400
(S)-Ureidoglycolic acid 3691.4800 3794.6500 3818.5600 4019.9000 2691.0900 3358.9600 2391.8500 2069.8100 3323.8500 2353.2700 2570.4000 2126.4300
Tacalcitol 1321.0800 3019.5800 2636.4100 2311.6400 2148.8200 521.2100 2451.3900 2906.4400 689.9600 1178.7800 4924.9300 2755.6300
Taurolithocholic acid 2262.7400 2110.8700 3202.4200 3426.0700 1659.7000 2219.2100 397.5000 770.9000 1143.9600 394.3600 990.4000 206.1600
Tebuconazole 321.9400 6999.9900 3242.0000 1220.5000 7541.1300 1044.5100 486.7500 2866.9500 926.8500 3552.1300 811.5100 255.2700
Tebutam 6950.6800 6290.4800 6424.8300 6026.0900 6641.9800 5679.7400 6812.5400 5750.0700 6826.8100 6540.0100 6889.8500 6188.3100
Tenovin-6 9551.9100 9789.2800 9983.4300 9619.4800 10443.3700 10263.4500 11493.4100 9970.2100 12264.9500 12572.2200 13445.9500 12738.7100
Tert-butyl 3-(iodomethyl)azetidine-1-carboxylate 8293.0700 9756.3300 7228.3800 10843.2000 8566.5300 8735.6500 7926.1900 7182.8600 7563.0400 6969.3100 7716.9600 6639.6700
tert-Butylamine 10117.1400 10902.0400 10086.0900 10072.2400 10173.3900 10603.3000 10510.6800 11570.9900 11699.4300 10498.4500 11084.2800 12377.3700
Tetradecanal 17223.0900 20880.1800 19324.5700 18298.2900 16338.3900 18769.0800 16397.4600 14440.7700 18558.7600 22440.0500 21012.7800 20475.9800
Tetradecanol 1208.2100 1521.7200 1540.6900 1635.5100 1565.3700 1376.1400 1349.1800 890.6300 1528.4800 1170.3500 1494.1400 1403.2900
Tetraethyl pyrophosphate 415.5200 1139.1400 750.7800 1457.1000 1640.5200 1367.5300 2394.8100 1360.6500 3611.2200 5832.0100 926.9300 1135.2700
tetrahydrozoline 498870.0400 964919.1600 641118.3500 666089.7400 635469.4000 487255.2000 605159.2800 523072.7600 503802.7900 1200519.5200 579055.2100 652844.5400
TG(16:0/16:0/18:2(9Z_12Z)) 1018.2500 15458.2800 1786.8000 980.0900 1401.1400 4638.6100 3727.4200 5011.8500 4109.1700 6168.5100 5985.4900 5762.1700
TG(16:0/16:0/20:5(5Z_8Z_11Z_14Z_17Z)) 484.6200 552.7200 445.8900 214.6600 70.9100 416.3700 786.7700 428.4400 735.1800 1216.4100 1728.8500 1206.0300
Thiazolidine-4-carboxylic acid 21342.9500 18869.2800 31176.7600 16975.6600 31979.6200 37740.0600 40024.9100 36735.5400 33316.9700 37043.8000 38854.6000 39200.5200
Thidiazuron 24051.8900 37136.6000 37147.2100 43440.2000 9641.0200 15623.3200 9239.4500 15274.6200 18333.9200 12165.2800 21826.3100 6462.2900
Thiirane 402504.1500 435587.3300 450052.2100 468118.8000 247966.7000 333619.8300 255717.4000 286671.1200 321540.2300 268563.7200 323983.8200 272664.2500
Thioctic acid 15074.4100 13850.5300 15173.6200 14276.5000 14047.9700 16492.7300 20147.7800 19902.2300 22229.6200 23016.3400 23908.2300 25281.2500
Thioetheramide PC 12504.5400 16.0100 15.6000 146972.5300 6.6700 9333.2200 34.5100 12.5800 10858.8500 8454.0900 62.5400 14099.6900
Thionicotinamide 16128.6300 23248.9200 27717.3800 28054.7200 8655.6800 11467.2700 8089.1800 9962.1400 12483.4800 10509.0500 10739.6900 9500.6800
Thioridazine 2022.7700 3086.4800 3578.5300 2030.6500 887.1600 2723.2200 5046.3900 3653.0700 1939.6900 2286.4300 3449.0900 6652.3900
Thiosulfate 73685.3200 76519.4000 178470.9600 187013.9400 107586.3700 50550.2700 61198.1700 53156.9300 182908.3100 38797.5300 85030.1600 107694.2500
Thiothece-474 8179.5000 6294.5200 6980.9500 16300.0600 6983.9700 7365.8300 6692.3100 11535.3800 12610.4600 5102.1200 14847.3700 7937.1600
Thiourea 10245.1600 8390.2600 8394.5300 10394.0600 6643.0100 8388.0400 7902.3800 6846.8000 6756.5000 7068.6500 7180.6300 7951.2500
Thiram 320239.4600 498803.7700 547745.2900 545415.0900 162931.7100 263205.2000 166151.6400 208771.6300 275895.4000 143203.3000 276901.1500 229576.6100
Thr-Leu-Lys 2337.9100 2336.7300 2496.8100 4471.7000 3219.5100 1830.2500 2642.2600 2269.9600 1885.1500 2534.6300 3802.8700 3409.2200
Thr-Pro-Pro-Val-Gln 908.2500 2152.3800 2536.2700 3114.2600 2856.4900 2415.0900 2547.9200 2363.2700 2256.8300 2474.1800 2946.7100 2641.1300
Thr-Trp-Met 69617.0700 47331.7900 69871.3500 59409.6600 81530.8000 111623.3500 65566.2000 91895.0500 102246.8800 46443.5600 70757.7500 98813.4600
Ticlopidine 5828.2500 8816.7700 8259.4300 14000.2500 14227.4100 14386.1100 19412.2900 15697.0600 30055.4700 56129.9800 14548.2300 10016.2300
Torachrysone 8-O-Glucoside 550.3100 162.0800 260.3500 10759.3200 191.1400 30.3600 6.5700 59.6600 8.3000 459.3000 1780.0200 201.7300
trans-Anol 711.9800 667.4600 739.2800 688.1800 803.1400 946.2000 766.4600 795.8300 741.5900 771.8700 691.0900 806.2200
trans-Coumaryl acetate 11915.5400 10511.1300 10091.0600 11380.4600 9806.1500 11578.4900 11122.9600 11791.0200 12388.7700 10539.2500 11673.8400 12429.2800
trans-p-Menthane-1_8-diol 49915.1800 61863.9000 50886.1300 62326.9800 51721.3000 51355.4100 52212.8700 49535.4900 53187.8200 49363.2900 50251.6500 47061.8000
Treosulphan 2353.4100 3617.4200 3660.9900 3677.8900 3655.4800 4097.9400 3000.1500 3940.4400 3095.8800 2436.0400 3731.7100 3640.1800
Triacetin 5322.0800 5987.2400 6262.7500 6837.7800 7038.1300 7498.8300 8676.7100 9386.3900 9885.5700 10753.9200 11758.2500 12532.4400
Tribenuron-methyl 5183.6500 5475.8700 5093.0900 5233.7600 5949.7100 5185.4500 5570.5200 5117.6900 5549.4100 3862.6100 5845.6200 4958.2700
Tricosane 699.0000 105.1500 43.1600 259.4300 213.4000 264.3900 970.8400 1611.3700 541.0400 390.9600 1121.7100 1132.7500
Triethylene glycol monomethyl ether 4178.6100 5472.8600 4882.7500 4556.5900 4531.2200 4907.3800 5142.0400 4230.6800 5643.1600 5666.5000 5679.4700 5941.0400
Triethylenetetramine 370203.6700 343819.1300 334113.5400 326943.7900 564349.9400 326056.4500 330639.3500 324983.7100 951694.8300 323963.9500 304841.0200 339706.8800
Trifluoperazine 7072.7700 8079.3200 8588.3500 8316.0600 6204.7500 6707.4100 5520.0800 6510.4700 6473.8700 4607.2300 7007.4500 6678.5900
Trilinolein 2757.5100 2714.1100 2169.2900 2288.6300 2266.6000 1847.5700 2568.7200 2578.2200 2520.5000 2198.0200 2395.2300 2145.0500
Trimethylamine N-oxide 9707.1400 5319.7900 3860.3100 3084.7700 26420.6600 17549.7900 16416.0000 15781.0300 15200.5600 18859.1800 12028.9200 11532.1000
TRIPHENYL PHOSPHATE 5344.5100 5518.1700 4596.0500 5739.7600 5300.5900 5361.8200 5641.8500 6308.1500 5308.9000 5292.9600 5133.1700 5798.2900
Troglitazone 1122.8900 1290.3600 1042.2400 624.3400 225.6200 1033.3400 572.1500 700.1600 1085.1000 614.1200 336.1300 588.1200
Trp-Ala-Arg 82865.4800 98240.4700 124822.4400 151258.6700 133376.1500 134204.6500 123163.2100 121009.1600 97656.8500 75435.4100 99333.9400 107071.3700
Trp-Ala-Tyr 24381.4200 18157.2200 27207.9900 28697.3900 23024.4000 30926.3500 27047.2500 24699.4400 22900.7500 25712.5300 31692.9900 30207.7900
Trp-Gln-Leu 4354.9300 1635.3500 4388.6500 4620.5400 4109.0300 4634.0500 386.2700 2552.8800 3124.3800 3393.1200 5961.9300 4880.9900
Trp-His-Tyr 555.7600 424.9800 84.9700 975.8600 2280.4600 109.7100 35.9700 43.3400 8.5400 40.7300 9.8500 9.8000
Trp-Met-Glu 1732.8800 1419.9600 1594.9900 2134.8700 2231.2400 1731.6800 2008.1600 549.1200 1829.4000 1489.5000 1842.2500 1620.7700
Trp-Tyr-His 2626.0800 2493.2200 1061.6300 3539.0400 4398.0100 1393.4500 716.6000 437.8700 308.3900 478.1500 364.1900 273.0700
Trp-Val-Arg 5035.2400 4071.4300 5145.5400 5093.8600 7071.5100 9511.0400 5225.3800 7444.0100 8166.0000 3610.9500 5166.5800 12448.2800
Tuberostemonine 767.5500 122.2700 568.8500 133.6100 2300.1400 2236.7500 13623.9600 25.2900 12.7900 4023.1800 144.2800 10987.0200
Tumonoic acid A 2839.5100 2148.7300 2817.2800 2925.9300 2646.0200 3247.0600 2448.3700 3291.2700 2364.2700 2707.2600 2878.3500 2361.9000
Turanose 279858.8600 262195.9700 193588.6200 253508.4900 242953.8800 221542.1000 189039.3800 283576.1600 183120.2500 116157.2400 299390.3800 140642.8100
Tyr-Glu-Arg-Arg 693.5600 471.4500 679.0400 956.2600 596.8700 834.8500 2208.0800 1213.1200 1857.5200 4184.4000 1463.7900 896.6400
Tyr-His-Ile-Glu 7258.2800 7106.6200 6447.8600 7058.4000 6074.8000 5841.2400 6959.7100 6508.1900 6855.5100 6521.1200 5997.1500 6153.1200
TyrMe-Lys-OH 1989.6700 2081.7300 2087.1600 2251.8300 1773.5600 1975.5100 2406.1500 2281.7200 2132.9400 2620.7600 2473.1200 2132.4500
Tyr-Phe-Thr-Lys 16182.0400 11554.0900 13633.2900 13236.4900 10113.3500 17654.8600 12139.4800 17578.3800 5202.6400 9.0900 11483.5900 14306.9300
Tyr-Pro-Glu 2424.9000 2554.6000 2643.1800 2853.7300 2982.5900 2277.7800 2842.1600 2845.2700 2944.3000 2436.4600 2912.8700 2413.2100
Tyr-Pro-Trp 2479.0300 1154.6000 1548.0200 165.3600 9375.1500 5029.7100 4650.4600 4977.2300 3918.5400 4153.1700 2814.3400 3896.1800
Tyr-Ser-Arg 4259.5500 5168.0800 4773.9500 5420.3600 3627.2100 4038.0100 6865.6200 6368.3900 7052.6600 6317.2400 5973.6300 6663.4700
Tyr-Trp-Cys 4169.0700 4484.3800 4039.6900 5231.1000 4620.0600 5314.0600 4731.3500 5088.0200 5124.5100 3882.2500 4800.4000 4797.9800
Ulifloxacin 2266.7400 2395.5700 1334.1300 350.1800 6655.8700 2620.5900 2556.9100 3614.3000 2077.2200 1020.8700 2850.7300 1776.5300
