#METABOLOMICS WORKBENCH Gustavo_Palacios_20250908_095051 DATATRACK_ID:6395 STUDY_ID:ST004190 ANALYSIS_ID:AN006961 PROJECT_ID:PR002642 VERSION 1 CREATED_ON September 16, 2025, 11:03 am #PROJECT PR:PROJECT_TITLE Comparative Analysis of the Metabolic Profiles of Alix−/− and Ozz−/− PR:PROJECT_TITLE Soleus Skeletal Muscle PR:PROJECT_TYPE Metabolomics PR:PROJECT_SUMMARY Skeletal muscle relies on mitochondrial proteostasis for energy production, PR:PROJECT_SUMMARY which is maintained by two key quality-control systems: the ubiquitin-proteasome PR:PROJECT_SUMMARY system (UPS) and mitochondria-derived vesicles. This study reveals that the E3 PR:PROJECT_SUMMARY ligase complex CRL5Ozz and its substrate Alix both localize to mitochondria and PR:PROJECT_SUMMARY cooperate to regulate the mitochondrial ATP transporter Slc25A4. CRL5Ozz targets PR:PROJECT_SUMMARY Slc25A4 for proteasomal degradation, while Alix promotes Slc25A4 loading into PR:PROJECT_SUMMARY exosomes for lysosomal degradation. Loss of Ozz or Alix in mice disrupts Slc25A4 PR:PROJECT_SUMMARY levels, causing mitochondrial dysfunction, altered metabolism, and a shift in PR:PROJECT_SUMMARY muscle fiber type from oxidative to glycolytic. This work uncovers a coordinated PR:PROJECT_SUMMARY role of UPS and vesicle-mediated degradation in mitochondrial quality control. PR:PROJECT_SUMMARY The goal of the study is to assess whether mitochondrial abnormalities observed PR:PROJECT_SUMMARY in Alix−/− and Ozz−/− skeletal muscle are associated with impaired PR:PROJECT_SUMMARY mitochondrial metabolism. Methods: Soleus muscles from 8-week-old mice were PR:PROJECT_SUMMARY collected, rinsed briefly in ice-cold saline, patted dry, flash-frozen in liquid PR:PROJECT_SUMMARY nitrogen, and stored at −80 °C. To extract both hydrophilic metabolites and PR:PROJECT_SUMMARY lipids, an adapted three-phase solvent system (chloroform/methanol/water, 3:4:1, PR:PROJECT_SUMMARY v/v/v) was used. Tissues were weighed and homogenized with zirconia beads using PR:PROJECT_SUMMARY a Bead Ruptor Elite, followed by the addition of ice-cold saline and further PR:PROJECT_SUMMARY mixing. After resting at 4 °C, samples were centrifuged at 21,000 ×g for PR:PROJECT_SUMMARY 10 min. The aqueous phase was collected, frozen on dry ice, lyophilized, PR:PROJECT_SUMMARY reconstituted in water/acetonitrile/formic acid (95:5:0.1, v/v/v), and analyzed PR:PROJECT_SUMMARY by LC-MS. The organic phase was dried under nitrogen, reconstituted in PR:PROJECT_SUMMARY chloroform/methanol (2:1, v/v), and analyzed by LC-MS. Results: High-throughput PR:PROJECT_SUMMARY metabolomic analyses revealed approximately 87 significantly altered metabolites PR:PROJECT_SUMMARY in Alix−/− and ccOzz−/− soleus muscles compared to WT controls. Heat PR:PROJECT_SUMMARY maps generated using MetaboAnalyst 4.0 demonstrated distinct metabolic profiles PR:PROJECT_SUMMARY among the three genotypes. Interestingly, several metabolites—including ADP, PR:PROJECT_SUMMARY citrate, Citrulline, CoA, FAD, L-Acetylcarnitine, carnitine, oxoglutarate, and PR:PROJECT_SUMMARY PEP, are regulated by the mitochondrial SLC25 solute carrier family. Pathway PR:PROJECT_SUMMARY analysis further linked these metabolites to key metabolic pathways, including PR:PROJECT_SUMMARY glycolysis, pyrimidine metabolism, the citric acid cycle, and others. Important, PR:PROJECT_SUMMARY glycolysis was upregulated in Ozz−/− muscle relative to Alix−/− and WT, PR:PROJECT_SUMMARY highlighting genotype-specific shifts in mitochondrial metabolism. PR:INSTITUTE St Jude Children's Research Hospital PR:DEPARTMENT Genetics PR:LABORATORY Alessandra d'Azzo Lab PR:LAST_NAME Palacios PR:FIRST_NAME Gustavo PR:ADDRESS 262 Danny Thomas Place, Memphis, TN 38105. PR:EMAIL Gustavo.Palacios@stjude.org PR:PHONE 901-595-4448 PR:FUNDING_SOURCE NIH, the Assisi Foundation of Memphis and the American Lebanese Syrian PR:FUNDING_SOURCE Associated Charities (ALSAC) PR:CONTRIBUTORS Yvan Campos, Gustavo Palacios, Elida Gomero, Diantha Van de Vlekkert, Krishnan PR:CONTRIBUTORS Venkataraman, Jaison John, Jayce Weesner, Randall Wakefield, Xiaohui Qiu, PR:CONTRIBUTORS Ricardo Rodriguez-Erniquez, Stephanie Rockfield, Jeroen Demmers, Joseph PR:CONTRIBUTORS Opferman, Cam Robinson, Khaled Khairy, Tulio Bertorini, Gerard Grosveld, PR:CONTRIBUTORS Alessandra d'Azzo* #STUDY ST:STUDY_TITLE Comparative Analysis of the Metabolic Profiles of Alix−/− and Ozz−/− ST:STUDY_TITLE Soleus Skeletal Muscle ST:STUDY_TYPE Metabolomics ST:STUDY_SUMMARY Skeletal muscle relies on mitochondrial proteostasis for energy production, ST:STUDY_SUMMARY which is maintained by two key quality-control systems: the ubiquitin-proteasome ST:STUDY_SUMMARY system (UPS) and mitochondria-derived vesicles. This study reveals that the E3 ST:STUDY_SUMMARY ligase complex CRL5Ozz and its substrate Alix both localize to mitochondria and ST:STUDY_SUMMARY cooperate to regulate the mitochondrial ATP transporter Slc25A4. CRL5Ozz targets ST:STUDY_SUMMARY Slc25A4 for proteasomal degradation, while Alix promotes Slc25A4 loading into ST:STUDY_SUMMARY exosomes for lysosomal degradation. Loss of Ozz or Alix in mice disrupts Slc25A4 ST:STUDY_SUMMARY levels, causing mitochondrial dysfunction, altered metabolism, and a shift in ST:STUDY_SUMMARY muscle fiber type from oxidative to glycolytic. This work uncovers a coordinated ST:STUDY_SUMMARY role of UPS and vesicle-mediated degradation in mitochondrial quality control. ST:INSTITUTE St Jude Children's Research Hospital ST:DEPARTMENT Genetics ST:LABORATORY Alessandra d'Azzo Lab ST:LAST_NAME Palacios ST:FIRST_NAME Gustavo ST:ADDRESS 262 Danny Thomas Place, Memphis, TN 38105. ST:EMAIL Gustavo.Palacios@stjude.org ST:PHONE 901-595-4448 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 14 ST:NUM_MALES 6 ST:NUM_FEMALES 8 ST:STUDY_COMMENTS We did not observe any differences in the results due to the animal's gender #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:AGE_OR_AGE_RANGE 8 weeks SU:WEIGHT_OR_WEIGHT_RANGE 20-24 grams SU:GENDER Male and female SU:ANIMAL_ANIMAL_SUPPLIER Jackson Labs SU:ANIMAL_HOUSING 4-5 individual per cage SU:ANIMAL_LIGHT_CYCLE 12 h day-time, 12-5 Night-time SU:ANIMAL_FEED ad libitum SU:ANIMAL_WATER ad libitum SU:ANIMAL_INCLUSION_CRITERIA homozygous WT or homozygous for the gene deletion Alix or Ozz SU:SPECIES_GROUP WT, Alix, Ozz #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - Alix_R1_Neg Genotype:Alix-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_01_Neg SUBJECT_SAMPLE_FACTORS - Alix_R1_Pos Genotype:Alix-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_01_Pos SUBJECT_SAMPLE_FACTORS - Alix_R2_Neg Genotype:Alix-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_02_Neg SUBJECT_SAMPLE_FACTORS - Alix_R2_Pos Genotype:Alix-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_02_Pos SUBJECT_SAMPLE_FACTORS - Alix_R3_Neg Genotype:Alix-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_03_Neg SUBJECT_SAMPLE_FACTORS - Alix_R3_Pos Genotype:Alix-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_03_Pos SUBJECT_SAMPLE_FACTORS - Alix_R4_Neg Genotype:Alix-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_04_Neg SUBJECT_SAMPLE_FACTORS - Alix_R4_Pos Genotype:Alix-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_04_Pos SUBJECT_SAMPLE_FACTORS - Ozz_R1_Neg Genotype:Ozz-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_11_Neg SUBJECT_SAMPLE_FACTORS - Ozz_R1_Pos Genotype:Ozz-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_11_Pos SUBJECT_SAMPLE_FACTORS - Ozz_R2_Neg Genotype:Ozz-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_12_Neg SUBJECT_SAMPLE_FACTORS - Ozz_R2_Pos Genotype:Ozz-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_12_Pos SUBJECT_SAMPLE_FACTORS - Ozz_R3_Neg Genotype:Ozz-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_13_Neg SUBJECT_SAMPLE_FACTORS - Ozz_R3_Pos Genotype:Ozz-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_13_Pos SUBJECT_SAMPLE_FACTORS - Ozz_R4_Neg Genotype:Ozz-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_14_Neg SUBJECT_SAMPLE_FACTORS - Ozz_R4_Pos Genotype:Ozz-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_14_Pos SUBJECT_SAMPLE_FACTORS - Ozz_R5_Neg Genotype:Ozz-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_15_Neg SUBJECT_SAMPLE_FACTORS - Ozz_R5_Pos Genotype:Ozz-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_15_Pos