Umbelliferone 4157.4900 6339.3800 8424.6000 8096.3700 1406.1700 1910.4400 1760.9900 3775.3200 2222.0200 1252.6600 2450.5800 1551.7700
Uric acid 12621.5900 11463.0500 12278.2000 12047.7500 11196.2000 12003.2700 12684.6000 12693.4000 12377.8700 12799.2700 12907.6600 12891.9900
Uridine-5^-diphosphate 39621.2300 13341.6500 1689.1000 36760.0500 60789.1300 42630.5500 67312.3000 71703.5600 24357.1600 18093.0700 35370.5400 92014.7700
Val-Arg-Ala-Glu 5079.2600 4755.4900 5309.2900 6500.6600 3685.5400 6701.3700 5188.6000 4680.5400 4825.9200 4996.5600 6576.5300 3173.4100
Val-Ile-Leu-Asp 1891.5600 1573.6300 1851.3700 1673.8400 2581.6900 1345.6000 1943.3800 1300.5900 1542.0900 1304.8900 1517.7700 2042.1500
Val-Leu-Leu-Val-Val 2826.3100 1903.0300 2480.7200 2373.7800 1542.2700 2192.2500 1400.6600 1408.5000 1767.0000 1156.4000 1948.5800 2101.2300
Val-Pro-Glu-Pro-Lys 5689.8900 3992.8800 4523.3100 4562.3000 4866.5400 4865.0900 4815.8300 4456.6300 6390.1100 4659.7500 5342.3400 4903.1600
Valproic acid 1869.6500 2646.8600 2769.5900 2584.4800 2499.0400 3549.0300 2453.6800 2819.0400 2713.9800 2432.1100 2934.3600 3021.1800
Val-Tyr-Gln-His-Val 5571.3800 8016.4600 6553.1800 8336.1500 2393.5000 7440.6900 8315.7700 6664.2600 12335.8000 6079.4500 16668.5300 12865.6000
Val-Tyr-Gln-Lys 25362.7500 16017.8500 10942.7700 14478.7000 13476.7100 14560.4600 9020.5800 11320.9600 9728.1300 7935.0800 9550.2400 9780.1200
Verimol B 3.2600 99.4300 133.0500 1202.0100 21.9600 81.2100 99.5200 8923.6800 67.6500 14.2800 177.5000 0.6500
Vinclozolin M2 67299.7400 81552.3600 83215.8000 92272.7100 45072.1900 59589.3600 58667.8600 50028.2400 46306.5800 55890.5500 64506.2900 42424.1300
Vitamin K 8841.7500 3434.5100 6872.3500 5597.3900 4317.4000 6289.8300 4745.4700 7899.9300 4753.4700 5201.4700 5950.6100 8171.3900
Vorinostat 20855.7100 24715.0700 26093.6300 25713.1700 16222.0600 20083.3300 14949.9400 17147.4000 18990.7200 12124.0100 18102.8500 20092.2000
Xanthine 53063.4700 47708.5900 50565.2900 49057.8200 72870.8900 59613.3100 66265.3600 68857.2100 65351.8300 57072.7000 69153.5100 61865.1900
Zerumbone 4122.2600 4613.1600 4393.6700 4429.6200 8874.2400 5551.4700 5492.3000 5390.0800 4059.7000 4800.0200 4536.4400 4147.8200
(Z)-hexadec-2-enoic acid 10723.5400 11003.1300 10870.9400 10649.5800 9537.1100 10278.6000 8048.1700 7081.4000 9851.0000 8894.9200 11503.3300 8945.6500
Zoledronic acid 31095.9300 32132.1200 29037.1900 35762.4900 29414.6500 30647.6200 31554.2800 32593.6300 29647.3400 27136.3500 35896.7500 36750.9500
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
10,11-Dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 5320146 ko00330,ko01100 9.0183
10E,12Z-Octadecadienoic acid 5282800 ko00904,ko01110 9.9548
1-[1-[1-[1-[1-[1-[1-[1-(1-Butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol 20485683 -- 10.6753
1,1,1-Trichloroethane 6278 ko04964,ko04966,ko04970,ko04971,ko04972,ko04976 1.2269
1-(11Z,14Z-eicosadienoyl)-glycero-3-phosphate 52929760 -- 4.3469
1-18:1-lysoPE 58177709 -- 8.957
1,1-dioxo-N-prop-2-enylthiolan-3-amine 315892 -- 3.9505
11-Keto-beta-boswellic acid 9847548 -- 9.0183
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 42607430 -- 12.4225
1-(1Z-Octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 42607458 -- 10.1168
12,13-epoxy-9-alkoxy-10E-octadecenoate 7973 ko00740 1.0522
1,2-Dioleoyl-sn-Glycero-3-Phosphocholine 10350317 -- 8.2796
1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine 24778764 -- 9.1256
1,2-Diphenylhydrazine 31222 -- 8.449
1,2-Distearoyl-sn-glycero-3-phosphocholine 94190 -- 8.2796
12-Ethyl-71,71-dihydroxy-8-isobutylbacteriochlorophyllide c 126961182 -- 10.2394
12-Hydroxydodecanoic acid 79034 -- 7.3435
1,3-Benzothiazole-2-sulfonamide 67944 -- 1.2339
13'-Carboxy-alpha-tocopherol 53481461 -- 12.3991
1,3-dimethoxy-5-methyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]benzene 40469923 -- 11.8234
13-Docosenamide 5365371 -- 10.9753
1,3-Propanediol 10442 -- 1.505
1,3-Thiazole-2-Sulfonamide 21956330 -- 12.4911
1-(4-Chlorophenyl)-3-naphthalen-1-ylurea 295009 -- 8.2967
1-(4-Hydroxy-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide 5460092 ko00100,ko01100,ko01110 0.6547
1-(5-(2,3-Dichlorophenylthio)-4-nitrothiophen-2-yl)ethanone 2819993 -- 0.5848
15-cis-4,4'-Diapophytoene 14019219 -- 9.4798
1,5-Diaminobromo-4,8-dihydroxyanthraquinone 33774 -- 12.4528
15d-Prostaglandin A1 16061103 -- 8.8344
1-[5-Ethyl-2-hydroxy-4-[[6-methyl-6-(1H-tetrazol-5-YL)heptyl]oxy]phenyl]ethanone 122023 -- 9.5399
16,16-dimethyl-PGE1 5283058 -- 9.2482
1,6-Dimethyl-4-isopropyltetralin 10224 -- 6.8643
16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontahexaenoic acid 52921817 -- 11.3044
18-Nor-4(19),8,11,13-abietatetraene 5320205 -- 6.7495
19-Noretiocholanolone 14009228 -- 10.7059
1-(9Z-heptadecenoyl)-sn-glycero-3-phosphoethanolamine 42607464 -- 8.3246
1-(9Z-nonadecenoyl)-glycero-3-phosphoethanolamine 52925138 -- 9.2482
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 16081932 -- 9.0183
1-(9Z-tetradecenoyl)-sn-glycero-3-phosphocholine 24779456 -- 8.3096
1-Aminocyclopropanecarboxylic acid 535 -- 12.4452
1-Benzyl-2-phenyl-1H-benzoimidazole 1221687 -- 4.9844
1-Benzyl-3-cetyl-2-methylimidazolium iodide 10436839 -- 7.5775
1-(Benzyloxy)-3-(3-fluorophenyl)benzene 70699636 ko00770 7.6542
1-beta-D-Galactosylsphingosine 91746255 -- 9.2482
1-Deoxyvaleric-acid ko00564,ko00590,ko00591,ko00592,ko01100,ko01110,ko04723,ko05231 8.9723
1-Heneicosanoyl-2-heptadecanoyl-glycero-3-phosphate 52929274 -- 12.4604
1-Heptadecanoyl-sn-glycero-3-phosphocholine 24779463 -- 9.2789
1-Heptanol 8129 -- 12.4869
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine 24778735 -- 12.0357
1-Hexylamine 8102 -- 12.4301
1-hydroxy-5-[[(9S)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl]oxy]-3-methoxy-10-methylacridin-9-one 101712521 -- 5.1062
1-Meadoyl-3-meadoyl-sn-glycerol 131766702 -- 12.0357
1-Methylhistamine 3614 -- 3.627
1-Methylnicotinamide 457 -- 4.1432
1-Myristoleoyl-2-(1-enyl-palmitoyl)-sn-glycero-3-phosphocholine 53478639 -- 10.0238
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine 9546742 -- 12.4452
1-octadecyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine 6443065 -- 12.3991
1-Octadecyl Lysophosphatidic Acid 12051354 -- 9.6466
1-O-Hexadecyl-2-O-ethyl-SN-glycero-3-phosphorylcholine 24779410 -- 9.2022
1-O-Hexadecyl-sn-glycero-3-phosphocholine 162126 -- 9.0336
1-Oleoyl-2-acetyl-sn-glycerol 6437055 -- 9.6466
1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine 24778931 -- 10.1474
1-Oleoylglycerone 3-phosphate 5280612 -- 11.0537
1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine 6918215 ko00996,ko01063,ko07042 11.8234
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine 5497103 -- 8.2796
1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine 195048 -- 9.0952
1-Palmitoyl-3-osbondoyl-sn-glycerol 131801751 ko00564,ko05231 11.0793
1-Pentadecanoyl-2-tetradecanoyl-glycero-3-phosphoethanolamine 4369584 -- 0.5325
1-Pentadecanoyl-glycero-3-phosphoethanolamine 52925150 -- 7.8201
1-Phenyl-1-propanone 7148 -- 3.9505
1-Phthalazinamine, N-(3-chlorophenyl)-4-phenyl- 1348 -- 10.7519
1-Piperidinecarboxaldehyde 17429 -- 12.7057
[(1R,2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-3,8-diacetyloxy-8a-(acetyloxymethyl)-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-acetyloxy-2-methylbutanoate 45360082 -- 0.5395
(1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene 11954046 5.5348
(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol 110677 -- 12.5217
[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 102444973 -- 11.8834
(1S)-Deltamethrin 13013603 -- 0.5912
1-Stearoyl-2-arachidonoylglycerol 14345637 -- 12.0203
1-Stearoyl-2-Arachidonoyl PC-d8 71684675 ko00440,ko00998,ko01100,ko01110,ko01120 8.2781
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine 16219824 -- 10.7212
1-Stearoyl-2-arachidonyl-sn-glycero-3-phosphocholine ko00998,ko01100,ko01110 8.2796
1-Stearoyl-2-docosahexaenoyl-sn-glycerol 9543881 -- 11.0715
1-Stearoyl-2-palmitoyl-sn-glycerol 3246945 -- 11.083
1-Stearoyl-2-vaccenoyl-sn-glycero-3-phosphocholine 24778815 -- 10.3817
2-(1H-indol-3-yl)-2-oxoacetaldehyde 13284402 -- 3.9658
2-[2-[(2E,3aS,4S,5R,6aS)-Hexahydro-5-hydroxy-4-[(3S,4S)-3-hydroxy-4-methyl-1,6-nonadiyn-1-yl]-2(1H)-pentalenylidene]ethoxy]acetic Acid 91746213 -- 11.0213
2,2':5',2''-Terthiophene 65067 -- 1.4729
2-[(2-Amino-3-hydroxypropanoyl)amino]-3-sulfanylpropanoic acid 18218239 -- 13.1521
2,2-Dimethylpentanoic acid 14455 -- 3.0291
2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid 20393 -- 9.5713
2-[(2'-Methylthio)heptyl]maleate 123131590 ko00365,ko01100,ko01120 5.1062
2-(2-nitrophenyl)-2,3-dihydro-1H-perimidine 256654 ko00522,ko01100,ko01110 12.4609