SUBJECT_SAMPLE_FACTORS - Ozz_R6_Neg Genotype:Ozz-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_16_Neg SUBJECT_SAMPLE_FACTORS - Ozz_R6_Pos Genotype:Ozz-KO | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_16_Pos SUBJECT_SAMPLE_FACTORS - WT_R1_Neg Genotype:WT | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_17_Neg SUBJECT_SAMPLE_FACTORS - WT_R1_Pos Genotype:WT | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_17_Pos SUBJECT_SAMPLE_FACTORS - WT_R2_Neg Genotype:WT | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_18_Neg SUBJECT_SAMPLE_FACTORS - WT_R2_Pos Genotype:WT | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_18_Pos SUBJECT_SAMPLE_FACTORS - WT_R3_Neg Genotype:WT | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_19_Neg SUBJECT_SAMPLE_FACTORS - WT_R3_Pos Genotype:WT | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_19_Pos SUBJECT_SAMPLE_FACTORS - WT_R4_Neg Genotype:WT | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_20_Neg SUBJECT_SAMPLE_FACTORS - WT_R4_Pos Genotype:WT | Sample source:Soleus RAW_FILE_NAME(RAW file name)=YC_04032020_Metabo_20_Pos #COLLECTION CO:COLLECTION_SUMMARY Soleus muscles from 8-week-old mice were collected, rinsed briefly in ice-cold CO:COLLECTION_SUMMARY saline, patted dry, flash-frozen in liquid nitrogen, and stored at −80 °C. CO:COLLECTION_PROTOCOL_FILENAME Protocol_of_Untargeted_Metabolomics_04032020.pdf CO:COLLECTION_PROTOCOL_COMMENTS The PDF file contains he description of the samples processing procedure, as CO:COLLECTION_PROTOCOL_COMMENTS well as details of the LC & MS conditions CO:SAMPLE_TYPE Muscle CO:STORAGE_CONDITIONS -80℃ CO:ADDITIVES None, flash frozen in liquid nitrogen #TREATMENT TR:TREATMENT_SUMMARY The performed metabolomics work does not contain treatment conditions managed by TR:TREATMENT_SUMMARY the investigators. The compared conditions were determined by the genotypes of TR:TREATMENT_SUMMARY the animals evaluated in this study. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY To extract both hydrophilic metabolites and lipids, an adapted three-phase SP:SAMPLEPREP_SUMMARY solvent system (chloroform/methanol/water, 3:4:1, v/v/v) was used. Tissues were SP:SAMPLEPREP_SUMMARY weighed and homogenized with zirconia beads using a Bead Ruptor Elite, followed SP:SAMPLEPREP_SUMMARY by the addition of ice-cold saline and further mixing. After resting at 4 °C, SP:SAMPLEPREP_SUMMARY samples were centrifuged at 21,000 ×g for 10 min. The aqueous phase was SP:SAMPLEPREP_SUMMARY collected, frozen on dry ice, lyophilized, reconstituted in SP:SAMPLEPREP_SUMMARY water/acetonitrile/formic acid (95:5:0.1, v/v/v), and analyzed by LC-MS. The SP:SAMPLEPREP_SUMMARY organic phase was dried under nitrogen, reconstituted in chloroform/methanol SP:SAMPLEPREP_SUMMARY (2:1, v/v), and analyzed by LC-MS. SP:SAMPLEPREP_PROTOCOL_FILENAME Protocol_of_Untargeted_Metabolomics 04032020.pdf SP:SAMPLEPREP_PROTOCOL_COMMENTS The uploaded file contain details about the samples collection and processing SP:SAMPLEPREP_PROTOCOL_COMMENTS for metabolomics analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Negative ion mode LC/MS conditions CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters ACQUITY UPLC BEH Amide (150 x 1 mm, 1.7 um) CH:SOLVENT_A 100% Water; 10mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 100% Acetonitrile; 0.1% formic acid CH:FLOW_GRADIENT Time(min), %B: 0.0, 1; 16.5, 50; 18.0, 99; 36.0, 99; 39.0, 1; 45.0, 1 CH:FLOW_RATE 50 µL/min CH:COLUMN_TEMPERATURE 40 °C CH:METHODS_FILENAME Protocol_of_Untargeted_Metabolomics_04032020.pdf #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Immuno-Metabolomics Core AN:OPERATOR_NAME Gustavo Palacios AN:DETECTOR_TYPE MS AN:SOFTWARE_VERSION Xcalibur 2.8 SP1 #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS For every sample, one injection for the LC/MS in a Neg mode was performed, and MS:MS_COMMENTS then a second injection and a separated LC/MS in Pos mode was run. MS:CAPILLARY_TEMPERATURE 320 MS:CAPILLARY_VOLTAGE -2500 MS:COLLISION_ENERGY 35 MS:DRY_GAS_FLOW 5 MS:DRY_GAS_TEMP 320 MS:FRAGMENTATION_METHOD HCD #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples Alix_R1_Neg Alix_R2_Neg Alix_R3_Neg Alix_R4_Neg Ozz_R1_Neg Ozz_R2_Neg Ozz_R3_Neg Ozz_R4_Neg Ozz_R5_Neg Ozz_R6_Neg WT_R1_Neg WT_R2_Neg WT_R3_Neg WT_R4_Neg Factors Genotype:Alix-KO | Sample source:Soleus Genotype:Alix-KO | Sample source:Soleus Genotype:Alix-KO | Sample source:Soleus Genotype:Alix-KO | Sample source:Soleus Genotype:Ozz-KO | Sample source:Soleus Genotype:Ozz-KO | Sample source:Soleus Genotype:Ozz-KO | Sample source:Soleus Genotype:Ozz-KO | Sample source:Soleus Genotype:Ozz-KO | Sample source:Soleus Genotype:Ozz-KO | Sample source:Soleus Genotype:WT | Sample source:Soleus Genotype:WT | Sample source:Soleus Genotype:WT | Sample source:Soleus Genotype:WT | Sample source:Soleus (-)-trans-Carveol glucoside 468412.8535 323055.9731 307518.6064 270254.3065 589888.4012 285709.2091 77221.03692 171825.685 283860.9178 165157.6096 170802.6491 168602.2244 133941.5845 144138.4707 (+)-Aspidospermidine 416516.5608 133601.6771 521514.921 614582.8949 35343.1329 33784.99888 34968.89983 34547.8586 33939.34147 33461.41367 33087.16465 33486.02127 34740.46081 33190.09238 (+)-Taxifolin 61468560.21 9720486.493 30556485.28 12421864.13 183160755.7 149564896.9 162977340.1 2128761.797 24515389.92 14272771.84 394270635.2 8975745.276 1677080.373 3081606.198 (1E)-1-Phenyltriaz-1-ene 1381392.556 1420316.788 1298180.851 1525659.476 1566181.489 1410267.04 1192158.989 1409411.329 1499680.446 1525323.107 1273608.661 2097293.154 1444935.783 1280619.737 (1R)-1-Amino-2-sulfanylethanesulfinic acid 1271822.592 2637639.362 1204045.273 7720192.621 4817424.452 2429715.15 1704557.492 1315426.113 3331055.453 4170627.962 2102349.381 2403595.71 8658263.789 1172729.858 (1R,2R)-4,6-Dichloro-3-methyl-3,5-cyclohexadiene-1,2-diol 141321.7032 127972.1073 160363.4734 173556.0833 616434.0173 396262.7418 77772.23408 173183.9824 128952.6679 178685.0891 212382.4743 249540.3665 249386.7229 204867.6612 (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid 30035712.64 14259622.44 40608403.99 44085374.43 74405777.11 50781459.94 59793318.47 65104331.26 67533985.97 59959033.62 63119109.14 65246145.27 28156287.32 48002318.64 (1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol 8196020.403 1230520.899 1384863.265 1137776.775 3419053.985 2422101.729 2523245.62 1930439.347 2697976.985 14840823.12 1908172.67 18220753 7157304.231 1815408.667 (1Z)-2-Amino-4-methyl-N-(1-phosphonovinyl)pentanimidic acid 484728.9013 349739.3252 274480.4327 347391.5082 389651.085 346742.6109 476128.3484 457862.6208 424539.6469 393628.2367 417076.8033 410329.7211 432950.6362 323662.8993 (2,4‐dihydroxyphenyl)oxidanesulfonic acid 375865.6055 331013.84 500009.6018 455850.5794 43156662.28 32288068.87 14631094.81 23308432.59 43378391.13 41901052.57 19417372.27 14209606.04 16403397.42 10571622.54 (2,5)-Decadienoyl-CoA 81777.05134 76373.47855 105958.0928 88370.57688 85028.45526 92398.25041 79274.67455 88513.77028 91360.34568 84032.03147 78724.15729 88249.00778 72704.69367 66940.6253 (2E)-3-[3-(sulfooxy)phenyl]prop-2-enoic acid 449372.4115 442745.9398 458694.2687 455390.688 1298604.79 2966739.141 2618376.035 2749003.981 4253617.031 3491212.208 3770164.066 3130266.06 12039235.77 7798877.393 (2E,4E)-3,8,8-Trichloro-7-(4-chlorophenyl)-2-hydroxy-6-oxo-2,4,7-octatrienoic acid 1075554.974 1420810.414 1706565.813 2457355.51 2039867.583 1245542.817 1832737.357 2046695.446 2636317.486 1715317.41 2664692.426 1301728.014 1387653.676 2305538.598 (2E,4Z)-hexadeca-2,4-dienedioyl-CoA 4452750.124 1697332.764 5469163.187 2509323.706 4140905.661 2795568.048 1991635.057 2547954.321 3633551.966 2850361.375 4556296.723 622239.0755 2398871.151 2379856.447 (2R)-2-(Diiodoamino)-3-[4-(4-hydroxyphenoxy)phenyl]-2-iodopropanoic acid 792191.5839 326664.0405 1419187.981 901560.7134 886752.0571 328621.8024 1122687.344 1328067.1 1937425.197 1461872.049 266298.7813 606112.2948 279309.0371 314263.4236 (2R)-2-Hydroxy-2-phenylethyl glucosinolate 2122639.457 3094681.774 2158328.979 2248717.387 1229410.417 1706163.898 1141854.376 1790966.703 1844527.949 1643242.156 1457789.007 780900.9454 2752362.345 2481358.509 (2R,3R)-2,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]butanedioic