2,3',4,5'-Tetramethoxystilbene 5354004 -- 8.5695
2,3,7,8-Tetrachlorodibenzofuran 39929 -- 13.1291
2-(3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-5-hydroxy-6-methylhept-6-enoic acid 73798969 -- 11.5802
2-((3-Aminopropyl)amino)ethanethiol 104807 ko00760,ko01100,ko04976 2.2677
2,3-Butanediol 262 -- 0.4888
2,3-Diaminopropionic acid 364 -- 6.9499
2,3-Dihydrobenzofuran 10329 -- 1.7569
2',3'-Dihydro-phytomenadione 152059 -- 9.1869
2,3-Dihydroxy-4-methoxybenzoic acid 77534 ko00380,ko01100 6.6085
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile 3003768 -- 12.4911
2-[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile 716375 -- 0.7459
2,4-Diaminobutyric acid 470 ko00999,ko01061,ko01110 4.3623
2-(4-Fluorophenyl)acetohydrazide 3771612 -- 8.2946
24-Methylcycloart-23-en-3beta-yl acetate 131751890 -- 10.7519
2,4-Pentanedione 31261 -- 6.9499
2-[(4s)-6-(4-Chlorophenyl)-8-Methoxy-1-Methyl-4h-[1,2,4]triazolo[4,3-A][1,4]benzodiazepin-4-Yl]-N-Ethylacetamide 46943432 -- 5.7035
25B-NBOMe 9977044 -- 8.2796
(25R)-3beta,4beta-dihydroxycholest-5-en-26-oate(1-) 91825747 4.3469
2,6-Cyclolycopene-1,5-diol 9894294 ko01052 9.8341
2,6-Diaminooimelic Acid -- 5.1062
2,6-Dichloro-3-phenylpyridine 817414 -- 0.5304
2,6-Dichloro-4-fluorobenzaldehyde 53440603 -- 0.7924
2,6-Dichlorobenzamide 16183 -- 0.5325
2,6-Dichlorobenzonitrile 3031 -- 12.8598
[2,6-Dihydroxy-4-({[5-hydroxy-2-(hydroxymethyl)-4,6-bis(3,4,5-trihydroxybenzoyloxy)oxan-3-yl]oxy}carbonyl)phenyl]oxidanesulfonic acid 131837082 -- 0.5925
{2,6-dimethoxy-4-[3-oxo-3-(2,4,6-trihydroxyphenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid 131831469 -- 0.5179
2,8-Dichloro-3-dibenzofuranol 11954130 ko00061,ko00073,ko01040,ko01060,ko04212 0.7991
{2-[(9E)-hexadec-9-enoyloxy]ethyl}trimethylazanium 22155839 -- 10.3544
2-(Acetamidomethylidene)succinic acid 5280408 ko00940,ko01061,ko01100,ko01110 9.5713
2-Acetylfuran 14505 ko00630,ko01100 1.0823
2-Amino-1-phenylethanol 1000 -- 1.7569
2-Amino-4,6-dichloropyrimidine-5-carbaldehyde 265546 -- 13.1291
2-Amino-5,6-dihydro-4H-1,3-thiazine 189081 ko04931 12.8203
2-Amino-5-bromo-2'-chlorobenzophenone 162923 -- 12.4604
2-Amino-5-methyl-4-phenylthiazole 96129 -- 4.2397
2-Aminoacetophenone 11952 -- 5.5808
2-Aminobenzenesulfonamide 72894 -- 2.3965
2-Aminoethyl dihydrogen phosphate 1015 -- 0.5042
2-azaniumyl-5-[[1-(carboxylatomethylamino)-3-[(Z)-N-hydroxy-C-(4-methylsulfanylbutyl)carbonimidoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoate 46173237 -- 0.6547
2-azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate 46891779 -- 10.5528
2-Bromo-5-fluorophenylacetic acid 2773927 -- 0.8057
2-Butoxyethanol 8133 -- 9.2329
2-Chloro-1-(2-hydroxy-3,4-dimethoxyphenyl)ethanone 344485 -- 5.4738
2-Chlorobenzoic acid 8374 -- 4.301
2-Chlorobenzophenone 78838 -- 0.7924
2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine 46224516 -- 11.8834
2-Decenal 5283345 -- 4.5867
2'-Deoxyadenosine-5'-monophosphate 12599 -- 4.9844
2'-Deoxyguanosine-5'-diphosphate 135398595 -- 13.1444
2'-Deoxymugineic acid 189811 -- 0.516
2-Dodecenal 5283361 -- 8.3549
2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-diol 15927131 -- 8.2796
2-Furancarboxaldehyde 7362 -- 0.6547
2-Hexadecenal 5280541 ko00621 11.0756
2-Hexaprenyl-6-hydroxyphenol 5280824 -- 12.3261
2-Hydroxy-2-methylbutyric acid 95433 -- 0.5179
[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate 11988421 -- 8.3398
2'-Hydroxy-4,4',6'-trimethoxychalcone 5355469 -- 8.0807
2-Hydroxy-6-pentadecylbenzoic acid 167551 -- 10.0708
2-Hydroxybutyric acid 11266 ko00941,ko01110 9.5713
2-Isopropoxy-5-trifluoromethyl-phenylamine 2894792 -- 5.5808
2-Mercapto-5-trifluoromethoxybenzothiazole 19384269 -- 1.0953
2-Methoxy-3,5-dimethylpyrimidine 6429218 -- 2.9984
2-Methoxy-4-[2-propenyl]phenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside 10390778 -- 8.0348
2-Methoxy-6-all-trans-nonaprenylhydroquinone 50986247 -- 0.5315
2-Methyl-3-furanthiol 34286 -- 1.0522
2-Methylarachidonoyl-(2'-fluoroethyl)amide 5283437 -- 10.1398
2-Methylpropyl hexanoate 7775 -- 6.0003
2-[N-Cyclohexylamino]ethane sulfonic acid 66898 -- 13.0481
2-Octanamidoacetic acid 84290 -- 6.9803
2-Phenylacetamide 7680 -- 3.9658
2-Phenylaminoadenosine 6917803 -- 8.6351
2-Phenylphenol 7017 -- 5.5962
2-Phenylpropylamine 11398 ko00999,ko01061,ko01100,ko01110 2.5361
2-Phospho-D-Glyceric Acid 439278 ko00311,ko01100,ko01110,ko07012 1.0372
2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide 638877 ko00364,ko01120,ko01220 4.3469
2-Propanoylthiazole 65288 -- 1.2192
2-Propenoic acid, 3-phenyl-, phenylmethyl ester 7652 ko05207 6.3262
2-Pyrimidin-2-yl-propionic acid 17937042 -- 8.2796
2-[(Pyrrolidinium-2-ylcarbonyl)amino]propanoate 44369241 -- 2.9927
(2R)-2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol;dihydrochloride 9808654 -- 10.4775
(2r)-3-(Hexadecyloxy)-2-methoxypropyl 2-(trimethylammonio)ethyl phosphate 127599 -- 9.2789
[(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-bis(azaniumyl)-3-[(2S,3R,4R,5S,6R)-3-azaniumyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxy-5-methyloxan-4-yl]-methylazanium 90658868 -- 11.8834
(2R,3R)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-2-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate 135625500 7.3629
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate 6830 -- 0.5179
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxyoxane-3,4,5-triol 10255702 7.6522
(2R,3S,5S,8R,9S,10S,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol 23724594 6.0608
(2S)-2-amino-3-[[3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid 5282292 12.4301
(2S)-2-ammonio-5-{[(2R)-1-[(carboxylatomethyl)amino]-1-oxo-3-(selanylsulfanyl)propan-2-yl]amino}-5-oxopentanoate 70680284 0.5325
[(2S,3R,4R,6R)-3-hydroxy-2-methyl-6-(12-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)oxan-4-yl]azanium 45479544 -- 0.6701
(2S,3R)-5-hydroxy-3-[(2S,3R)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one 14633230 -- 0.6851
(2S,4S)-1-Acetoxy-16-heptadecene-2,4-diol 25107527 10.0861
2-Thiophenethiol 522674 -- 12.5064
2-Thiouracil 1269845 -- 5.4586
2-Undecanone 8163 -- 9.6466
2-Undecylsulfonylacetic acid 53238394 -- 0.5925
3-(11,12-Dihydroxy-15,19-dotriacontadienyl)-5-methyl-2(5H)-furanone, 9CI 131750907 -- 11.5921
3,3',4,4'-Tetrachlorobiphenyl 36187 ko00130,ko01100,ko01110,ko01240 0.4803
3-[3-[(4-Fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid 5036 -- 3.9505
3,3-Difluoroandrostane-17-ol acetate 243754 -- 7.8968
3-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}propanoic acid 198292 ko00362,ko00400,ko00623,ko00624,ko01120,ko01220 1.4701
3,4-Bis[(3-hydroxyphenyl)methyl]oxolan-2-one 123917 ko00600,ko01100,ko04071 9.5863
3,4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoic acid 22025663 -- 0.5179
3,4-Dihydrocoumarin 660 -- 1.7569
3,4-Dimethyl-5-pentyl-2-furantridecanoic acid 71443942 -- 7.3435
3,4-Diphenyl-7-hydroxycoumarin 5393175 ko00010,ko00030,ko00260,ko00561,ko00630,ko00680,ko01060,ko01061,ko01062,ko01063,ko01100,ko01110,ko01120,ko01200,ko01230,ko04922,ko05230 8.3096
3-[(4-Hydroxy-3,5-dimethoxyphenyl)methyl]-4-[[4-[4-[[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl]-2-methoxyphenyl]-3-methoxyphenyl]methyl]oxolan-2-one 46173975 -- 2.4118
3-(4-Methylpent-3-enyl)thiophene 566107 -- 4.1586
3,5,5-Trimethyl-2-cyclohexen-1-one 6544 -- 5.7495
3,5-Dinitrobenzamide 4511 -- 1.0823
3,6,9,12,15,18,21-Heptaoxatricosane-21,23-diol 78798 ko00564,ko04024,ko04080,ko04721,ko04725,ko04742,ko04810,ko04911,ko04970,ko04971,ko04972,ko04976,ko05022,ko05033 3.0748
3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol 15298697 -- 8.2796
(3a,5b,7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid 21252299 -- 7.2592
3-Acetyl-11-keto-beta-boswellic acid 11168203 -- 9.049
3alpha-3-Hydroxytirucalla-7,24-dien-21-oic acid 15559097 -- 11.5755
3-Amino-2,3-dihydrobenzoic acid 3445 -- 7.8355
3-Amino-2-naphthoic acid 22244 -- 2.3004
3-Amino-3-oxopropanoic acid 75367 -- 0.7754
3-Amino-5-(3-thiophenyl)-2-thiophenecarboxamide 2807869 -- 3.3343
3beta-Hydroxy lanostane-7,11-dione acetate 242326 -- 9.5098
3-Bromo-7-nitroindazole 1649 ko00260,ko01100 0.7459
3-Chloro-1H-pyrazol-4-amine 114020 -- 13.417
3-Chloroaniline 7932 -- 5.4586
3-Decaprenyl-4,5-dihydroxybenzoic acid 25010746 -- 9.7076
3-Dehydrosphinganine 439853 -- 5.955
3'-Fucosyllactose 161460 -- 0.6547
3-Hexanol 12178 -- 12.7823
3-Hexaprenyl-4,5-dihydroxybenzoic acid 5280760 -- 11.2672
3-Hydroxybenzoic acid 7420 -- 2.3965
3-HYDROXYDEOXODIHYDRODEOXYGEDUNIN ko00621 4.3623
3-Hydroxypropanal 75049 ko00750,ko01120 1.0522
3-Methyladenine 135398661 -- 4.1355
3-Methylbenzenecarbothioamide 736826 -- 4.2397
3-Methylindole 6736 ko00380 5.0602
3-Methyloxindole 150923 -- 5.0449
3'-N'-Acetylfusarochromanone 102571616 ko00130,ko01100,ko01110,ko01240,ko04977 11.0675
3-Oxovalproic acid 173719 -- 5.5808
3-Palmitoyl-sn-glycerol 14900 -- 10.8722
3-(p-Coumaroyl)ursolic acid 24203733 -- 9.1869
3-Penten-2-one 637920 -- 5.911
3-Phenylbutyric acid 20724 -- 6.3569
3-Phenylpropyl isothiocyanate 75815 -- 0.5179
3-Phosphoglycerate 724 -- 0.5925
(3R,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1-carboxylic acid 53873839 -- 9.5713
(3S,10R,13R)-10,13-dimethyl-17-[(E,2R)-6-methyl-5-methylidenehept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol 23724485 9.2544
(3S)-3-azaniumyl-4-hydroxy-4-oxobutanoate 44367445 1.0823
3-Vinyl-1,2-dithiacyclohex-4-ene 525328 -- 1.1431
{4-[2,3-Dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-hydroxy-6-methoxyphenyl}oxidanesulfonic acid 131835144 -- 0.5179
4-(2,4-Dichlorophenoxy)butanoic acid 1489 -- 1.0672
4-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)-1,3-thiazol-2-amine 2833394 -- 5.8192
4-(2-Pyridylazo)-N,N-dimethylaniline 81528 -- 8.4545
4-(2-Thienyl)-6-(trifluoromethyl)pyrimidin-2-ol 756548 -- 13.0678
4-(3,4-Dichlorophenyl)-2-hydrazino-6-(trifluoromethyl)pyrimidine 7018677 -- 0.5848
4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide 4521392 -- 4.1586
4-(4-Chlorophenyl)-6-(difluoromethyl)-2-(ethylsulfonyl)pyrimidine 17191224 -- 5.0144
4,4'-Diaponeurosporene 6443791 -- 12.3346
4,4'-Diapophytofluene 16061258 ko00982 6.0306
4,4'-Thiodianiline 8765 ko00906,ko01100,ko01110 6.9499
4-(5-(3-Hydroxyphenyl)thiophen-2-yl)-2-methylphenol 25192475 -- 0.577
[4-(5,7-dihydroxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 131836607 -- 0.7158
4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-piperidine 11741525 -- 5.8948
4-Amino-5-hydroxymethyl-2-methylpyrimidine 777 -- 12.4149
4-(Aminomethyl)pyrimidine 12933348 -- 6.378
4-Aminophenol 403 -- 2.9984
4-Aminophenylsulfur Pentafluoride 2779190 -- 0.761
(4aR,5S,8aR)-5-[2-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]ethyl]-1,1,4a,6-tetramethyl-4,5,8,8a-tetrahydro-3H-naphthalen-2-one 101596842 -- 7.4835
(4aR,6aS,6bR,12aS,12bR,14bS)-2,2,4a,6a,6b,9,12a-Heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,13,14b-octadecahydropicene 91735359 ko00980 8.9877
(4-Bromophenylsulfanyl)pyruvic acid 440275 -- 0.4888
4-Chloro-1,1-dioxidotetrahydrothiophen-3-yl acetate 282947 -- 13.1137
4-Chloro-3-nitrobenzoic acid 7320 -- 0.7924
4-Chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol 135566415 -- 6.2802
4-Chlorobenzenesulfonamide 66824 -- 1.0823
4-Chloronitrosobenzene 13614 -- 0.7838
4-deoxy-2-O-sulfo-beta-L-erythro-hex-4-enopyranuronosyl-(1,4)-D-N-sulfoglucosamine 6-O-sulfate 91820214 ko00730,ko01100,ko01240,ko02010 0.5303
4-Dodecylbenzenesulfonic acid 8485 -- 2.8959
4-epi-11-nor-Aristola-1(10),11-diene 637290 -- 8.9034
4-Guanidinobutyric acid 500 -- 0.6236
4-Hydroxy-3-methoxycinnamaldehyde 5280536 -- 5.5808
4-Hydroxyamphetamine 3651 -- 5.336
4-Hydroxybutanoate 3037032 ko00230,ko01100,ko01232 5.4598
4-Methylhexanoic acid 15271 -- 3.0291
4-Methylthiobutanaldoxime 25010747 -- 2.2677
4-Methylumbelliferyl glucuronide 91553 -- 0.639
4-O-hexopyranosylhex-2-ulofuranose 3872 -- 0.6547
4-Pentenoic acid 61138 -- 3.2731
4-Pentyn-1-ol 79346 ko00350,ko01100 0.9279
4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione 5001598 ko00230,ko01100,ko01232 0.5179
4-Phenylquinolin-8-amine 108726 ko00600,ko01100 4.0755
4-Propylphenol 12580 -- 7.6537
[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphono hydrogen phosphate 440963 -- 0.5305
4-tert-Butylbenzoic acid 7403 -- 8.1048
4-(Trifluoromethyl)pyrimidine-2-carbaldehyde 17800078 -- 13.5752
4-Vinylcyclohexene 7499 -- 4.0853
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl 124202097 -- 12.4757
5-(3-Buten-1-ynyl)-2,2'-bithiophene 70813 -- 1.0372
5,6,7,8-Tetrahydro-2-naphthoic acid 70804 -- 0.7602
5-(7-Acetyloxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl)-2-methylpenta-2,4-dienoic acid 621355 -- 7.6683
5,7-Dichlorokynurenic acid 1779 -- 0.5325
5,7-Dimethoxyflavanone 378567 -- 8.4622
5,7-Dimethoxyflavone 88881 -- 8.0654
5-{9,32-Dihydroxy-6,10,13,19,20,32-hexamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.1^{1,4}.1^{4,7}.0^{12,17}.0^{17,23}]pentatriaconta-10,13,22-trien-14-yl}-3-methyloxolan-2-one 10699960 -- 9.1409
5alpha-Campestane 6857533 -- 10.0839
5-Aminopentanoic acid 138 -- 7.8125
(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile 788052 -- 0.4888
5-Bromo-4-(trifluoromethyl)pyrimidin-2-amine 45382152 -- 0.8071
5-Bromo-7-methoxy-1-benzofuran-2-carboxylic acid 3358971 -- 0.7924
5-Chlorohydroxyquinone 52940235 -- 0.761
5-(Diphenylphosphinyl)pentanoic acid 10380172 ko00625,ko01120 0.517
5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone 9795270 -- 11.8878
5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate 443736 -- 12.6137
5-Hydroxyhexanoic acid 170748 ko00943,ko01061,ko01100,ko01110 3.3419
5-Methoxy-N,N-diisopropyltryptamine 151182 -- 7.2556
5-Methoxytryptophan 151018 ko00950,ko01100 5.5808
(5-methyl-2-methylidenehexyl) (Z,2S)-2-hydroxy-6-[(1S,4Z,6E,9R,11R,12S,13S,14E,16Z,19E,21R,23R,24R)-11-hydroxy-24-(hydroxymethyl)-12,15,24-trimethyl-3-oxo-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-23-yl]hex-4-enoate 56928132 -- 11.006
5-Methyl-5-hexen-2-one 228604 -- 3.2923
5-Methylthiopentanaldoxime 25010757 -- 5.0525
5-O-Methyllicoricidin 196831 -- 8.5169
5S-Hydroxy-6R-(S-cysteinyl)-7E,9E,11Z,14Z-eicosatetraenoic acid, methyl ester 71684545 -- 7.6825
5-Sulfamoylfuran-2-carboxamide 220999 -- 12.8598
5-[(Z)-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide 5329103 -- 5.0449
6-(2-(2-Methyl-1H-imidazol-1-yl)ethyl)-1,3,5-triazine-2,4-diamine 162320 -- 4.3623
6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 131833725 -- 4.9844
6-[4-(1-cyclohexyltetrazol-5-yl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butoxy]-3,4-dihydro-1H-quinolin-2-one 131668291 ko00230,ko01100,ko01120 11.0213
6beta-Hydroxydexamethasone 63050 ko07053 5.5962
6-Hydroxychlorzoxazone 2734 -- 1.2345
6-Hydroxyflavanone 2734580 -- 5.1031
6-Methyl-5-hepten-2-one 9862 ko00760,ko01100 4.0777
6-Methylcoumarin 7092 -- 5.5808
6-Phosphogluconic acid tri(cyclohexylammonium) salt, Grade V 16212687 ko00945,ko01110 4.1893
7-[(2R)-3-hydroxy-2-(3-hydroxy-5-methylnon-1-enyl)-5-oxocyclopentyl]-3-methoxyheptanoic acid 57370058 -- 9.3325
7-[3-(Dimethylamino)propoxy]-6-Methoxy-2-(4-Methyl-1,4-Diazepan-1-Yl)-N-(1-Methylpiperidin-4-Yl)quinazolin-4-Amine 44251522 -- 8.3246
7alpha-Hydroxycholesterol 107722 -- 7.8836
7-Chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide 3688 -- 0.7924
7-Chloro-6-demethylcepharadione B 131752718 -- 5.4738
7-Ethyl-10-hydroxycamptothecin 104842 -- 5.9937
7-Hydroxywarfarin 54682507 -- 4.9844
7-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione 44306972 ko00982 8.5914
7-Nitroindazole 1893 -- 4.9844
8,11,14-Eicosatrien-5-ynoic acid 1777 -- 11.0985
8,12-iso-iPF2-VI 1,5- lactone -- 9.8848
8,9-Epoxyeicosatrienoic acid 5283203 ko00590,ko01100,ko04270,ko04726,ko04750,ko04913 6.4106
8'-apo-beta-Carotenol 5280991 -- 7.6673
8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-thiol 2453596 ko00140,ko01100,ko04114,ko04913,ko04914,ko04917,ko04925,ko04927,ko04934,ko05200,ko05207,ko05215,ko05224,ko07225,ko07226 0.792
8-Hydroxy-8-(2-pentyloxy-phenyl)-oct-5-ynoic acid methyl ester 11992126 ko00983 8.5958
8-iso Prostaglandin F2d4 -- 10.362
9(10)-EpOME 5316080 -- 10.362
9,10-Epoxystearic acid 15868 -- 10.4013
9,10-Phenanthrenequinone 6763 -- 5.4586
9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one 639 -- 12.7057
9-Hydroxycalabaxanthone 5495929 -- 7.4235
9-Octadecenal 5283381 -- 11.8234
9-oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid 5283099 -- 9.2482
Aceclofenac 71771 -- 5.4738
Acetazolamide 1986 -- 0.5925
Acetic acid 176 -- 12.5984
Acetophenone 7410 ko00642,ko01120,ko01220 6.9499
Acetoxyacetone 11593 -- 1.4701
Acetylcholine 187 ko00340,ko01065,ko01100,ko01110,ko04080,ko04664,ko04721,ko04750,ko04971,ko04974,ko05310,ko07227 4.2397
Acetylglycine 10972 -- 1.4701
Acetyl-L-carnitine 7045767 -- 8.3032
Acetyl sulfide 76708 ko00100,ko01100,ko04928,ko04961,ko04978,ko05152 13.4887
Acrylamide 6579 -- 8.2796
Actara 5821911 -- 1.0823
Acylsucrose S4:17[2](2,5,5,5) 91669255 ko00073 9.3094
Adenosine 60961 -- 1.6609
Adenylylselenate 440758 ko00450 0.5325
Adrenoyl ethanolamide 5282273 -- 10.3007
Ala-Leu-Val-Lys-Ala -- 10.9373
Ala-Ser-Ser-Thr-Lys -- 4.3469
Ala-Thr-Ile-Lys ko00680,ko01100,ko01240 3.2316
Ala-Val-Ala-Ile-Gln -- 10.4775
Alendronic acid 2088 -- 1.0711
Alfentanil 51263 -- 9.1256
Allantoic acid 203 ko00230,ko01100,ko01120 9.5707
all-trans-13,14-Dihydroretinol 446798 -- 6.6543
all-trans-Carophyll yellow 131751340 -- 8.2796
Allyl methyl sulfide 66282 -- 0.5179