acid 95330331.46 79648335.41 96030050.3 90215696.59 90485455.34 89636688.19 52129428.71 72162092.37 77644314.73 63407652.64 107667401.7 120992453.8 65043252.52 63272807.63 (2R,3S)-2-methylisocitrate 278838.3657 244256.4776 334917.1448 307712.4324 348498.8886 301185.9758 288473.4242 280541.243 328951.2111 317289.5298 423283.5163 497749.6667 389892.7245 268019.1971 (2R,3S)-4-(TERT-BUTYLDIMETHYLSILYLOXY)BUTAN-1,2,3-TRIOL 1,3-ISOPROPYLIDENE ACETAL 20571.01663 19232.42517 19436.30703 19113.07247 31560.66904 34251.92108 27737.10469 25235.57501 30421.62888 23062.49405 23566.68371 30328.04656 25885.77435 25166.64804 (2S)-2-[(2-Carboxy-2-oxoethyl)amino]pentanedioic acid 509421.2602 362008.8125 726291.6029 570412.0353 473755.6031 381172.0827 370185.65 371529.662 437563.9225 402665.1196 544400.6548 595911.8416 435147.0414 482863.3783 (2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate 794562.0069 327459.5396 1618992.05 1304945.394 910800.2158 468258.1704 1850885.119 519683.3522 615348.0599 488537.4082 1125206.899 2083738.836 280502.4957 324378.5147 (2S)-7-Chloro-4-hydroxy-2',6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-3,4'-dione 8525970.108 25262356.37 18468220.94 12838525.7 47336864.56 54472685.02 42255444.02 49572864.22 54474806.77 35167654.4 35350454.31 52312694.66 42026060.65 53581780.49 (2S,3R)-2-(4-{2-[(3S,4S)-3,4-Dimethylpyrrolidin-1-YL]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-OL 2195121.547 2263219.463 2782003.318 5351827.145 4168059.593 6130788.804 4765414.428 4088757.04 6799558.894 4337286.284 9758083.934 3625747.844 8321768.322 7627115.643 (2Z)-2-(3-Phenylpropoxyimino)butanoic acid 16899074.2 9972432.614 23648493.26 15089580.89 17041728.26 10954388.01 14654032.89 9167827.353 16173629.81 15188407.32 13716383.1 16106729.49 7310546.883 9494265.041 (2Z,4Z)-2-Hydroxyhexa-2,4-dienoate 389281.2994 1293968.595 1246563.316 1033380.641 252314.0951 401533.6474 182660.9743 165144.7465 131156.8729 162901.3159 218979.8549 222828.8981 245740.217 310360.5425 (3-Nitrobenzoyl)alanine 2224272.55 10929459.5 2712365.723 19244766.67 566701.1586 565473.0189 562436.8773 577255.7666 533910.9261 525867.0622 558823.285 582211.7152 457877.4711 487580.4733 (3s)-3-(Benzyloxy)-L-Aspartic Acid 112355.1828 2105272.337 293918.8672 1932589.704 2738736.28 1998031.177 3586479.554 2847273.714 3206419.174 75746.73147 3924004.752 4509358.668 1737750.809 2392237.138 (4-{2-[(4-Carbamimidoyl-benzoyl)-methyl-amino]-acetyl}-2-carboxymethoxy-phenoxy)-acetic acid 689051.2309 315527.334 724151.7671 416647.4582 177685.9914 160425.3589 171642.5191 134534.6154 168463.9951 163473.0591 338649.6879 135447.3172 138974.0447 146947.9282 (4-Hydroxy-3-iodo-5-nitrophenyl)acetic acid 1324228.688 2424487.616 1500645.06 1909402.057 1834963.23 3087384.07 2154141.328 2403371.908 3259308.017 2634289.833 2263488.086 640024.9374 4052465.584 3400841.186 (4S,18S)-4,7-Dimethyl-18-[2-(methylsulfanyl)ethyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione 848180.4276 512682.5378 600713.7804 796896.7275 505307.1821 523785.1733 601827.5491 553806.0371 559278.3574 490629.6725 585454.05 554708.7169 512678.8952 513583.629 (4S,5S)-2-(BROMOMETHYL)-4,5-BIS(METHOXYMETHYL)-1,3-DIOXOLANE 35530330.76 48972465.12 62075605.33 50372285.19 62714503.92 67280229.99 53831453.05 90224153.52 80213418.42 78561336.65 69083366.06 66578896.69 73070696.76 89661600.37 (4Z,7Z,10Z,13Z)-15-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-4,7,10,13-tetraenoyl-CoA 23926550.69 16269238.5 16795723.27 6623562.324 28334375.54 10656995.81 8694572.357 20143215.53 9747870.925 19916170.85 6951701.262 8299834.827 7823149.999 11125610.84 (5E)-7-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]hept-5-enoyl-CoA 2349897.467 2842996.238 2508908.499 2738900.841 2589438.158 3373789.171 2723012.809 3634497 4350790.647 2950425.094 3521490.575 743585.6572 5250427.754 5043152.237 (5Z)-5-({(1Z,2R)-3-Disulfanyl-1-hydroxy-1-[(2-hydroxy-2-iminoethyl)imino]-2-propanyl}imino)-5-hydroxy-L-norvaline 1277891.715 1029162.426 849775.1309 769478.4152 296565.8471 581085.5585 275140.2981 213180.95 289313.9222 251207.4442 346535.3088 483367.7334 226533.4028 225152.5057 (5Z,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoyl-CoA 6339932.881 4386276.175 7809809.715 6772291.781 6403590.393 4770974.4 6748183.86 4504694.459 6679151.793 5050270.636 7419705.618 859084.8135 3558801.588 4167875.113 (7Z,10Z,13E)-Tricosa-7,10,13-trienoyl-CoA 5997416.736 3969711.541 7132521.91 5672560.216 2382966.487 3822893.879 5258734.784 4163469.389 5882326.244 4287628.198 5210775.788 937270.2027 2989270.617 4015927.717 (9S_10S)-9_10-Dihydroxyoctadecanoate 582740.1917 278577.3597 1215927.397 774193.6094 3304403.848 1816735.353 565566.0892 311624.2117 1264092.607 304722.3153 1367678.858 4001321.417 1372098.326 610171.8798 (9Z)-Tetradecenoicacid 3331924.703 1618570.485 3521489.833 3106934.097 4838216.708 4502471.437 3793483.689 3442363.283 4323759.197 3520604.285 3997153.549 4235434.481 3680051.409 2943303.156 (ALPHA,ALPHA,ALPHA-TRIFLUORO-PARA-TOLYL)ACETIC ACID 1089815.747 928852.1244 697790.6969 1411648.084 755227.5063 1037305.981 987605.9002 762590.6366 870288.4498 1842074.634 422824.6226 805624.5064 298163.4969 466269.965 (E)-1-TRIMETHYLGERMYL-2-TRIMETHYLSILYLETHYLENE 9355658.224 4672236.787 13172619.89 9523505.651 5535231.753 2696421.386 6958018.834 2767081.076 2545317.929 3332154.272 2943089.195 6374740.988 582214.7666 1315806.941 (E)-3-(2-(1H-Tetrazol-5-YL)vinyl)-6-fluoro-1H-indole 3323075.075 3109424.843 5608199.182 2226604.501 3236253.302 3227171.946 3272682.677 1605599.31 3031378.488 3584335.364 3014318.479 1273432.021 368815.6256 1487753.858 (E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid 285782.0378 225476.714 396397.0441 374453.4607 352186.7755 339375.6395 343640.5964 227141.2342 552087.3861 488086.9567 338675.4771 1825624.575 239838.2037 968170.8223 (G)(NAM)-AemG 3787756.904 3019934.293 4236156.111 3584629.277 6597859.679 11530399.86 5671759.696 4669854.858 12848670.46 12178508.09 1037201.539 22837736.38 3412378.454 7331294.001 (Methylsulfinyl)heptyl glucosinolate 1997507.092 479472.5848 1089530.944 922264.8475 317460.941 265585.7544 257930.839 233374.9995 287270.6398 260930.2472 375439.219 410462.3836 280556.3666 285823.7545 (Methylthio)pyrazine 5344160.146 3978625.763 10000676.7 7437658.766 338891.5391 711588.5791 323827.7209 3693597.814 3585503.837 318011.6615 6074621.296 4565785.608 2596094.641 2479253.072 (R)-10-Hydroxystearate 18250399.41 9368847.993 15261025.75 19336161.24 21174194.08 13693835.48 13523045.57 16659761.89 27685943.13 19696830.35 26481782.78 27948412.26 16998733.24 14775823.56 (R)-2,3-Dihydroxy-3-methylpentanoate 3482965.701 647509.6155 2045536.646 937778.2145 4753703.42 843433.5774 363471.4208 1328769.837 3932855.134 1107690.699 5430375.499 832086.3302 681410.2887 464284.7091 (R)-Mevalonate 7262684.062 3936749.548 8215909.869 5921000.768 7125179.231 4444584.99 4849156.265 4551431.695 5427353.011 4360912.339 4545242.309 7305047.444 2232607.883 4876195.454 (R)-pantoate 2087177.171 3128481.299 1604433.517 1181388.216 609558.8745 506702.2636 526755.1019 452559.5315 578870.7123 503744.6907 737355.0535 766248.3558 484240.7143 547720.9599 (R)-Pantothenate 295296336.2 235662530.7 349264139.3 275371716.5 804246731.7 622716333.1 732467324.9 501840845.3 369896954.5 385280409.6 649770316 582539588.9 147736136.3 173952492.8 (R)-S-Lactoylglutathione 1292768.027 961169.8052 5286149.15 3929417.113 2002591.115 1221401.309 948285.4436 1000708.528 1195179.995 1188267.899 1533801.825 1631644.824 1306833.607 1353912.096 (S)-(+)-Allantoin 460766044 285710895.1 735492041.5 547815282.9 645157731.9 470809176.1 392749332.1 267115359.2 460481131.6 443564945.5 462855622.1 481960538.3 261968628.6 277783199.2 (S)-1-Pyrroline-5-carboxylate 1378641.297 1438228.635 1493494.794 1391031.736 1539787.962 794989.0155 1246799.295 2117496.97 937399.8868 2189437.483 2227357.918 1360298.176 1241753.975 1131348.681 (S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate 69256.05432 66149.17547 65435.84887 67105.33638 106254.7102 115315.2977 95629.70454 88664.15509 103689.4736 80659.70827 79341.51027 102104.8633 87149.14906 86610.6289 (S)-3-Methyl-2-oxopentanoate 17637676.25 8829144.037 19965639.32 29226982.21 35076653.31 23826588.99 83266444.34 23791817.89 29423930.8 23281881.65 31026921.57 