Aloesin 160190 -- 2.7207
Aloin 14989 -- 4.7861
alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-D-GlcpNAc 11813424 -- 8.5093
alpha-Sanshool 6440935 ko00561 10.2864
Alprenolol 2119 -- 6.4992
Alternariol 5359485 -- 4.0733
Amantadine 2130 ko00564,ko05231 4.3469
Ametryn 13263 ko00643,ko01120 0.6059
Ammodendrine 442625 -- 9.1869
Ampicillin sodium 23663979 -- 9.5713
Androsterone 5879 -- 6.735
Aniline 6115 ko00260,ko00552,ko00564,ko01100,ko02010,ko04725,ko04976,ko05231 5.4586
Annomutacin 132076 -- 12.2817
Antanapeptin A 15546250 -- 8.2033
Antibiotic KM 208 86583338 ko00999,ko01100,ko01110 7.2012
Apixaban 10182969 -- 3.7691
APMF-Glu 74428095 -- 7.8968
Arachidonic acid-biotin 146156686 -- 9.8149
Arachidoyl glycine 71433203 -- 10.3774
Araliacerebroside 131751463 -- 10.7803
Arg-Arg-Lys-Ser-His -- 10.832
Arg-Asp-Arg 10252938 -- 7.6542
Arg-Gln-Arg 10226357 -- 4.7402
Arg-Glu-Ala-Phe-Arg -- 8.3549
Arg-Ile-Ala-Glu-Glu -- 9.2789
Arginine 6322 -- 7.5295
Arg-Leu-Leu-Asn-Leu -- 3.6314
Arg-Lys-His 145453879 -- 8.0348
Arg-Met-Met 145453897 -- 7.6673
Arg-Phe-Arg 10205893 -- 8.1267
Arg-Thr-Ala-Arg -- 3.5025
Arg-Thr-Lys-Arg -- 10.2241
Arg-Val-Asn-His-Val -- 5.769
Arg-Val-Phe-Asp-Lys -- 7.9755
Aromatized deshydroxy-C-1027 chromophore 5281920 -- 0.669
Asn-Arg-Gln 145454017 -- 7.2516
Asn-Arg-Glu-Ser-Leu -- 10.2241
Asn-Glu-Lys 10309509 -- 6.735
Asn-Gly-His 145454116 -- 8.0394
Asn-Leu-Pro-Ala-Lys -- 9.6314
Asn-Phe-Met 145454228 -- 6.9499
Asn-Tyr-Asp-Arg -- 8.9266
Asparagine 6267 -- 1.056
Asparagylalanine 18218175 -- 3.1664
Asp-Arg-Gln-Arg -- 10.4775
Asp-Leu-His-Ala-His -- 9.2789
Asp-Leu-Met 145454484 -- 12.8598
Asp-Trp-Tyr 145454590 -- 0.6547
Asp-Tyr-Asp-Asn-Phe -- 9.2789
Avenoleic acid 45934094 -- 8.8344
Azacitidine 9444 ko00627,ko01120 0.5042
Azelaoyl PAF 17757205 -- 8.2033
Azobenzene-4-sulfonic acid 17210 -- 3.9198
Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-3-hydroxy-3-(hydroxymethyl)-4a,8-dimethyl- 216285 -- 7.6598
Ba 2652;Stilbamidin 8811 -- 0.4888
Barbaloin 12305761 -- 5.1062
benfluralin 2319 ko00230,ko00740,ko00790,ko01100,ko01110,ko01232,ko01240,ko02025,ko04014,ko04015,ko04122,ko04140,ko04144,ko05111 4.1586
Benzaldehyde 240 -- 1.056
Benzamidine 2332 -- 4.1586
Benzidine Yellow GR 174092 -- 12.4307
Benzydamine 12555 -- 7.4989
Benzyl-furan-2-ylmethyl-amine 39338 -- 5.5962
Benzyl n-[(2s)-4-methyl-1-[[(2r)-4-methyl-1-[[(2s)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate 45103781 -- 8.2796
beta-Alanine 239 -- 1.6606
beta-Amyrone 12306160 -- 8.4091
beta-D-gentiobiosyl crocetin 10461942 ko00740 11.0675
beta-Glycerophosphoric acid 2526 -- 0.5179
Betaine 247 -- 0.6701
Betaine aldehyde 249 ko00220,ko00261,ko00330,ko00331,ko00470,ko00970,ko00998,ko01060,ko01064,ko01100,ko01110,ko01230,ko02010,ko04150,ko04974,ko05014,ko05022,ko05142,ko05146,ko05230 6.75
Beta-Mercaptoethanol 1567 -- 0.5042
beta-Peltatin A 2363 -- 6.9499
beta-Sitosterol 222284 ko00100,ko01060,ko01062,ko01100,ko01110 8.7569
Bethanechol 2370 -- 6.735
Bezafibrate 39042 -- 9.0796
Bicalutamide 2375 -- 0.5305
Biliverdin 5280353 -- 8.2796
Biosone 18526330 -- 9.0796
Bis(2-ethylhexyl) adipate 7641 -- 12.7363
Bis(2-ethylhexyl) phthalate 8343 -- 9.6466
Bis(chloromethyl) ether 10967 -- 1.2339
bisphenol A diglycidyl ether 2286 -- 6.9499
Bispyribac 443031 -- 4.3469
Biuret 7913 -- 0.7459
Brassinolide 115196 -- 8.2796
Bufexamac 2466 -- 4.9844
Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester 15950454 -- 6.0003
Butopyronoxyl 10760 -- 12.4911
Butylate 16181 -- 9.5713
Butylone 56843046 -- 5.5808
C24:1 Sphingomyelin 44260126 ko00600,ko01100,ko04071,ko04217 12.4061
C24 Sphingomyelin 44260127 -- 10.3601
C25H50NO6P 21668182 -- 7.7435
Caffeic acid 689043 -- 3.7231
Caffeine 2519 -- 3.2961
Calcitriol 5280453 -- 9.6466
Calcium Metasilicate -- 12.8598
Camptothecin 24360 -- 3.9505
Cannabisin G 10438919 -- 5.9098
Caprylic acid 379 -- 12.629
Carbaprostacyclin-biotin ko00260,ko01100,ko02010 9.7995
Carbaryl 6129 ko00791,ko01100,ko01120 5.0449
Carmustine 2578 -- 1.1735
Carnitine 288 -- 5.5918
Carnitine C4:DC -- 0.4888
Caruilignan D 10850329 -- 6.9499
Carvedilol 2585 -- 6.9499
Cedrol 65575 ko00232,ko01060,ko01065,ko01100,ko01110,ko01120 6.5069
CE(MonoMe(11,3)) 131770401 -- 11.0985
Cephemimycin 441084 -- 9.5713
Cer(d18:1/24:1(15Z)) 5283568 -- 11.5755
Chinomethionat 17109 -- 5.6115
Chlomethoxyfen 36250 -- 0.761
Chloramine -- 0.7915
Chloramphenicol palmitate 443382 ko00140,ko01100 9.6466
Chloroacetaldehyde 33 -- 12.4757
Chloromethyl methyl ether 7864 -- 0.7308
Chlorpropamide 2727 -- 5.0526
Chlorthiamid 2734819 -- 1.4701
Chlorthiophos 30859 -- 0.5913
Choline 305 -- 9.2789
Cicerin 7-(6-malonylglucoside) 74413691 -- 0.639
Cimetidine 2756 -- 9.7689
Ciprofibrate 2763 -- 9.9855
cis-3-Hexen-1-ol 5281167 ko00592,ko01110 4.0164
Citraconic acid 643798 -- 4.0755
(+)-Cloprostenol methyl amide 91746222 8.4622
Colfosceril palmitate 452110 -- 11.1753
Conessine 441082 -- 7.6673
Convicine 88000 -- 4.9844
Coumaphos 2871 -- 12.7517
Crustacean Erythrophore Concentrating Hormone 123998 -- 0.5592
Cucurbitacin P 441822 -- 8.2871
Curcumol 14240392 -- 3.0748
Curtisian O 10365840 -- 0.6547
Cyanidin 128861 -- 5.1645
(Cyclic(glycyl-N(5)-acetyl-N(5)-hydroxy-L-ornithyl-N(5)-hydroxy-L-ornithyl-N(5)-acetyl-N(5)-hydroxy-L-ornithylgylcyl-L-seryl)ato(3-))iron 159936 -- 2.6445
Cys-Arg-Met 145454647 -- 6.9515
Cys-His-Lys 145454762 -- 6.9499
Cysteylhistidyllysine 18219910 -- 6.9499
Cythioate 8293 -- 4.301
Dalcetrapib 6918540 ko00940,ko01110 6.9575
Dehydrocarpaine II 131750992 -- 9.1869
delta-Hexanolactone 13204 -- 3.3419
Deoxycholic acid glycine conjugate 22833539 -- 8.4622
Deoxyhexose 840 -- 4.1586
D-Erythroascorbic acid 1'-a-D-xylopyranoside 131751465 ko00564,ko05231 12.5217
D-Erythrose 4-phosphate 122357 ko00300,ko00470,ko01100,ko01110,ko01120,ko01230 12.4149
Desmethylalborixin 9854219 -- 10.3773
Desoxycortone 6166 ko00010,ko00430,ko00440,ko00534,ko00620,ko00630,ko00660,ko00680,ko00720,ko00908,ko00920,ko01100,ko01110,ko01120,ko01200,ko01220,ko04725,ko04936,ko04973,ko04974 6.9667
Devazepide 443375 ko00360,ko00643,ko01100,ko01120 0.5179
Dexamethasone 5743 -- 7.8825
D-Fructose-6-phosphate 439160 -- 0.5179
DG(18:3(6Z,9Z,12Z)/16:0/0:0) 53478115 -- 11.5908
DG(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)/0:0) 9543784 -- 11.1293
DG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0) 9543795 -- 12.3682
DG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/0:0) 53478167 -- 0.5325
Di-2-propenyl heptasulfide 53854515 -- 13.1727
Diallyl trisulfide 16315 -- 12.6443
Dibasic sodium phosphate 24203 -- 13.5082
Dibucaine 3025 -- 3.4479
Dibutyl phthalate 3026 -- 9.5713
Dichlofluanid 14145 -- 0.776
Dichlorvos 3039 -- 0.4888
Diclofenac 3033 -- 5.6728
Dicyclohexylamine 7582 -- 6.4992
Diethyl disulfide 8077 -- 0.3563
Diethyl glutarate 13163 -- 4.2243
Diethyl hydrogen phosphate 654 -- 10.6446
Dihydroconiferyl alcohol 16822 -- 7.2919
Dihydromethanophenazine 5281993 -- 10.1934
DI(Hydroxyethyl)ether 8117 ko00040,ko01100 12.6597
Diisononyl phthalate 590836 -- 12.0357
Diisooctyl phthalate 33934 -- 10.798
Dimepiperate 91679 -- 6.9499
Dimethyl 4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate 674174 -- 0.4888
Dimethyl sulfoxide 679 -- 1.0372
Dinitrogen trioxide 61526 -- 13.1137
Dinoseb 6950 -- 0.6547
Dioctyl phthalate 8346 -- 11.069
Dioleoylphosphatidylcholine 5364680 ko00901,ko01063,ko01110 8.2796
Diphenyleneiodonium 3101 -- 1.0672
Diprogulic Acid 65420 -- 3.9505
Diquafosol 148197 -- 0.5912
Disodium 2-hydroxypentanedioate 218623 ko04714,ko04976,ko05415 13.1291
DL-Citrulline 833 -- 4.3469
DL-Homocysteine 778 -- 1.0692
DL-Ornithine 389 -- 4.3623
d-Myo-inositol-1,4,5-triphosphate 439456 ko00562,ko01100,ko04010,ko04012,ko04014,ko04020,ko04022,ko04024,ko04062,ko04064,ko04066,ko04070,ko04071,ko04072,ko04114,ko04261,ko04270,ko04370,ko04371,ko04380,ko04540,ko04611,ko04613,ko04621,ko04625,ko04650,ko04658,ko04659,ko04660,ko04662,ko04664,ko04666,ko04720,ko04722,ko04723,ko04724,ko04725,ko04726,ko04728,ko04730,ko04742,ko04745,ko04750,ko04911,ko04912,ko04915,ko04916,ko04918,ko04919,ko04921,ko04922,ko04924,ko04925,ko04926,ko04927,ko04928,ko04929,ko04933,ko04934,ko04935,ko04961,ko04970,ko04971,ko04972,ko05010,ko05012,ko05016,ko05017,ko05022,ko05110,ko05131,ko05135,ko05142,ko05143,ko05146,ko05163,ko05167,ko05169,ko05170,ko05200,ko05214,ko05223,ko05225,ko05235,ko05417 0.5836
D-Nmappd 10070893 -- 5.6575
Docosanamide 76468 -- 10.9677
Docosatrienoic acid 5312557 -- 10.5833
Donhexocin 100913738 -- 10.6599
D-phenylalanine 71567 -- 1.7569
Drofenine 3166 -- 8.8037
Dropropizine 3169 -- 4.3546
D-Xylono-1,5-lactone 439692 -- 1.2345
(E)-6-[(7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid 91884885 -- 4.3561
Eicosane 8222 -- 10.0708
Emodin 3220 -- 7.8201
Endoxifen sulfate 131770047 ko00240,ko01100 8.024
(-)-Epicatechin 72276 -- 3.1429
Ergosterol peroxide 5351516 -- 6.0306
erythromycin A(1+) 44629456 -- 0.5325
Erythrosine 12961638 -- 8.2796
Esculetin 5281416 -- 3.6772
Ethacrynate sodium 23668825 -- 12.4301
Ethanethioic acid 10484 ko00591,ko01040,ko01100 12.5677
Ethephon 27982 -- 1.0672
Ethopabate 6034 -- 5.5808
Ethoxzolamide 3295 -- 4.3164
Ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate 351912 ko00966,ko01210 1.0349
(+-)-Ethyl 3-hydroxy-2-methylbutyrate 11987778 -- 7.7435
Ethyl 4-(cyclopropanecarbonylamino)benzoate 310173 -- 5.6728
Ethyl alpha-linolenate 5367460 -- 8.3398
Ethyl arachidonate 5367369 ko00254,ko01100,ko01110 6.5343
Ethyl pyruvate 12041 -- 1.0823
Ethyl tetradecanoate 31283 -- 5.8948
Ethyl vanillin 8467 -- 1.7491
Etilamfetamine 9982 -- 8.2796
Etobenzanid 12771065 -- 6.6085
Eudesobovatol B 10346031 -- 6.72
EUK 134 45489809 -- 0.6621
Euscaphic acid 471426 -- 9.2482
Farnesyl Thiosalicylic Acid Amide 25187973 -- 6.2956
Fasciculic acid C 45783123 -- 7.418
Fenchlorphos 9298 -- 0.761
Fendiline 3336 -- 2.7177
Fenothiocarb 44178 -- 4.6945
Fenoxanil 11262655 -- 4.9844
Fenson 6636 -- 5.4738
Feruloylputrescine 5281796 ko00360 2.6391
FFA(12:1) 5312378 -- 7.3435
Fidaxomicin Metabolite OP-1118 53319961 -- 9.7492
Fipronil 3352 -- 0.5907
Firefly luciferin 92934 -- 4.3164
Flavone 10680 -- 6.6085
Fluorodifen 27295 ko00220,ko01100,ko01110,ko01210,ko01230 2.3965
Fluphenazine sulfoxide 3036919 -- 7.2669
Flusulfamide 86268 -- 0.5325
Formononetin 7-O-glucoside-6''-O-malonate 23724663 -- 5.2521
Formylanthranilic acid 101399 -- 4.7097
Formylisoglutamine 20802017 -- 9.8936
Formyl phosphate 168934 -- 1.0823
Fucoxanthin 5281239 ko00380,ko01100 11.1298
Furafylline 3433 -- 12.4613
Furametpyr 3083543 -- 12.8861
Fusidic acid 3000226 -- 7.7435
Gamma-Caprolactone 12756 ko00230,ko01100,ko01120,ko04976 2.4134
gamma-L-Glutamyl-L-pipecolic acid 69247902 -- 4.9804
gamma-Linolenic Acid 5280933 -- 10.5376
ganoderal A 13934282 -- 11.1293
Ganoderic acid A 471002 -- 11.0213
Ganoderiol I 15602271 -- 9.9088
ganoderol A 13934284 -- 8.2796
GcNeu 123802 -- 7.3742
GENALKDAK/2_0 -- 12.4528
Genistein 5280961 -- 12.7985
Gentian violet cation 3468 -- 6.6893
Geodin 216465 -- 0.5395
Geranylcitronellol 5365870 -- 6.0458
Geranylgeraniol 5281365 -- 6.0458
Gingerglycolipid A 10349562 -- 7.5156
Ginkgolic acid 5281858 -- 3.3838
Ginsenoside F1 9809542 -- 10.8287
Gln-Gln-Gln-Glu-Gln -- 10.47
Gln-Gln-Ser 11164313 -- 0.639
Gln-Phe-Asp 145455170 -- 7.5295
Gln-Val-Leu-Arg -- 9.3552
Glu-Ile 9813855 ko00627 4.9693
Glu-Leu 9813855 -- 4.7097
Glutamine 5961 ko00220,ko00250,ko00260,ko00261,ko00270,ko00300,ko00340,ko00410,ko00460,ko00470,ko00710,ko00760,ko00770,ko00970,ko00997,ko00998,ko00999,ko01060,ko01064,ko01070,ko01100,ko01110,ko01120,ko01200,ko01210,ko01230,ko01240,ko02010,ko02020,ko02030,ko04080,ko04974,ko05230 0.6547
Glu-Tyr-Ile-Glu -- 11.0213
Gly-Arg-Lys 10882891 -- 3.2275
Glycerol 1-myristate 79050 -- 9.9855
Glycerophospho-N-Palmitoyl Ethanolamine 53393933 ko00623,ko00627,ko01100,ko01120,ko01220 7.9275
Glyceryl monooleate 5283468 -- 10.7343
Glyceryl monostearate 24699 ko00627,ko01120 12.0357
Glycine 750 -- 1.4729
Glycolaldehyde 756 -- 13.1444
Gly-Leu-Ser-Pro-Lys -- 8.6155
Gly-Lys-Val-Lys-Lys -- 9.2022
Glyphosate 3496 -- 1.7569
Glyphosine 17112 -- 1.1431
Goniodomin A 6440832 -- 11.2826
Goshonoside F2 13855763 -- 9.2482
Goyaglycoside h 85203191 -- 8.6516
Griseofulvin 441140 ko00940,ko01110 5.6575
Harman 5281404 -- 3.1511
HC Blue no. 2 36383 -- 4.641
Heptadecanoyl carnitine 53477803 -- 11.1339
Hexadecylamine 8926 -- 6.3169
Hexamethylphosphoramide 12679 -- 7.6537
Hexetidine 3607 -- 6.0003
His-Ala-Glu-Asp-Gly -- 11.118
His-Asn-Ile 145455768 -- 9.5411
His-Gln-Thr 145455826 -- 11.5678
His-Lys-Gln-Lys -- 8.9417
His-Lys-Met 145455904 -- 8.4622
His-Phe-Arg 145455928 -- 8.1267
His-Phe-Tyr-Asp -- 11.0675
Histamine 774 ko00564,ko05231 8.2645
His-Thr-Lys-Lys 145455976 -- 8.5695
Histidinol 776 -- 11.6713
Histidylmethionyllysine 18221459 -- 7.6673
Homobaldrinal 49999 -- 5.1062
Hordenine 68313 -- 2.2699
Huperzine b 5462442 -- 3.0748
Hv-NCC-1 15088501 -- 11.0675
Hydrogen carbonate 767 -- 1.0522
Hydrogen oxalate 3716971 -- 13.6151
Hydrogen phosphate 3681305 ko00998,ko01100,ko01110 0.7924
Hydrogen sulfide 402 -- 1.0522
Hydroxyecdysone 21362 -- 2.8959
Hydroxyurea 3657 -- 0.5042
Ile-His-Arg-Arg -- 9.2022
Ile-ile-thr 145456184 -- 3.7077
Ile-Leu-Ala-Ile-Val -- 9.049
Ile-Lys-Arg-Asp-Phe ko00270,ko00920,ko01100,ko01120,ko01200 8.5848
Ile-Thr-Val-Lys-Leu -- 9.8565
Ile-Val-Leu-Glu -- 4.3469
Imibenconazole 93483 -- 0.5179
Imidapril 5464343 -- 0.5014
Imidazole-4-methanol 1745 -- 0.5042
Imipraminoxide 65589 -- 9.0183
Imperialine 442977 -- 10.3467
Indole 798 -- 5.0449
Indole-3-carbinol 3712 ko00350,ko01100,ko04918 4.5219
Indole-3-carboxaldehyde 10256 -- 3.9505
Indoleacetaldehyde 800 -- 5.0449
Indoleacetic acid 802 ko00380,ko01070,ko01100,ko04075 3.9505
Indolepyruvate 803 -- 5.2549
Inosine triphosphate 135398643 ko00230,ko01060,ko01065,ko01070,ko01100,ko01110,ko01232,ko01240,ko01523,ko04742 12.4301
Inosinic acid 135398640 -- 8.6964
Inositol 1,3-bisphosphate 128419 -- 0.577
Iodotyrosine 439744 ko00250,ko00460,ko00970,ko01060,ko01100,ko01110,ko01230,ko04974,ko04978,ko05230 13.1367
Iriomoteolide 1a 16723501 -- 9.9088
Isobutyl isothiocyanate 68960 -- 1.2192
Isocarbamid 35699 -- 0.6081
Isofraxidin 5318565 -- 8.2967
Isoliquiritigenin 638278 ko00941,ko01061,ko01100,ko01110 8.8191
Isopropyl dodecylfluorophosphonate 24762154 -- 11.2596
Isoprothiolane 39681 -- 1.1215
Isorescinnamine, dihydro- 232430 ko00360,ko00400,ko00460,ko00470,ko00940,ko00960,ko00966,ko00970,ko00996,ko00997,ko00999,ko01060,ko01061,ko01063,ko01064,ko01070,ko01100,ko01110,ko01210,ko01230,ko02010,ko04974,ko04978,ko05230 11.069
Isoxathion 29307 -- 5.0449
Itaconic acid 811 ko00660,ko01100 5.4586
Jasmone 1549018 -- 0.639
Juvenile hormone I 11197171 -- 9.2022
JWH 018 N-(4,5-epoxypentyl) analog 91743670 -- 2.9896
JWH 200-d5 53394101 ko00564,ko05231 3.6795
Kinoprene 6434236 -- 10.7059
Kojibiose 164939 -- 0.6547
Kynurenic acid 3845 ko00941,ko01061,ko01100,ko01110 3.9351
L-3-Aminodihydro-2(3H)-furanone 73509 -- 9.2482
L-Alanyl-gamma-D-glutamyl-L-lysine 42609676 -- 9.4951
L-Alanyl-L-alanine 5484352 -- 0.5919
L-Aspartic acid 5960 ko00260,ko00261,ko00270,ko00460,ko00470,ko00564,ko00600,ko00630,ko00680,ko00920,ko00970,ko00997,ko00998,ko01060,ko01100,ko01110,ko01120,ko01200,ko01230,ko01240,ko01502,ko02010,ko04071,ko04974,ko04978,ko05230 0.7924
Lauroyl diethanolamide 8430 ko00624,ko00999,ko01120 6.1976
Lavendustin c 3896 -- 12.7517
L-canavanine 439202 -- 4.1914
Lecanoric acid 99613 -- 12.7517
Lenticin 442106 -- 2.7984
Letrozole 3902 -- 6.3627
Leu-Ala-Met-Glu-Arg ko00564,ko05231 10.4775
Leucodelphidin 440835 ko00941,ko01110 12.5064
Leukotriene D4 methyl ester 71684544 -- 7.9734
Leupeptin 72429 -- 10.568
Leu-Ser-Leu-Glu-Glu -- 9.2789
Leu-Thr-Gln-Gln-Leu -- 10.2854
Leu-Thr-Phe-Gln-Met -- 11.076
Leu-Thr-Pro-Asp-Ala -- 8.0194
Leu-Thr-Trp 145456528 -- 6.9499
Leu-Val-Val-Val-Asp -- 8.8267
Leu-Val-Val-Val-Gly -- 6.735
Licoricesaponin B2 13457498 ko00680,ko01100,ko01120,ko02020 0.5303
Lidocaine 3676 -- 3.0748
Liriodenine 10144 -- 13.0984
L-Isoleucine -- 1.0757
L-Leucyl-L-alanine 81721 ko00905,ko01060,ko01062,ko01070,ko01100,ko01110,ko04075 5.2521
L-Lysine, L-valyl-L-valyl- 9209478 -- 3.663
L-Norleucine 21236 -- 1.0522
L-Octanoylcarnitine 11953814 -- 9.4798
Longicamphenylone 91747202 -- 1.8311
Losartan 3-[(nitrooxy)methyl]benzoate 10371403 -- 6.4182
LPC(0:0/18:3) 85735491 -- 9.4251
LPC(0:0/20:4) 52924038 ko00360,ko00470,ko01100,ko04742 8.234
LPC(14:0/0:0) 460604 ko00592,ko01110 8.8132
LPC(15:0/0:0) 24779458 -- 7.8613
LPC(16:0/0:0) 460602 -- 8.7118
LPC(16:1/0:0) 24779461 -- 7.8048
LPC(18:1/0:0) 53480465 -- 8.8191
LPC(18:3/0:0) 24779469 ko00280,ko00290,ko00460,ko00960,ko00966,ko00970,ko01060,ko01064,ko01100,ko01110,ko01210,ko01230,ko02010,ko04974,ko04978,ko05131,ko05230 7.6607
LPC(20:5/0:0) 11757087 -- 7.7128
LPC(22:6/0:0) 10415542 ko00600,ko01100 8.2187
LPC(O-16:0/2:0) 108156 ko00230,ko01100,ko01120 9.8648
LPC(O-18:0/0:0) 3985 -- 11.0213
LPE(0:0/20:4) 53480936 -- 8.234
LPE(14:0/0:0) 9547070 -- 7.3435
LPE(16:1/0:0) 52925129 ko00564,ko05231 7.7588
LPE(18:0/0:0) 9547068 -- 8.2796
LPE(18:1/0:0) 9547071 -- 8.7578
LPE(18:2/0:0) 52925130 -- 8.3096
L-Phenylalanine 6140 ko00564,ko00590,ko00591,ko00592,ko01100,ko01110,ko04723,ko05231 0.761
L-prolyl-L-tyrosine 152264 -- 4.487
L-Saccharopine 160556 ko00300,ko00310,ko01100,ko01110,ko01230 4.9844
L-Serine 5951 ko00120,ko00230,ko00260,ko00310,ko00440,ko00460,ko00470,ko00480,ko00630,ko00680,ko00730,ko00860,ko00970,ko01060,ko01100,ko01110,ko01120,ko01200,ko01230,ko01240,ko01502,ko02010,ko02026,ko04080,ko04721,ko04974,ko04978,ko05230 5.4433