90607151.6 13011104.71 12493625.77 (S)-4-Amino-5-oxopentanoate 2274545.568 1899802.199 2218547.287 2337689.304 4005108.808 2594016.559 1961495.25 1453378.724 3707169.111 3886137.627 2362728.278 2484065.543 2050817.998 2178038.336 (S)-Citramalate 2410225.026 1251810.875 2223389.573 2004749.94 11828551.12 6224418.68 10341997.32 10936460.77 30784496.27 23213304.76 29586183.24 54383710.28 7312283.493 6848819.119 (S)-Dimethyl 2-aminopentanedioate 9243063.611 7277856.469 7579179.021 7671222.434 6687159.83 5276705.283 7072874.428 7950034.272 9986903.05 17506463.97 8024687.058 9100538.847 4364800.134 6374755.146 (S)-Hydroxyoctadecanoyl-CoA 1662651.961 1999134.184 1720954.725 2216942.743 2187675.187 2111076.265 2048275.618 2681493.406 3251478.889 2702359.338 1594242.388 691749.5718 4062751.607 4021849.535 (S)-NADPHX 53920.06739 45152.14004 147386.8194 53086.99609 334924.5963 926663.0642 365074.9641 582721.8025 453637.729 1994826.632 2055057.869 671426.9643 1115662.933 2368542.096 (S)-Spinacine 10000485.66 8717465.567 12481615.25 12401200.84 41810486.79 16973986.5 38881937.44 18216131.44 31024387.08 9264217.769 16681288.25 9575912.837 4948563.187 9359705.967 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 359577.4846 146414.3667 402370.4035 384635.9215 684968.3746 325673.4371 635287.0133 195670.6145 671823.4342 389713.0586 301853.9646 64696.00201 436615.4406 510854.9937 [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 9360756.231 3146711.59 13730488.47 8014876.775 6221524.392 2394483.703 10310128.3 5693165.111 5742813.913 4808592.921 8037152.727 9580467.247 2373764.792 3403820.376 [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 2790010.79 3920575.712 934546.3763 389704.6091 185337.9593 120787.4095 225340.625 213096.2423 163631.2146 180926.4414 41948.67365 237690.5045 156969.0348 110469.4539 [(2R,3S,4S,5R,6R)-6-[1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate 458494.1129 263760.1091 724975.2149 1326875.643 558141.2552 664616.7066 662803.2208 286844.2305 919691.239 405575.5301 694229.6777 1130547.659 923241.5162 253747.4121 [(2S,3S,4S,5S,6R)-4,5-Dihydroxy-2,6-dimethyloxan-3-yl] hydrogen sulfate 32690948.52 11460644.67 14215811.03 10226218.75 11004713.49 17881872.94 36513783.9 13713057.41 11915193.31 12299685.53 21428844.74 14262153.51 11799080.97 11767212.78 [2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl- 146371774.9 335078862.8 114988701.5 132228874.9 194087051.2 416742955 215427133.9 215162853.9 310915302.4 583456975.1 404220974.9 281841955.8 341732917.7 387772538.5 [4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-phenylmethanone 187238.5268 122453.7854 157168.8334 105963.3075 1355624.416 264998.4348 87915.09615 105700.6385 1158602.275 144620.8113 2057268.986 299384.3768 232866.2916 118124.8501 [6]-Gingerol 3115225.757 9566778.329 2902517.395 4192772.541 4246541.183 9956867.279 4294450.266 9136304.856 7744379.207 10936178.65 8378793.581 7530969.174 6451953.992 4491120.193 [FA(18:0)]12R_13S-epoxy-9Z-octadecenoicacid 2905439.148 3140592.245 2800540.325 2484304.425 3050955.393 1944956.3 2980503.294 3609102.781 3622234.423 3797341.53 2736363.354 5296707.512 5534279.149 2743453.313 [FAamino_oxo(6:0/2:0)]2-amino-3-oxo-hexanedioicacid 17904991.59 3507720.654 10654628.67 8548477.833 1116290.119 950237.1866 917686.5941 954145.2922 1082975.05 1167666.666 1200767.389 1497498.744 997938.5201 1151337.938 [Similar to: 6-Thioinosine-phosphate; ΔMass: -14.9794 Da] 18744783.61 14339458.69 12077841.05 13317596.07 13764143.33 16942191.79 13431244.68 18862946.22 16909614.93 15213535.9 15427973.74 14464919.07 23169300.76 22294082.13 [Similar to: 6-Thioinosine-phosphate; ΔMass: -14.9804 Da] 28081107.35 20888755.89 33243741.22 28232354.2 20674668.48 19504243.3 25039589.87 27535820.81 25106470.19 22948187.41 21443127.58 21892028.86 25694351.67 25284108.81 [Similar to: Creatine; ΔMass: 111.0293 Da] 74008614.21 34957382.72 117352853.2 70675180.47 98759501.87 51789173.87 92092635.95 45808200.42 62977081.98 54116523.19 73794194.86 89288978.59 29521112.77 38045529.65 [Similar to: Creatine; ΔMass: 164.0060 Da] 650693613.2 505876334.1 745963127.3 647836782.3 522624476.9 430631628.1 672703098.1 497526685.1 524080941.9 483386361.7 651411155.4 611568610.2 482072854.4 559811772.1 [Similar to: D-(-)-Glutamine; ΔMass: 112.0136 Da] 2104787.887 780188.8267 1135485.927 2168950.976 3166116.419 3138296.496 2667955.148 3107363.522 3088241.649 3135120.297 1070134.783 4619376.883 789982.4823 1585275.577 [Similar to: D-(-)-Glutamine; ΔMass: 185.9883 Da] 163720528.5 121056242.2 158454004.1 144719571.4 142920024.9 139494774.8 84944281.24 117107135.1 125689387.5 99116678.43 169093215.2 199317550.9 100648461.9 92139340.79 [Similar to: D-(-)-Glutamine; ΔMass: 246.0089 Da] 148687787.6 113862325 147370762.7 135240858.2 133492869 131464016.1 78593313.18 108183019.6 121482176.2 94931009.96 163319634.3 192578237.2 98679922.81 90103397.06 [Similar to: D-(-)-Glutamine; ΔMass: 638.0863 Da] 148687787.6 114057198 147471323.9 135976924.3 134601572.6 131581455.8 79385976.8 106705105.5 121482176.2 96415714.17 163651825.4 193975788.5 98777529.49 90143588.61 [Similar to: D-Glucosamine 6-phosphate; ΔMass: -63.0916 Da] 9656892.713 4384345.862 332232.2261 1039923.455 16630753.28 13887332.17 21181845.3 15138511.55 15055318.9 16340874.21 22408937.75 22585518.67 12320174.11 16051680.96 [Similar to: Eprosartan ; ΔMass: -179.0371 Da] 70483.25841 61822.70536 45887.40967 43615.82438 54125.1948 86464.91491 66650.95924 43074.96847 41327.53892 35924.85489 60627.93906 63615.38449 33938.25823 31372.57229 [Similar to: Indole-3-acetyl-L-aspartic acid; ΔMass: -135.0710 Da] 160327153.5 227529657 260777741.3 290141572.9 499605097.9 428881824.3 320342082.8 224703942.5 391843430.8 367569421.8 380424524 382079585.2 264047047 221808689.6 [Similar to: L-Aspartic acid; ΔMass: 82.0028 Da] 138931439.7 193819439.1 221788962.9 250553263.7 438970696.5 378715277.2 292334380.9 207896355.8 347507570.2 328263260.1 345195678 342140478.7 237238769 202369397.1 [Similar to: N-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide; ΔMass: -148.0522 Da] 161869.3244 55780.2118 87059.05915 82143.72272 173057.293 93341.64339 95958.18101 64101.78881 62524.93149 50409.39877 124755.9656 166529.0906 40577.54475 36226.54535 [Similar to: N-Acetyl-1-aspartylglutamic acid; ΔMass: 97.9764 Da] 3659831.878 975157.5041 10457939.03 10030087.04 5051408.647 5197580.232 5846026.133 17616558.34 15051778.82 8302878.296 14515720.71 19934193.21 1622277.106 2708840.338 [Similar to: NP-016596; ΔMass: -168.1748 Da] 1231094.087 349938.9576 1105890.103 940345.8008 1404073.99 1153492.946 1280251.405 1360812.813 457393.4031 1445811.04 492612.7011 1483930.07 383017.2292 345654.4212 [Similar to: Perfluorooctyl phosphate; ΔMass: -248.0261 Da] 128805376.7 47110231.8 321065629.1 221557056.9 328413054.5 133365564.7 319732823 212822002.6 340419029 337675979.7 357486644 358261266.2 47003688.06 104202788.9 [Similar to: Perfluorooctyl phosphate; ΔMass: -248.0358 Da] 30013000.24 10213080.76 26830340.63 28168559.54 68571761.05 41141225.22 13975733.66 49256476.31 62472573.56 58996194.36 56654391.72 59654898.92 16924957.62 28524286.1 [Similar to: Phosphocreatine; ΔMass: 97.9763 Da] 5045016.657 6419198.427 8068058.361 15377062.33 16416163.25 8201773.075 20118177.98 18583893.27 48272663.08 32136333.41 44420395.33 13647836.03 18536724.66 4454816.229 [Similar to: α-D-Mannose 1-phosphate; ΔMass: -64.0756 Da] 74545031.32 36079701.72 11573216.46 13663704.27 103224378.7 90741991.53 128099380.3 89505636.15 96914326.34 91673013.47 109423549.4 132856950.4 89083814.98 98183964.36 [Similar to: α-D-Mannose 1-phosphate; ΔMass: -64.0757 Da] 39925277.52 20932619.89 16798671.2 11945138.62 62650322.42 48375478.97 66191328.99 73992478.61 52302183.71 78188732 109209659.2 85581025.62 50516813.31 51852202.67 [Similar to: α-D-Mannose 1-phosphate; ΔMass: -80.0497 Da] 526474486.3 487040256.6 995037735.4 918656773 1483369565 947492732.6 1702148900 1215160714 1505649925 1478272999 1782096660 2090285539 697259866.5 917371477.9 [SThydrox]N-(3alpha-hydroxy-5beta-cholan-24-oyl)-glycine3-sulfate 207029.9231 154728.7673 291965.549 250456.0747 194405.366 150105.3152 174469.74 143857.2864 189221.8878 158574.5613 133276.4673 151855.3923 128324.7436 153064.4697 {[(3alpha,7alpha,8xi,10xi,12alpha,13xi,17xi,20xi)-3,7,12-Trihydroxy-24-oxocholan-24-yl]amino}methyl