Lucidenic acid N 21592283 -- 7.9275
Lumichrome 5326566 -- 4.2857
Lys-Ala-Glu 145456568 -- 9.2944
Lys-Ala-Leu-Glu -- 7.6542
Lys-Cys-Val-Ala-Phe -- 8.3549
Lys-His-Met 145456674 -- 7.2556
Lys-Ile-Val-Lys -- 10.7552
Lys-Leu-Asn-His-Gln -- 8.2796
Lys-Leu-Thr-Arg -- 7.7435
Lys-Met-His 145456731 -- 7.6537
Lyso-PAF c-18 3985 -- 9.2482
Lys-Phe-Leu-Glu -- 8.2796
Lys-Phe-Lys-Met-Lys -- 11.1293
Lys-Ser-Asp-Glu-Thr -- 10.2854
Lys-Thr-Glu-Lys-Ala -- 10.2317
Lys-Tyr-Phe 132605042 -- 7.6673
Lys-Tyr-Val-Lys -- 9.2181
Maclurin 68213 -- 0.577
Mactraxanthin 102158275 -- 10.6753
Makisterone A 12312690 -- 9.2789
Maltopentaose 124005 -- 0.6547
Maltotriose 439586 -- 0.6547
Manglupenone 131751009 -- 8.4469
Marmesin 334704 -- 4.9511
Maslinic acid 73659 -- 6.077
Matairesinol 119205 ko00240,ko00908,ko01100,ko01232,ko01240,ko04080 8.865
Medifoxamine 36109 -- 4.7021
Mefenorex 21777 -- 5.336
Meldonium 123868 -- 1.0973
Melibiose 872 -- 0.6547
Menadiol disulfate 71103 -- 0.5305
Mequitazine 4066 -- 3.9505
Metaproterenol 4086 ko00030,ko00400,ko00710,ko00750,ko00997,ko00998,ko01060,ko01061,ko01063,ko01070,ko01100,ko01110,ko01120,ko01200,ko01230,ko01240 3.469
Metformin hydrochloride 14219 ko00520 4.1586
Methacycline 54675785 -- 5.1062
Methamidophos 4096 -- 5.4433
Methanesulfinate 3870744 -- 12.4911
Methanophenazine 5281992 -- 10.2394
Methenamine 4101 -- 12.4301
Methimazole 1349907 ko00627 1.4729
Methionine 6137 -- 4.2397
Methiothepin 4106 -- 10.929
Met-His-OH -- 9.5713
Methoxsalen 4114 -- 12.6145
Methoxybauerenol 621521 -- 8.7578
methyl (1S,15R,17S,18S)-6-[(1S,12R,14R,15E,18S)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-17-[(1R)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate 102483318 -- 8.667
Methyl 2-chloro-3,5-dinitrobenzoate 248909 -- 4.2397
Methyl 2-thiofuroate 61662 -- 5.1174
methyl 4-(1-methylpyrrolidin-1-ium-3-yl)-3-oxobutanoate 25201065 -- 12.4911
Methyl 4-amino-3,5,6-trichloropicolinate 84224 -- 12.4604
Methyl 4-hydroxycinnamate 5319562 -- 5.0449
Methyl 5-bromo-2-fluoro-3-nitrobenzoate 43449026 -- 1.0372
Methylarsonite 161491 -- 12.4757
Methyl caprylate 8091 ko02010,ko04973 6.0306
Methyl cholate 10960835 ko00230,ko00625,ko00630,ko01100,ko01120 3.8042
Methyl cinnamate 637520 ko00230,ko01100,ko01232 8.4541
Methyl dioxindole-3-acetate 14033762 -- 3.9505
Methyldiphenylphosphine 73879 -- 0.5179
Methylthiouracil 667493 -- 0.5042
Met-Met 6993081 -- 6.9499
Metronidazole 4173 ko00440,ko01100,ko01120 3.9505
Met-Ser-Phe-Thr-Phe -- 9.2789
Met-Thr-Ser 60151919 -- 2.9984
Metyrapone 4174 -- 0.6081
MG(0:0/18:2(9Z,12Z)/0:0) 5365676 -- 10.4013
MG(16:0/0:0/0:0) 3084463 -- 11.0756
MG(18:0/0:0/0:0) 15560610 -- 12.0357
MG(18:2/0:0/0:0) 5283469 -- 10.4013
Miconazole nitrate 68553 -- 0.5615
Misoprostol 5282381 -- 9.2482
Mitoglitazone 10429242 -- 9.5713
Momordicilin 102066427 -- 11.2826
Monomethyl phenylphosphonate 24913 -- 12.4826
moracin I 155976 -- 7.2996
Morphine N-oxide 5362459 -- 10.2261
Morpholin-4-ium (4-methoxyphenyl)morpholin-4-ylphosphinodithioate 53393943 -- 3.9505
Mycinamicin IV 6447311 -- 0.5325
Mycolactone 5282079 ko00270,ko01060,ko01070,ko01100,ko01110 8.865
Myosmine 442649 -- 2.2698
N-(1,3-Dihydroxyoctadecan-2-YL)-6-[(7-nitro-2,1,3-benzoxadiazol-4-YL)amino]hexanamide 53393951 -- 10.4775
N-(13-Methyltetradecyl)acetamide 47346 ko00052,ko00500,ko00680,ko00710,ko01100,ko01110,ko01120,ko01200,ko04152,ko04922,ko04931,ko05230,ko05415 11.1753
N-(13Z-docosenoyl)-sphing-4-enine-1-phosphocholine 52931203 -- 8.2796
N2-(1-Carboxyethyl)-L-arginine 440237 ko00300,ko01100,ko01110,ko01230 8.0194
N-[2-(3,4-Dihydroxyphenyl)ethyl]hexadecanamide 16759163 -- 7.9581
N-(2-Hydroxyethyl)docosanamide 3023585 -- 9.1869
N-(2-hydroxyethyl)icosanamide 3787294 -- 7.7916
N2,N2-Dimethylguanosine 135501639 ko00561 9.0553
N-(3,5-Dichlorophenyl)succinimide 90363 -- 0.761
N-(3-bromo-4-methoxybenzyl)cyclohexanamine 792202 -- 8.3096
N-(3-propan-2-yloxypropyl)-7H-purin-6-amine 4357241 -- 0.6469
N-[(3S)-Tetrahydro-2-oxo-3-furanyl]hexadecanamide 11609787 -- 5.955
N-[(3S)-Tetrahydro-2-oxo-3-furanyl]octadecanamide 69757690 -- 6.7718
N-(4,5-dimethylthiophen-2-yl)acetamide 2408995 -- 0.5014
N-(4-aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide 21927707 -- 10.3773
N-(5-Adamant-1-yl methoxy)pentyl deoxynojirimycin 3662391 -- 10.7246
n-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide 98791 -- 4.1586
N-acetyl-D-glucosaminic acid 5460401 -- 7.6537
N-Acetyl-DL-methionine 6180 -- 0.7924
N-acetyl-L-citrullinate 45266759 ko00930,ko01120 12.7985
N-Acetyl-L-glutamyl 5-phosphate 440236 -- 1.1583
N-acetyl-LL-2,6-diaminopimelic acid 440321 -- 7.6542
Nagaba 16759310 ko00998,ko01100,ko01110 9.9855
Nap-His-OH -- 4.3393
Naptalam 8594 -- 8.4929
Naringenin-7-O-glucoside 9910767 -- 0.639
Nbd-ceramide 16219783 -- 9.2789
N-benzyl-5-bromofuran-2-carboxamide 762672 -- 4.3164
n-Benzylacetamidine 445678 -- 8.2645
N-Benzyloxycarbonylglycine 14349 -- 2.9831
N-Benzyloxycarbonyl-L-leucine 74840 -- 11.0213
N-Butyl-11-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[A]phenanthren-7-YL]-N-methylundecanamide 104772 -- 10.7212
N-Caffeoyl serotonin 16659826 -- 3.9505
n-cis-Feruloyltyramine 6440659 -- 4.7861
N-Coumaroyl serotonin 5458879 -- 5.2549
N-Cyclohexylformamide 13017 -- 9.2482
N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide 11495398 -- 8.188
N-Desmethyl tapentadol 71159880 -- 5.6882
Neotigogenin acetate 313012 -- 8.7578
N-Ethylacetamide 12253 -- 0.5042
Neu5Ac2-6Gal1-4GlcSp -- 2.6423
N-Formyldemecolcine 26819 -- 5.5834
N-formylmaleamic acid 25188420 -- 6.3569
Niacinamide 936 ko00760,ko01100,ko01240,ko04212,ko04977 1.2954
Niclosamide 4477 -- 12.4301
Nicotinamide mononucleotide 14180 ko00400 4.9844
Nicotine 89594 ko00330,ko01100,ko02010 4.9994
Nilutamide 4493 -- 9.1488
N-(indole-3-acetyl)-L-leucine 688142 -- 3.9505
Nitromethane 6375 -- 0.792
Nitroxoline 19910 -- 4.9787
N-METHYLANILINE 7515 -- 5.5808
N-methylundec-10-enamide 17825027 -- 5.6882
N,-N-diacetyl-O-methylhydroxylamine 538412 ko00950,ko01100,ko01110 2.3965
N,N-Dimethylaniline 949 -- 7.6537
N,N-Dimethyl-N'-(3-thienylmethyl)-1,2-ethanediamine 4723866 -- 8.1267
N,N-dimethylsphingosine 5282309 -- 11.959
N,N,N-Trimethyl-Histidine 440727 -- 6.9499
N-octanoylsphingosine 5702614 -- 10.0861
N-octanoylsphingosine 1-phosphate 10864091 -- 6.3456
Nomifensine maleate 5358907 -- 4.3469
Nonoxynol-9 72385 -- 11.8234
Nootkatol 182645 ko00524,ko01110 7.4835
Norcamphor 10345 -- 8.2645
Noscapine 275196 -- 12.8598
N-pentadecanoyl-L-Homoserine lactone 68865575 -- 6.4992
NSC 23766 trihydrochloride 16759159 ko00760,ko01100,ko01120 7.6388
N-tetradecanoyl-L-Homoserine Lactone 58122267 -- 6.0458
N-trans-Feruloyloctopamine 24096391 -- 3.9198
N-Undecanoylglycine 454092 -- 5.6882
O2-Vinyl 1-(Pyrrolidin-1-yl)diazen-1-ium-1,2-diolate 9605288 -- 5.5808
O-Acetyl-L-homoserine hydrochloride 45038083 -- 0.6853
Obacunone 119041 -- 7.2556
Octadecadienamide 54225156 -- 10.3007
Octadecylamine 15793 ko00061,ko00785,ko01060,ko01066,ko01100,ko01240 8.6155
Octafluorocyclobutane 8263 ko00860,ko01100,ko01110 12.4301
Octylamine 8143 -- 4.6168
Oleamide 5283387 -- 11.0366
Oleana-12-ene-3beta,28-diol 3-[(Z)-3-(4-hydroxyphenyl)propenoate] 10793511 ko00960,ko00980,ko01064,ko01110,ko04714,ko05033,ko05207 11.8884
Oleic acid 445639 -- 8.5695
Oleic Acid-biotin -- 10.2261
Oleoyl Ethanolamide-d4 312636340 -- 7.5468
O-Methylsterigmatocystin 104940 -- 4.9844
Ondansetron hydrochloride dihydrate 59774 ko00562,ko01100,ko04070 12.2601
O,O-Diethyl hydrogen thiophosphate 655 -- 12.8675
o-Phenylenediamine 7243 -- 0.7308
Ortophosphate -- 0.5325
Oxalic acid 971 -- 0.776
Oxandrolone 5878 -- 9.2865
Oxibendazole 4622 -- 3.4622
Oxotremorine 4630 -- 12.4452
Oxymatrine 114850 -- 9.8872
Ozagrel 5282440 -- 5.2396
Ozone -- 12.5064
P1,P4-Bis(5'-adenosyl) tetraphosphate 25243905 -- 0.5531
Pachyrrhizin 101277 -- 8.3096
Palmitic amide 69421 -- 10.7956
Panaxatriol 73599 -- 8.2666
Paraoxon 9395 -- 1.2345
Pargyline 4688 -- 5.5962
Paritaprevir 45110509 -- 0.6547
Paromamine 439560 ko00340,ko01100 6.735
pateamine A 10053416 ko00999,ko01061,ko01110 7.6542
Pavetannin B6 13990885 -- 3.1998
PC(16:0/2:0) 16759367 -- 8.188
PC(18:0/18:2) 6441487 ko00600,ko01100,ko04020,ko04071,ko04072,ko04080,ko04371,ko04666,ko05152 9.6924
PC(8:0/8:0) 24779244 -- 9.8848
PC(O-16:0/O-1:0) ko00190,ko00195,ko02010,ko02020,ko02024,ko04111,ko04928,ko04978,ko05012,ko05022 7.7435
PC(O-16:0/O-2:0) -- 10.4775
PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 53481755 -- 8.2796
p-Coumaryl alcohol 4-O-glucoside 5280847 ko00380,ko00400,ko00402,ko01100,ko01110,ko04974 7.6522
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 52924571 -- 12.4149
Pectolinarigenin 5320438 -- 4.546
(+)-Penbutolol 162302 -- 6.735
Penciclovir 135398748 -- 9.3558
PE-NMe(16:0/16:0) 9547031 -- 10.1627