hydrogen sulfate 86574.64247 71308.48192 104998.921 80282.43948 74945.09052 65157.83741 66505.6625 73299.54994 72361.72928 73468.18955 76899.25821 83505.47457 61934.68906 55994.55156 {3,5-Dichloro-4-[4-Hydroxy-3-(Propan-2-Yl)phenoxy]phenyl}acetic Acid 130003.9825 86293.08381 177095.0856 100592.6579 276432.8368 236796.2918 289042.7295 200260.1497 100478.8139 86326.81775 178459.5689 196487.1675 84013.59646 72985.1613 {4-Hydroxy-5-oxo-3-[(3,4,5-trihydroxybenzoyl)oxy]tetrahydro-2-furanyl}[(3,4,5-trihydroxybenzoyl)oxy]acetic acid (non-preferred name) 185758.1015 165122.3727 224087.7833 211457.6595 243635.2424 207963.4112 213888.5176 187807.4848 224766.8341 209647.1812 301151.1383 328885.1499 187754.2284 186438.6706 1-(1H-Imidazo[4,5-c]pyridin-4-yl)ethanone 168732.3002 108678.4977 194888.7435 183415.9905 163054.759 192665.262 197491.5994 209453.2997 211524.7086 282799.2049 214727.5623 218928.0699 190797.0605 239781.1441 1-(1-hydroxybutyl)-1,3,4,5,6,7-hexahydro-2-benzofuran-4,5,6,7-tetrol 206323.1199 75578.24461 174369.7822 142911.8313 3319643.193 2162296.339 145999.8992 165841.8205 225303.965 244414.0555 278199.9868 338668.1687 73264.45262 108732.7406 1-(1-Naphthyl)-2-thiourea 629313.2929 261584.3187 438398.4758 338607.5977 2515267.301 2968373.117 1633641.553 321677.8972 459385.5463 488762.8768 441830.3442 446935.1485 367198.1133 423642.449 1-(2-Deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,2-dihydropyrimidine 14594556.69 9173376.289 12898777.94 10321867.18 27039425.43 19997768.08 39465862.7 33503812.18 21487151.65 21356918.59 7745672.818 9136053.574 14379150.53 16844638.3 1(2H)-Isoquinolinone 545523.0427 570294.8946 587441.7182 1535811.273 954627.3707 989324.5329 2021372.512 732807.4023 2310298.261 722906.3383 499161.2231 2618153.74 1125605.645 1166859.382 1-(2-Thienyl)-1,2-propanedione 10811.5308 10074.40443 10947.91754 10655.88168 16817.95727 16045.03683 13747.77974 14601.71697 14036.97913 15726.68632 16057.63865 15924.31398 12708.29411 12035.95514 1-(4-Carboxyphenyl)-3,3-dimethyltriazene 288952.6757 308568.3806 334484.1184 354779.4911 256751.2482 146363.0465 176983.0943 401450.8708 170107.5166 458409.0133 168614.6848 260022.532 201451.0007 162868.1151 1-(4-Methoxyphenyl)-3-phenylpropyl hydrogen sulfate 11232312.38 8232214.512 6255701.251 8943836.576 13166055.07 16539999.83 16992653.26 22541809.88 19243892.23 17260777.31 27174310.05 24893727.49 20596674.76 16744101.88 1-(5-Methyl-3-pyridinyl)-1-decanone 412611.2575 201936.1452 2505729.437 169060.2918 169340.1101 221025.4564 243010.4631 2784550.682 2315909.987 2161651.595 210127.5083 622810.1321 3053670.904 2973876.75 1-(5-Phospho-β-D-ribosyl)-AMP 425370794.7 250565598.2 531585900.4 433124197.6 464154896.2 381626972.3 378130261.4 431266364.4 533234409.5 443323958.7 485376529.3 436578796.7 356996862.6 352546934.8 1-(6-Aminopurin-9-yl)-5-methylpyrimidine-2,4-dione 553126.445 222029.0809 199448.39 163375.8752 861552.9334 192207.2014 199500.905 554048.9056 290206.7194 877952.6373 312552.6407 888163.7162 243016.5648 219310.6305 1,1,1-Trifluoro-2,4-pentanedione 22527.83596 19340.71221 31375.14248 22443.30055 124002.2567 77387.43806 17018.27269 17771.1833 65938.23661 37049.7136 39020.95324 52458.91281 15014.15973 16029.89668 1,1-Dibromo-1-chloro-2-propanone 669003.3101 494131.9629 1084503.126 681088.627 6078502.808 11877249.41 8455513.858 9000431.82 5703681.213 5252265.804 3598149.073 5679979.879 6359394.918 516425.2224 1,1-Diiodoethane 7939704.669 19332787.26 22700246.27 20600794.2 19102654.95 19782627.15 21104402 18707828.41 18160952.15 20436443.8 11093960.97 29078061.41 25122813.83 10798387.34 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 135810.2019 929827.8342 210240.1305 209371.4962 2869461.418 326444.9823 1850937.866 232518.5949 191617.8601 1537576.688 1411265.961 1435431.507 1266609.672 1270713.991 1,2,3,4,6-Pentachlorodibenzo-p-dioxin 102387.2539 90506.64908 132202.7522 120476.0771 1101780.642 610411.8709 133629.7727 641076.8159 501345.5056 864042.6435 472249.4472 832108.2539 1086811.107 249057.6821 1,2,3,4-Tetrachloronaphthalene 682481.6714 690769.4382 651191.2775 748034.2214 9128718.425 1737176.658 3213345.237 1135020.387 3673431.884 2992796.14 1135973.336 1936037.543 2796851.966 1736267.333 1,2,3-Benzotriazine 214997.1096 157910.6114 537324.1447 296669.6683 1637083.556 1421348.115 1469540.399 887948.0031 1252981.929 648458.7879 757032.5779 1124898.41 741216.2651 864630.7459 1,2,3-Oxadiazol-5-amine 65914.66567 58924.9478 89810.01105 81583.2635 92702.24149 166006.6763 140605.2307 86040.68064 161412.4962 96232.00571 106240.7461 81647.8481 118436.2474 220572.573 1,2,3-Triazine, 4-phenyl- 27606.85281 27245.40694 26986.9368 28246.2065 43107.24276 36603.97183 38891.52501 37707.36149 37188.88839 48912.2974 126623.6853 40619.15186 35133.77875 32911.38128 1,2,4-Benzotriazin-3-amine 36998.33824 33810.97802 36406.92553 37653.11433 61038.18035 53657.14338 51396.60114 56626.6513 46936.58809 50889.64518 51451.82509 47664.37692 49309.53676 46834.3 1,2,4-Benzotriazin-3-amine 1-oxide 253940.1407 260854.4089 328547.7938 213258.2276 490939.1838 272888.6859 429161.6434 270639.8507 381303.6618 256281.6631 507329.0442 497182.5645 401550.8794 405076.7056 1,2,4-Oxadiazole 6076439.414 6136355.217 5789907.096 432162.3067 9775030.33 6786857.784 8810646.223 12496564.59 8387019.896 12816317.03 13687741.55 9321944.553 8700902.598 8048669.473 1,2-Dilauroyl-sn-glycero-3-phosphocholine 2078617.012 1089167.276 2174494.218 917417.4683 1549124.407 902484.9578 1914688.139 1083111.229 1557681.976 605308.3236 1200141.275 509567.1758 713444.0849 554142.736 1,2-O-Isopropylidene-D-glucofuranose 621047.9211 402386.7873 676963.9071 262029.9154 4270102.686 1378440.932 1606624.25 1102115.806 526285.5313 521712.4697 1531201.263 2749656.453 194590.7139 336005.6882 1,3,5-BENZENETRICARBOXYLIC ACID TRI(TRIMETHYLSILYL) ESTER 674314.3622 721978.5492 823830.2103 810229.1127 860678.2776 890495.8167 898003.8937 828665.8517 912998.728 850362.9824 842679.5645 826390.9417 863321.8558 843613.0263 1,3,5-Triazine 1841210.868 1522577.025 1469934.516 1668728.806 2010889.081 793366.2829 1567608.047 2199468.467 1502406.059 2552689.462 2333576.686 1897094.004 1596259.903 1440012.189 1,3,5-Trichloro-2-methoxybenzene 52821.67956 44330.53843 44423.77711 43930.69015 156652.3389 73396.35009 74163.10313 61440.95136 113438.5698 597494.4132 831168.8423 908885.9997 61159.15031 63304.55917 1,3-DI(3,4-DIMETHOXYPHENYL)BENZO(F)QUINAZOLINE 3003408.499 802383.6088 4295910.998 2256930.511 3172969.795 1226976.007 3337865.874 1319052.418 2305529.334 1374401.083 677348.8669 491792.6843 306230.2211 831458.7474 1,3-DI(BROMOMETYL)-2,5-DIMETHOXYBENZENE 1509503.505 2194999.405 13480740.59 12391530.96 10993278.47 4900039.246 45443031.54 16211721.92 21977714.5 21040021.01 44359257.87 64813901.08 3202828.204 5576060.992 1,3-Diphenylpropyl hydrogen sulfate 71575.70133 263355.1776 51585.04585 59900.69652 65455.93756 83407.06204 53691.37089 57017.75785 67308.47645 120065.1025 59093.4841 46856.72746 118413.7477 128159.2475 1,4,8,9,10,11,12,13-Octahydroxy-3-(hydroxymethyl)-3,4,4a,16a-tetrahydro-1H-dibenzo[f,h]pyrano[3,4-b][1,4]dioxecine-6,15-dione 2557720.644 335874.4927 1525713.977 1692345.382 1004638.36 2195275.797 490189.1225 2385160.898 2505775.401 2996097.418 2452619.082 964236.9051 2184456.549 2122095.761 1,4-Butanediphosphonic acid 60776.49803 51804.39713 76040.22434 65928.88241 137705.1275 54191.00321 473800.3342 73723.00198 58381.83953 150139.7541 167320.0503 193558.9611 49923.76034 137431.3836 1,4-Dihydro-4-imino-1-β-D-ribofuranosyl-3-pyridinecarboxylic acid 673164.6427 1817868.191 2223922.26 1324894.178 791632.3089 532388.2062 519943.1526 1456826.466 306311.5718 463816.2474 1064946.122 1453498.466 223012.9712 740656.6101 1,9-Nonanedithiol 122202.3363 116977.6639 115987.1086 115320.4145 174719.7661 150398.8579 172906.4794 135666.4836 170658.0349 132106.1514 158927.0624 170216.8523 143822.2248 146389.7625 1-[2-[3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone 195826.931 182863.3949 146793.2936 153038.6032 47735.33397 54574.7769 25524.29834 39472.75095 208601.4226 24817.66663 28184.43591 27360.85639 29388.00628 83762.55264 1_2-Didecanoylglycerol 292284.751 76101.03031 431165.6249 567126.6904 858306.4177 786779.1152 722817.0648 408825.77 831340.2041 769878.5005 817603.8943 904888.8407 705516.4216 448836.6485 1_2-Dihydroxydibenzothiophene 7697950.566 20421204.36 33989989.02 28365689.76 55500101.78 33778389.29 26853492.13 32941109.94 65343498.91 58970364.26 34509780.35 46479380.58 19692408.73 21762137.85 1_3-alpha-D-Mannosyl-1_2-alpha-D-mannosyl-1_2-alpha-D-mannosyl-D-mannose 3900859.433 2493229.484 6947423.112 8137408.711 243895.8378 1959360.766 12296975.96 327285.2301 1782170.766 231322.2815 210230.5702 1815946.243 812318.7889 328722.438 10-(Phosphonooxy)decyl methacrylate 2929300.34 3141583.913 2189127.719 3164644.837 2465300.221 1853039.683 3845961.164 1582230.743 3524753.51 2498901.666 2075732.405 4268982.326 2173063.859 1261109.27 10,12-Tritriacontanedione 1688179.965 3084204.876 1738194.415 1867356.45 991519.8239 1511472.579 343644.7051 1825215.862 1543814.754 1224274.009 1223964.527 461832.3195 2354695.762 2117735.337 10,20-Dihydroxyeicosanoic acid 310901.7934 171423.3681 150012.1049 162554.3643 20482.8956 20343.36361 20164.47832 20645.79194 19590.36549 20169.86184 20855.47437 20839.3983 20204.91279 18307.30116 10-Hydroxy-4-isopropyl-7,13,13-trimethyl-18-oxapentacyclo[9.5.2.0~1,12~.0~2,9~.0~4,8~]octadeca-2(9),6-diene-3,5,17-trione 1109470.421 493516.6101 771889.1827 1287939.555 1371309.867 1196160.213 820754.1184 421243.6443 1652322.586 557767.5025 2112420.596 924105.6051 1076510.891 797229.4992 10Z-Heptadecenoic acid 1545607.431 774062.6444 1564419.608 1797647.871 3068771.418 2444232.325 1869295.748 1645227.48 2063058.924 1600461.1 2979174.813 2717480.662 1838897.601 1357424.053 12,13-Epoxytrichothec-9-ene 1442952.869 1484438.682 1455286.35 1266155.254 1829334.297 1285610.066 1525918.327 1379098.81 1499019.723 1249717.533 1286623.717 1359626.285 1322711.403 1386818.212 12-hydroxyheptadecanoyl-CoA 1654753.828 1567688.953 1800637.427 1877026.328 2811088.572 1959070.887 3258898.615 2078625.411 3363704.228 2069962.211 1825239.275 2160015.463 1705963.624 1802493.01 12-Methylpentacosanoyl-CoA 1480512.777 2824198.079 4840397.116 1680547.584 4228081.867 3112828.543 1978826.579 3110071.124 3083013.365 3114041.247 4210321.281 647775.7498 3355150.931 3582297.859 14-Formyldihydrorutaecarpine 564934.4969 410447.649 789604.2059 585027.3044 170318.3258 154997.1796 663967.5789 638179.6368 411049.3174 209435.1223 1401244.534 1061266.471 199665.6994 273907.3694 15-CROWN-5 3348240.764 100474.0351 1802558.519 1578358.686 3273261.063 1573809.386 2580704.038 1583437.65 1013674.102 2242580.762 541912.9157 2793073.13 93739.02145 2915789.229 15-Ethyl-1,11-diazatetracyclo[13.3.1.0~4,12~.0~5,10~]nonadeca-5,7,9,11-tetraen-4-ol 1-oxide 209538.3902 103762.4174 118560.4312 206752.6253 15111.58434 15013.51847 14777.61236 14433.03666 14169.39815 14902.84461 14736.16382 14817.9656 15472.49899 14594.52693 16-Hydroxyhexadecanoic acid 20680444.3 12446129.66 18159892.45 16577621.18 25576101.74 17641720.06 17550245.08 17862568.11 22982623.38 23767677.48 27218596.36 29424988.63 17789623.09 16781194.4 16-Ketoestrone 2385842.984 1286663.954 340021.1625 408318.5244 68716.76138 1054914.06 318620.9945 49185.95768 54784.01815 54832.34356 53183.38005 58249.96884 45193.62032 44782.74343 18-(p-Iodophenyl)octadecyl phosphocholine 811457.4149 1024459.144 508196.0254 1371958.325 461578.0649 869161.1104 521989.3712 1567026.93 650942.7902 499830.9732 1157448.352 882973.3312 856662.2802 977165.6849 18-Oxocortisol 650832.6451 333721.2414 459293.4855 431929.9961 517161.9717 505359.196 586844.7301 453762.5894 407836.5012 456161.9924 496548.0527 592155.3231 368732.261 322736.803 1-aminobutylphosphonic acid 752504.304 819828.9962 767268.4442 777246.0098 874174.5342 949182.2677 900412.5222 919372.2894 924168.2223 877481.395 928286.6394 878658.9307 905975.5449 943576.5132 1-Aminocyclohexanecarboxylic acid 171280.7324 114144.7324 277356.1839 223604.9464 137476.5786 100715.4361 107360.464 88833.84069 120890.551 98332.13646 88020.66639 90099.61196 76742.49901 85947.32432 1-Aminocyclopropane-1-carboxylate 3485815.5 3263488.216 3322672.412 3369374.972 4045223.582 1299211.157 3334698.685 3312182.611 2305883.52 4921890.81 1792895.277 1479097.476 1330823.925 1136156.205 1-Bromo-3-iodoacetone 178259.7178 159477.5238 244200.286 221831.1304 32340953.58 26821462.86 3198219.552 46198275.22 74842303.12 63638336.16 58081421.89 35761766.52 30548128.57 83832434.78 1-Butanethiol, TMS derivative 83631.98032 76880.08275 81336.08137 85386.48518 136892.1236 115004.0684 119229.434 132019.0349 111866.9361 126459.2485 125032.5338 111779.5259 106120.7201 105119.5314 1-CHLORO-2-TRIMETHYLSILOXYBENZENE 372078.978 301274.1314 473285.6711 368548.2734 334070.9035 229879.1162 404132.8382 299333.8342 345364.3688 295091.2859 348376.713 407073.1395 226822.3914 244857.3852 1-Chlorobenzotriazole 295753.5864 379552.1756 361695.0701 278006.9779 242903.3177 416172.5829 435599.9882 279213.6254 456449.8379 224677.499 431309.7699 1257483.004 404224.2566 360158.8286 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-Quinoline-3-carboxylic acid 60317665.5 36760027.62 60760989.55 47029788.26 50136292.19 37165253.84 39238975.61 35635763.67 48763225.46 47532285.66 70179857.56 75286383.02 32539590.65 43196042.9 1-Deoxy-D-xylulose 5-phosphate 2154933.602 1429693.806 1121323.309 899515.9993 4000333.661 3089317.226 2749997.923 2240643.637 4406584.527 4852023.208 3409044.874 4424218.779 2001601.571 2232054.149 1-deoxy-L-glycero-tetrulose 4-phosphate 675302.67 370460.6644 221560.1134 1511457.233 26101.72478 25363.6521 26386.82815 24515.16969 25949.05046 26213.18486 23295.14567 26343.08421 23223.68384 24933.4412 1-DIETHOXYPHOSPHORYL-4-HYDROXY-NONAN-2-ONE 996407.2888 725224.8521 871772.5129 422119.3636 862053.4043 616360.7045 619021.8061 474531.9408 654036.3083 423261.2361 702627.8562 913211.2317 325321.2481 294267.5516 1-docosanoyl-glycero-3-phosphate 1708043.178 4060762.72 1920194.708 2148347.087 2137225.273 4639857.924 1736903.435 4042491.243 3034185.512 2409469.952 2962196.09 4438691.341 4604599.963 3207246.117 1-Ethyl-1-nitrosourea 76092648.74 111709970.5 83832814.08 90478497.21 73525430.18 85908706.17 76579124.31 107777605 101245264.3 86455568.25 85360531.33 16290454.96 129686722.4 130984895.2 1F-beta-D-Fructosylsucrose 6147025.489 1644119.992 4113190.135 1355491.68 597379.6463 489938.8855 12813338.74 518401.4591 587358.5585 558017.1669 529001.5709 655051.4414 415484.6461 1721137.882 1H-Benzotriazole 1094902.692 847926.3407 1632397.407 925787.3627 1682252.582 602885.238 988909.1513 1766883.533 2434058.833 2085442.065 2375624.05 1153417.545 1793125.149 1756269.257 1-Hexacosene 1747828.438 1787867.92 1234905.711 1990826.595 2193249.378 2649366.867 2769640.674 3178495.405 2977989.779 2198621.739 2520900.635 1006085.847 2965710.29 3772290.713 1H-Imidazo[1,2-b]pyrazole 16330379.19 16763877.98 17094773.16 16262263.39 35092012.59 36356407.37 35933027.64 33702287.51 35406925.64 32812833.51 31989323.38 37117438.22 33052098.59 32646504.11 1H-Imidazole-1-ethanol, alpha-(1-aziridinylmethyl)-2-nitro- 31042.69228 29617.49702 29427.32916 30978.01305 48789.27235 41685.9741 43891.08908 45089.12454 40814.83131 44804.39671 48978.62223 40992.63222 39001.89679 37303.9839 1H-Indazol-3-amine 1208890.35 1255173.062 873378.6511 1367262.105 1014347.318 2127870.543 1185320.215 482860.4812 2310176.616 353962.2026 181961.7207 1885535.452 2191916.076 1282329.319 1H-Indazol-3-ol 39179.78345 35987.47193 35797.51816 39842.94102 59123.67162 50104.91246 55396.07679 57106.09022 50744.23248 56548.78593 67645.0096 49277.063 47344.99796 47497.57367 1H-Pyrrole-2,5-diol 8533123.498 8456932.519 9001811.392 8934115.879 13013957.3 12458667.83 10985243.03 10568104.3 15210110.34 13304589.48 11993508.47 9651878.098 12400937.14 13687963.41 1-Hydroxy-2-(beta-D-glucosyloxy)-9_10-anthraquinone 612137.8883 695005.2111 584072.6135 595793.619 676988.0819 688784.2665 689995.5884 694799.5336 929085.1478 682865.779 1721655.546 687034.3305 684675.1782 659866.6914 1-Hydroxy-2-naphthoic acid 1011679.74 2244615.756 965296.2857 1028667.836 1118857.597 1154839.373 1140355.092 1501614.855 1080826.414 1569367.243 1149390.808 1523850.117 1196329.018 1278079.512 1-Hydroxybenzotriazole 302987.474 235250.3762 335310.006 270621.7634 238186.5789 267852.7946 266590.1512 199831.7153 233394.2748 229897.5632 244874.237 246309.1591 234882.6341 212976.3748 1‐isocyano‐2‐nitrobenzene 2430494.57 3227285.717 4857575.845 