PE-NMe(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) 131820091 -- 9.7535
PE-NMe2(16:0/16:0) 9547021 -- 10.5986
PE-NMe2(18:1(9Z)/18:1(9Z)) 9547022 -- 9.0647
Pentadecylamine 17386 -- 6.3496
Pentamycin 5282200 -- 7.1039
Pentyl hexanoate 10886 -- 6.8094
Perhexiline maleate 5284439 ko00920,ko01100 7.418
PG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 52926490 -- 12.3758
PG(a-13:0/i-14:0) 131823277 -- 11.0675
PGF2alpha methyl ether 5283074 -- 10.3755
PG(i-12:0/18:2(9Z,11Z)) 131823287 -- 9.1396
Pgp(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) 53481832 -- 12.4304
Phe4Cl-Abu-OH -- 5.7962
Phe4Cl-TyrMe-OH -- 10.6731
Phe-Asn-Thr-Lys -- 11.8834
Phe-Asp-Lys 145457162 -- 5.5808
Phe-Gly 6992304 -- 5.0495
Phe-His Zwitterion 146026578 -- 9.5713
Phe-Ile-His-Arg -- 9.8149
Phe-Leu-Tyr-Asp -- 5.1369
Phe-Lys-His 145457263 -- 11.8807
Phenethyl rutinoside 14312558 -- 7.6542
Phenol 996 -- 1.6217
Phenthoate 17435 ko00380,ko01100 0.5836
Phenylacetone 7678 -- 7.6537
Phenylacetylglycine 68144 -- 3.9476
Phe-Phe-Ser 145457293 -- 7.6522
Phe-Thr-Asn-Lys -- 7.4332
Phe-Tyr-Val-Lys -- 7.2669
Phlorin 476785 -- 0.6547
Phlorizin 6072 -- 3.9044
Phoenicoxanthin 16061231 -- 11.1293
Phosphonoacetaldehyde 490 -- 1.0522
Phosphonoacetate 546 -- 12.4149
Phytosphingosine 122121 -- 5.955
PI(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)) 52927780 -- 12.4301
Pinolenic Acid ethyl ester 35027734 ko00380,ko01100 9.7842
Pinostrobin chalcone 5316793 -- 7.4989
Pipericine 9974234 -- 12.1711
Piperidine 8082 -- 1.0692
Pivalanilide 81103 ko00310,ko00330,ko00470,ko01100,ko01120 4.3561
Poloxamer-188 22895896 -- 6.75
Polyporusterone A 10814524 ko00040,ko00630,ko00750,ko00790,ko01100,ko01120 8.234
Polyvinyl chloride 6338 -- 12.4604
Ponceau SX 62542 -- 0.577
Pov-pc 23557187 -- 6.7348
p,p'-DDE 3035 -- 12.4301
Prallethrin 9839306 -- 6.9499
Prenol 11173 -- 4.6792
Prinomide 60352 -- 1.4701
Pro-Ala-Glu 102410341 ko00960,ko04974 4.2397
Profenofos 38779 -- 0.5325
Progesterone 5994 ko00052,ko00500,ko01100,ko01110,ko02010,ko02060,ko04742,ko04973 6.735
Proline betaine 115244 -- 0.693
Prolylthreonine 18218237 -- 4.6945
Pro-Lys 9209431 -- 3.3229
Promegestone 36709 -- 11.0675
Propanoyl phosphate 1034 -- 1.0823
Prorocentrolide 6443358 ko05207 8.2796
Prosulfocarb 62020 -- 4.255
Protoveratrine B 442981 -- 0.5325
Proxan 7919 ko00563,ko00564,ko00600,ko01100,ko01503,ko04071 13.8905
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) 131820002 -- 12.4149
Psilocin 4980 -- 4.0887
Purmorphamine 5284329 -- 5.8351
Pyrazin-2-carboxylic acid 1047 -- 1.056
pyrazole 1048 -- 2.9927
Pyridaben 91754 -- 9.2298
Pyridoxal 5'-phosphate(2-) 644168 -- 13.8451
Pyridoxamine 1052 ko00750,ko01100,ko01120,ko04977 2.2656
Pyroglutamylglutaminyllysine 91746341 -- 5.5808
Pyrohyperforin 73808497 -- 10.3007
Quercetin 3,3',7-trissulfate 5280631 ko00640,ko00660,ko01100 12.4452
Quinalphos 26124 -- 4.1586
Quinoline 7047 -- 3.9505
Quizalofop 178795 -- 7.0109
(R)-3,3-dimethylmalic acid 439392 -- 6.6085
Rebamipide 5042 -- 7.3742
Rel-zanthodioline 5315424 -- 0.5041
Repaglinide 65981 -- 7.9449
Reticulataxanthin 131752077 -- 11.5712
Rhodovibrin 5366505 ko00340,ko01100 11.2604
Rhodoxanthin 5281251 ko00830 10.4775
Riboflavin 493570 ko00740,ko01100,ko01110,ko01240,ko02010,ko04977 3.1051
Rimantadine 5071 ko00941,ko00942,ko01061,ko01100,ko01110 11.4109
Risedronic acid 5245 -- 4.3164
Ronidazole 5094 -- 5.4738
Roxarsone 5104 ko00940,ko01110 1.0823
Rufloxacin 58258 -- 7.4989
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol 12986439 -- 5.955
(S)-(+)-2-Hydroxy-3-methylbutyric acid 853180 -- 0.7308
(S)-3-(2-Methylphenoxy)propane-1,2-diol 4059 -- 5.0295
Safinamide 131682 -- 0.7152
Salicyluric acid 10253 ko00901,ko01063 4.1586
Sanguinarine 5154 -- 10.5543
SB 221284 443389 -- 7.3282
Schisandrin 23915 -- 8.024
Sebacic acid 5192 -- 12.4826
Secoisolariciresinol 65373 -- 9.8936
Selfotel 68736 -- 5.1062
Se-methylselenocysteine 147004 -- 1.4701
Ser-Asn-Thr-Arg ko00944 4.3469
Ser-Asp-Asn 145457688 -- 4.3622
Ser-Ile-Asn-Lys -- 7.2669
Ser-Ile-Lys-Gly-Lys -- 9.049
Ser-Nap-OH -- 6.9499
Ser-Ser-Val-Gln-Glu -- 9.6466
Sesamol 68289 -- 0.8075
S-Lactoylglutathione 119450 -- 0.6547
(S)-Mephenytoin 107921 -- 5.5873
(S)-Methylmalonic acid semialdehyde 5462303 ko00280,ko00633,ko00640,ko01100,ko01120 1.4701
Smilagenin 91439 -- 7.8048
(S)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine 11256587 ko00999,ko01100,ko01110 3.6314
Sodium (2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl phosphate 22812950 ko00450,ko01100 0.5913
Sorbitan, monohexadecanoate 14927 -- 10.362
Soyasapogenol B 115012 -- 8.2645
Soyasapogenol B 24-O-b-D-glucoside 14021514 -- 9.1838
Spheroidenone 5366412 -- 6.735
Sphinganine 91486 -- 6.72
Sphingosine 1-phosphate 5283560 -- 3.0674
s-(p-Nitrobenzyl)glutathione 97538 -- 0.6537
Sporidesmolide 1 91617625 -- 10.8287
Stachyose 439531 -- 0.6547
Stearic acid 5281 -- 9.4798
Stearidonic acid 5312508 -- 6.735
Stearoylcarnitine 52922056 ko05208 8.1114
Stigmasta-4,22-dien-3-one 6442194 -- 11.4029
Stigmastane-3,6-dione 543599 -- 10.7229
Styrene 7501 -- 6.9499
Sucrose 5988 ko00120,ko01100 0.9429
Sulfanilamide 5333 ko00270,ko00470,ko00966,ko00970,ko00999,ko01060,ko01070,ko01100,ko01110,ko01210,ko01230,ko01240,ko01523,ko04974,ko04978,ko05230 0.6547
Sulfite 1099 -- 1.0541
(S)-Ureidoglycolic acid 439269 -- 0.5325
Tacalcitol 5283734 -- 10.6731
Taurolithocholic acid 439763 -- 7.8682
Tebuconazole 86102 ko00240,ko00410,ko00640,ko00770,ko01100,ko01110,ko01240,ko04080,ko04974 7.8201
Tebutam 92299 -- 4.9844
Tenovin-6 24772043 -- 4.3469
Tert-butyl 3-(iodomethyl)azetidine-1-carboxylate 53249943 -- 2.9831
tert-Butylamine 6385 -- 12.4301
Tetradecanal 31291 -- 5.9398
Tetradecanol 8209 -- 5.9098
Tetraethyl pyrophosphate 7873 ko00625,ko00982,ko01100,ko01120,ko05204 6.6085
tetrahydrozoline 5419 ko00621,ko01120,ko01220 9.3677
TG(16:0/16:0/18:2(9Z,12Z)) 25240356 ko00061,ko01040,ko01060,ko01100,ko04745 12.0357
TG(16:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 9544151 -- 11.083
Thiazolidine-4-carboxylic acid 9934 -- 4.2397
Thidiazuron 40087 -- 0.6547
Thiirane 9865 -- 0.5325
Thioctic acid 864 -- 5.4738
Thioetheramide PC 10259407 -- 9.1258
Thionicotinamide 737155 -- 0.8075
Thioridazine 5452 ko00290,ko00660,ko01100,ko01210 11.3176
Thiosulfate -- 1.2446
Thiothece-474 23724693 -- 10.2241
Thiourea 2723790 ko00627,ko01120 1.2192
Thiram 5455 -- 0.5179
Thr-Leu-Lys 145458118 -- 9.2482
Thr-Pro-Pro-Val-Gln -- 6.9507
Thr-Trp-Met 145458226 -- 8.0348
Ticlopidine 5472 -- 6.6085
Torachrysone 8-O-Glucoside 11972479 ko00140,ko01100,ko04925 5.2396
trans-Anol 5474441 -- 5.335
trans-Coumaryl acetate 14320459 -- 5.6728
trans-p-Menthane-1,8-diol 6651 ko00220,ko00230,ko00240,ko00250,ko00470,ko00630,ko00750,ko00910,ko00970,ko01060,ko01100,ko01120,ko01230,ko01232,ko01240,ko02010,ko02020,ko04724,ko04727,ko04964,ko04974,ko04978,ko05230 8.2796
Treosulphan 9882105 ko00999,ko01110 1.7569
Triacetin 5541 -- 5.0602
Tribenuron-methyl 153909 -- 0.4733
Tricosane 12534 -- 11.4685
Triethylene glycol monomethyl ether 8178 -- 8.2645
Triethylenetetramine 5565 -- 7.5602
Trifluoperazine 5566 -- 0.4888
Trilinolein 5322095 -- 12.4604
Trimethylamine N-oxide 1145 -- 0.6547
TRIPHENYL PHOSPHATE 8289 ko00561,ko01100,ko04714,ko04923,ko04931,ko04975,ko04977,ko04979,ko05417 8.7424
Troglitazone 5591 -- 5.5962
Trp-Ala-Arg 10151236 -- 6.9499
Trp-Ala-Tyr 145458269 ko00561,ko01100,ko04714,ko04923,ko04931,ko04975,ko04977,ko04979,ko05417 7.6542
Trp-Gln-Leu 11976253 -- 6.9499
Trp-His-Tyr 145458394 -- 9.4251
Trp-Met-Glu 145458444 -- 6.7275
Trp-Tyr-His 145458525 -- 11.1139
Trp-Val-Arg 11963125 -- 8.0348
Tuberostemonine 100781 -- 3.9658
Tumonoic acid A 10854587 -- 6.8273
Turanose 5460935 -- 0.6547
Tyr-Glu-Arg-Arg -- 11.0675
Tyr-His-Ile-Glu -- 8.2796
TyrMe-Lys-OH -- 9.5713
Tyr-Phe-Thr-Lys -- 10.2854
Tyr-Pro-Glu 101118237 -- 6.7349
Tyr-Pro-Trp 11754180 -- 0.6547
Tyr-Ser-Arg 145458751 -- 10.2547
Tyr-Trp-Cys 71471845 -- 4.3316
Ulifloxacin 124225 -- 4.2857
Umbelliferone 5281426 ko00999,ko01061,ko01110 0.8677
Uric acid 1175 ko00230,ko00232,ko01060,ko01065,ko01100,ko01110,ko01120,ko01232 9.5713
Uridine-5'-diphosphate 6031 ko00230,ko01100,ko01232,ko02010,ko04022,ko04024,ko04071,ko04080,ko04270,ko04923,ko04924,ko05012,ko05032,ko05034 0.5912
Val-Arg-Ala-Glu -- 7.6522
Val-Ile-Leu-Asp -- 3.3802
Val-Leu-Leu-Val-Val -- 10.4775
Val-Pro-Glu-Pro-Lys -- 7.6673
Valproic acid 3121 ko00982,ko04976 8.1507
Val-Tyr-Gln-His-Val -- 10.4775
Val-Tyr-Gln-Lys -- 8.3246
Verimol B 45360335 -- 8.8957
Vinclozolin M2 115209 -- 0.761
Vitamin K 5280483 -- 10.316
Vorinostat 5311 -- 0.4888
Xanthine 1188 -- 1.056
Zerumbone 5470187 ko00052,ko01100 7.4835
(Z)-hexadec-2-enoic acid 5312417 -- 5.8948
Zoledronic acid 68740 -- 4.301
METABOLITES_END
#END