1952287.223 3654096.5 1679630.49 8025828.594 6108174.091 4775405.893 7905049.579 8896202.172 6095020.593 3710408.63 2312565.001 1-Methoxy-2'-(methylsulfanyl)-1,2-dihydro-4'H-spiro[indole-3,5'-[1,3]thiazol]-2-ol 231954.8199 684594.4607 653182.7854 281856.5823 278034.0783 1231271.53 95296.65467 133995.6509 1095117.225 1662007.683 356420.3394 476304.8852 278365.4189 302108.7469 1-Methoxymethylbenzotriazole 353886.4385 336154.5622 338555.9885 189322.5069 428674.4797 469473.3127 479072.1952 336570.4144 531134.2078 519859.9235 484742.8407 478001.4828 515380.7931 497459.0999 1-Methyl-3-(2-thiazolyl)-1H-indole 235861.1729 442369.5587 221038.1314 312914.3389 1728904.071 1564660.836 872612.2749 1389019.092 1353325.501 1091237.441 2046478.366 3725192.034 1753856.127 1355377.517 1-Methyl-3,6-(1H,2H)-pyridazinedione 5217355.557 5361581.979 5101565.951 5205324.988 4550248.23 3533969.417 4569876.189 3707926.206 2601489.402 5788378.864 2816485.347 3917057.616 3210799.361 2505159.526 1-Methyl-4-nitroimidazole 253633.9093 246808.8647 220546.0828 271324.1572 355273.1457 374833.2211 341689.1831 295475.0037 356066.6839 357399.0767 211913.1475 418436.7407 379341.2414 298361.1754 1-Methylcyclohexane-1,2-dicarboxylic acid 76257.49751 87084.45284 86005.20945 104458.7668 164912.709 146359.5461 117565.4849 173168.359 126987.4429 185307.836 200764.3381 114334.6638 114109.7051 138061.2369 1-Methylcytosine 8088034.036 7989252.045 8089145.603 7457928.326 10546900.26 10877380.07 10093831.5 7247902.219 9237801.554 8204496.335 4621318.687 8882340.98 9742451.16 10040123.54 1-Methylhistidine 1662748.337 1661815.595 1814283.669 1836446.833 1847625.387 493330.0603 1462607.628 2238975.043 1460203.771 2796786.821 2342966.018 1853143.449 1261983.332 1420239.317 1-Methylspermidine 470513.9093 780411.4486 899912.1874 979479.2691 589741.9664 2312661.727 970992.5111 607044.4097 898629.9364 284798.048 1465450.609 654776.0957 2280200.126 2266408.99 1-O,6-O-Digalloyl-β-D-glucose 12815716.05 8085810.378 8195845.766 6011477.931 5688824.979 8384364.07 3528965.162 2910338.336 3999964.906 3437139.002 4508473.755 3564810.362 2358688.343 2449972.907 1-Octanesulfonic acid 339461.3248 213209.1873 340849.7406 251774.7065 277742.4985 236834.126 227611.5846 290694.2294 223611.2638 359516.1836 212483.0186 566728.8405 267663.4753 1846536.509 1-Oxo-1,2,4-butanetricarboxylic acid 6640380.929 4700810.604 7019174.7 2348045.028 1294179.07 1170076.318 1216465.679 1144341.375 1290451.128 1269062.113 1311080.019 1307203.204 1190793.717 1316068.349 1-Palmitoylphosphatidylcholine 298198.6977 177920.6366 775485.7689 3873267.522 378240.7706 597880.8883 238664.9378 176774.7735 1761532.831 236968.2988 757944.892 240401.364 566998.1493 148937.85 1-Phenyl-1-pentanone 2621723.67 1566710.197 1702321.407 1268258.171 1532375.118 1381044.491 1836749.329 1658980.29 1498765.23 924298.4542 1567757.519 1181886.134 938407.2609 677467.8187 1-Stearoylglycerol 1874639.901 930213.7764 1871261.98 2851287.5 3754773.972 3444412.247 1966164.78 1467888.598 3694135.715 1501545.016 4526833.526 2978074.689 2996654.12 1774884.758 2-(2-Hydroxyphenyl)benzenesulfinate 44267.33714 40394.95368 35134.98498 38619.47095 32457.41153 31026.49715 32113.73411 31727.07036 30731.53444 30729.33226 30385.64019 30751.93068 31903.94684 30093.5881 2-(3-BENZOYLPHENYL)PROPIONIC ACID TRIMETHYLSILYL ESTER 10844891.42 9869846.147 6549688.452 12041842.27 27902720.64 20668235.62 30626426.28 18461268.87 28629642.77 19010918.5 44020826.77 27089409.38 9190420.116 7616900.051 2-(4-((5-Chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propanoic acid 2-propyn-1-yl ester 148352158.6 107709300.7 85554699.06 99629272.47 108007123.7 130396492.1 104144666.4 148059802.8 127269441.9 119129962.8 45322066.67 104596297.5 182974118.2 172710453.1 2-(4-(2,3-BIS-METHACRYLOYLOXYPROPYLOXY)-PHENYL)-2-(4'-(2-HYDROXY-3-METHACRYLOYLOXYPROPYLOXY)-PHENYL)-PROPANE 4411784.062 2862258.379 3422550.216 4708791.092 6878161.828 6051421.174 5291686.573 3315650.433 5970714.944 3219090.182 6449288.329 4172260.049 4249173.363 3815467.191 2-(4-Chlorophenoxy)propionic acid 7572537.96 5945079.587 9067355.547 9492310.543 13845830.56 10942597.35 15097061.47 9921789.493 11284109.02 8233388.615 12330091.62 9237761.687 5780561.577 8635735.385 2-(4-Hydroxyphenyl)-2-oxoacetate 5710442.389 2947806.496 5171530.7 4699605.671 31068081.14 15291361.76 5597353.75 6272553.928 3928780.523 6533814.406 10072245.22 7777162.847 4265135.039 5189842.523 2-(8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl)acrylic acid 46736666.05 32154509.85 22150245.14 20084553.54 11601746.28 26840646.78 59197690.34 37387016.59 39805906.23 25114329.93 84079785.93 35426633.57 29419755.79 28579306.2 2-(alpha-D-Galactosyl)-sn-glycerol3-phosphate 1232153.353 1424966.96 1200045.047 1039495.391 1611869.247 1529481.878 1562138.377 1408168.603 1594901.759 1797227.808 1868801.643 1480001.942 1560754.712 1491662.858 2-(beta-D-Glucosyl)-sn-glycerol 17084960.76 10600497.93 40700618.89 31956944.56 13414674.27 11840530.85 12077075.98 13324647.06 38055283.72 37903553.71 22778447.95 29811810.83 31415880.87 36130963.24 2-(Difluoromethyl)arginine 113153.7071 76266.62296 77966.82251 34671.32586 105990.8402 51235.05145 96063.29801 68021.54096 74360.11647 50487.31202 98937.60011 112477.2485 82734.96857 50864.91217 2-(Fluoromethyl)-3-(3,4-dihydroxyphenyl)alanine 34451357.48 24966707.87 39049409.53 34995291.55 40885349.67 35394805.71 23749615.72 31213391.2 35518568.45 29772667.82 52810777.03 59786025.34 25882556.44 26452190.63 2-(Methylsulfonyl)-3-(pyrazin-2-ylamino)acrylonitrile 1373100.737 1042455.686 3397828.085 1467789.077 2070220.985 3286575.964 3976274.226 2276432.394 11395825.19 2645838.31 9451387.99 3897681.399 5189447.705 2808272.767 2-(Methylthio)ethyl glucosinolate 377214.1133 380895.4554 368142.8492 345331.4314 4276275.857 5261318.068 4881952.377 449560.8266 441631.6561 4556214.208 471816.4747 11835390.25 437841.3737 443689.5853 2-(Sec-butyldisulfanyl)-1h-imidazole 71741.943 55249.51619 76904.35372 66941.045 133536.8287 139591.478 78801.26973 119529.7672 86714.11141 117712.2414 62735.30155 101037.7155 68022.34257 108612.8885 2-(Trifluoromethyl)benzhydrol 57605.60263 54746.71376 31929.218 36621.4102 85279.46159 59478.60264 80890.25559 66609.13287 64083.8476 60498.07352 40095.69373 73825.98301 35024.98846 37267.45127 2-(TRIMETHYLSILYL)OXY-OCTADECANOIC ACID TRIMETHYLSILYL ESTER 299623.3876 90406.44503 325894.4951 484486.3279 1101440.359 693314.1349 479749.766 447846.4823 605348.1046 399916.0527 696568.2539 384924.852 395075.8107 385657.8042 2,2,2-Trichloroacetamide 19068.68498 18089.01442 18197.58053 20525.86259 32737.89409 27157.15954 27019.56103 29357.77625 24654.75006 24377.08276 26454.36211 24673.23137 24066.57241 23939.65902 2,2,2-Trifluoro-N-(2-nitrophenyl)acetamide 4841699.395 6704700.78 7015009.22 6138643.546 3731235.808 2911426.687 2494953.902 3653285.408 2322289.137 3089413.341 1957795.617 3780998.901 4627085.089 1937974.427 2,2',3,3',6,6'-Hexachlorobiphenyl 21142.89016 15977.23975 15083.06602 15964.02826 13166.39852 11575.17972 12409.87783 11708.01423 10983.81872 11970.73076 14384.61506 12738.44284 13935.9042 12627.06737 2,2'-Anhydrocytidine 52416.38249 49773.20089 49525.06343 91934.03146 80418.78193 87276.27947 72414.5672 65992.57716 78498.35896 61097.28627 60049.55077 76713.04348 65958.75517 66540.86399 2,2-Dichloro-12-(4-chlorophenyl)dodecanoic acid 1266814.448 1718806.534 3990693.802 1628022.818 616247.2993 524577.8762 1055550.393 482616.8881 597855.735 596571.7057 662882.9261 670541.7202 550911.3691 635595.4268 2,2-Dichloroacetaldehyde 118739.7393 104347.4346 106133.9313 107019.0134 150695.6607 134313.0332 149162.584 142306.8852 138749.9464 142065.6185 134083.7878 145418.1803 123508.3328 131859.8932 2,3,4,5,6-Pentachlorobenzyl alcohol 616597.5188 652680.9242 726089.1027 1594409.321 5016701.363 2251095.067 669852.5996 4354239.281 5161765.771 5144610.435 5649529.143 6971847.087 1562174.141 2456731.587 2,3,5-Trichlorodienelactone 2019372.232 1360308.712 1722382.093 1577113.581 64609.67906 57597.77464 71254.93824 62325.47034 92790.68587 58381.89713 58522.69137 54510.06745 48952.89592 46494.55988 2,3-Diaminosalicylic acid 316413.8049 435460.7851 338914.4937 332870.2978 402816.9848 205065.4367 364141.0999 464189.3054 312225.7573 736800.3556 718657.5501 435580.4988 370407.8966 352668.2749 2',3'-Dideoxyadenosine 65579.61433 62775.80538 62244.22606 61886.44615 93248.59357 79324.30187 92789.88092 68803.0792 90805.46913 68797.69605 81885.52579 90908.56976 78568.99101 78559.74324 2',3'-Dideoxyadenosine-5-triphosphate 11490334.86 5857733.627 8134750.74 8610478.887 4207940.814 4158089.887 2872099.991 1857283.852 883899.6649 1295955.734 958965.5817 4151619.973 719327.6792 759053.7095 2',3'-Dideoxythymidine triphosphate 4123469.444 7128940.179 4185108.3 4376663.625 2549676.718 3580008.562 2337890.255 4114775.664 3393550.445 3409639.326 3008242.112 734638.3239 6499052.221 5601609.287 2,3-Dihydro-4-pyrimidinamine 82676.72443 74135.96658 71464.98369 174252.3822 115368.5568 103741.4673 117163.7754 100227.4275 116887.8889 123352.7344 134783.9475 116234.314 99583.73331 99084.57356 2,3-dihydroxy stearic acid 409502.0258 418497.3947 456303.5073 462956.875 31103.28794 81692.7452 70715.94698 17412.90149 17084.46277 18618.98618 16172.40649 18711.2525 16495.57087 17709.99593 2,4(1H,3H)-Pteridinedione, 6-methyl- 223338.654 270671.8661 258481.1057 397400.4644 182229.4183 175321.9931 195690.9769 300314.0403 196330.5062 221702.5224 263494.702 188456.5423 160786.9402 166427.2037 2,4,5-Trichlorophenoxyacetic acid 3249919.881 3284179.51 2294969.28 2919292.675 3582360.173 3118831.602 3315463.968 3584853.389 3769313.434 3423162.921 4263209.679 2861383.336 7021063.481 7271721.596 2,4,6-Trichloroanisole 22941.72672 20759.75657 22163.21576 21572.01167 34046.65904 34177.80641 28658.61345 33755.61879 30690.58494 31837.46506 33190.31208 32237.54704 25798.64379 24711.63454 2,4-Diamino-6-nitrotoluene 2080555.39 1696264.077 2083275.404 2154742.4 2705421.519 1025596.421 2077752.056 2294397.887 2001589.008 3231511.96 3043093.714 3226020.247 2178686.497 2098479.373 2,4-Dichlorobenzoate 322179.3451 149458.3138 86075.89863 78781.0326 26338.67 25593.89727 26626.36147 24999.20883 26184.60974 26451.14189 23506.61344 26582.22043 24192.61267 25159.78102 2,4-Dichlorophenoxyacetic acid 969654.4707 980378.8596 1185580.334 1116499.695 905083.723 1089050.041 1219700.597 1625768.043 1269757.348 1192097.661 1425083.115 872837.3644 2901639.515 2715655.127 2,4-Dihydroxy-2-(hydroxymethyl)-3-oxobutanoic acid 1183976.498 1279693.611 1207206.126 1177536.617 1404184.132 1465434.7 1435094.481 1405784.639 1454069.365 867167.1074 1476871.014 1362276.169 1346255.516 1447871.861 2,4-Dihydroxybutanoic acid 1790254.706 1608252.35 1476401.039 1635436.427 2015471.108 1831462.926 1912126.944 2352970.688 2301201.873 2034841.202 2135583.042 2387462.779 1852610.348 1847456.759 2,4-Dihydroxypyridine 78015.90063 223167.8634 220376.0037 183106.6117 298741.6658 383712.1073 656519.4268 614749.1133 683906.5849 460331.7189 378930.9347 440781.0262 298283.9977 363541.0668 2,4-Dinitrobenzenesulfonic acid 49104.58037 48305.67434 62091.0396 59158.2017 53346.58389 54155.17127 44899.76351 51768.21955 56247.5796 54077.90632 50373.86099 50725.58232 45114.94623 40643.44011 2,4-dinitrophenyl-S-glutathione 995293.4821 1618249.104 1522944.003 2524383.622 5268282.974 6705735.693 5186112.281 7255819.44 8332727.642 8798737.333 10692545.87 11836302.55 11347067.86 10003435.62 2,4-Oxazolidinedione 17300817.35 8310291.691 16806875.35 10543832.95 24726817.06 17220814.82 15358605.32 10101063.24 12163043.92 11956281.88 13768845.88 20528842.89 3673488.235 4817471.155 2,5-Anhydro-D-mannose 486082.7137 466496.3514 449411.5834 474480.8137 497888.469 360943.6988 627156.8074 372619.1263 339234.2145 605941.2223 470266.7555 651768.7232 457461.1406 457719.8015 2,5-Didehydro-D-gluconate 46147115.19 20893024.05 34313352.93 35382923.49 73537463.22 47581571.37 59988525.96 39353378.3 46683089.43 43882759.54 50708564.44 60213289.22 30984191.93 38322929.56 2,5-Dihydroxybenzenesulfonic Acid 182905.296 180722.422 233983.2633 267644.6161 328228.4675 349036.0491 346338.4271 235645.9136 262225.5584 262051.5276 298299.9879 621451.4762 217296.0991 236250.2637 2,5-Dioxopentanoate 72744101.29 55789285.95 121088738.6 94796845.4 48135676.85 39345133.08 15621747.81 16193871.45 51432680.21 56527232.4 23286043.22 20918230.08 27869930.79 25873954.94 2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate 602271.1274 165554.1861 768761.1793 832133.0468 1296284.314 462952.6544 301042.9164 512464.701 550965.6062 1072982.784 267039.1703 444445.4357 791376.8765 839886.6667 2,5-Dioxopyrrolidin-1-YL 4-(pyren-1-YL)butanoate 5270018.743 4143210.407 6230240.679 3877645.764 4224958.643 3619368.978 4367603.937 3706801.539 5170605.575 4784088.456 4227365.976 4246135.035 3124083.866 3694794.834 2,6-Diaminopurine 826850.7471 882561.3565 480186.6348 663951.0035 541248.8092 321645.479 287308.6556 255835.6591 179307.7965 178926.0961 202631.4165 228314.7798 132118.8569 131097.5069 2,6-Dihydroxy-3-cyanopyridine 84615.43921 182277.3165 246463.6563 70597.38016 423249.8465 32927.16012 377263.4091 406884.1241 87835.05611 91198.47118 33155.7434 498917.311 117842.5509 384390.3784 2,6-Diiodo-4-nitrophenol 2981779.399 3775891.561 1581750.273 2704422.857 2891014.401 3211889.064 3028152.344 3987496.958 2831074.127 3814865.746 4167254.714 3448015.827 4937236.764 3400093.712 2,6-Dithiopurine 543852.3067 513828.5086 536747.6489 511358.5213 611484.2204 609047.7577 610077.5208 648511.4159 520204.2014 1091890.447 111504.4828 670639.9046 105996.6401 374375.2168 2',7'-Dichlorofluorescein 1856026.183 3385843.711 4525309.39 19940131.55 521404.3187 536025.191 516349.7123 518630.3316 498240.4974 515515.5733 537372.1675 540187.1179 495110.2153 510146.8495 2,7-Difluoro-4-methoxyspiro[fluorene-9,5'-imidazolidine]-2',4'-dione 987865.1733 600079.4918 680097.8151 654886.8218 1184495.576 1251152.751 5610179.76 1174042.983 1188444.372 1078146.725 2847008.811 1165893.477 887491.9863 948959.2287 2,8-bis-Trifluoromethyl-4-quinoline carboxylic acid 26186844.42 9785702.377 17634312.21 16773987.98 5488899.02 5337913.222 14291486.98 2896663.882 1757839.957 6831268.576 3116611.909 12840094.61 785360.1397 2233258.968 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol 746367.7482 467975.112 292858.2515 269606.9608 378486.4702 379376.7828 381951.3335 229417.3379 362892.4114 247013.0209 375342.5804 665097.7772 202131.0386 114796.0341 2_4-Dinitrophenylhydrazine 301603.6251 230031.2412 343235.8749 281396.9337 255072.4957 175519.1466 296009.1628 212889.0414 250493.0201 201412.5476 284786.9632 310811.7485 173185.2516 186955.4747 2-{[(1-methyl-1H-pyrazol-5-yl)amino]methylene}malononitrile 32203841.61 17034553.98 37286828.03 23109602.28 39212550.61 26163124.07 32693367.29 21562067.96 35744579.26 28962547.05 30295876.81 39538998.15 15670811.21 18376488.76 25-Azacholestero 1747828.438 2229585.453 1758872.481 2219089.763 2461779.854 2584807.361 1648329.598 3095848.255 2229268.177 2198621.739 2105522.034 724850.1935 4350392.88 3772290.713 27-O-Demethyl-rifamycin SV 17490457.46 13036779.22 14344352.36 27205453.91 19858390.2 25197857.03 20936158.01 60780265.36 23750257.69 13621448.22 35025675.34 33552880.25 20336270.84 15858596.36 2-Acetamido-2-deoxy-1,6-di-O-phosphono-beta-D-glucopyranose 6557589.333 5475234.487 10380919.17 8885541.951 4296992.126 4777063.781 6545340.689 6265314.057 7943472.525 4604558.296 3247102.401 4973436.648 1973597.266 2585557.855 2-ACETOXY-4-BENZOYL-2,6-DIPHENYL-2H-PYRAN 749089.5903 410920.8385 537965.3347 522519.4369 343052.1002 402458.1493 323072.9119 365355.1995 322466.7728 294408.4114 480055.6293 492303.8232 301653.3577 240822.8646 2-Acrylamido-2-methyl-1-propanesulfonic acid 1106237.405 869413.8477 1315252.14 721435.6336 2287411.975 1121577.027 749739.3748 1655635.007 2787361.349 2349033.916 1742267.078 2205059.421 1110201.918 1548624.632 2-Amino-1,5-dihydro-4H-imidazol-4-one 639451.0689 702221.9818 651237.3455 879887.6051 777696.565 334690.9694 564692.4691 1397906.704 508954.38 1576078.306 1623750.052 663531.8692 595691.6454 475579.4544 2-Amino-3-cyclohexylpropanoic acid 62095.33071 39646.23923 51136.31868 49516.53619 69881.07877 60327.08801 67932.59468 53023.62043 54857.76422 46864.94124 58894.80372 69912.06053 41213.34033 43034.70428 2-Amino-3-nitrososulfanylpropanoic acid 1190807.318 1257421.675 705314.2921 438449.8168 465521.1129 475529.7256 479539.0805 454897.5905 487546.4056 467425.2095 449995.5806 441297.3653 461018.6791 450494.0544 2-Amino-4-chloropyridine 9463870.872 7628886.653 14783788.28 10530018.27 12947492.52 9793534.058 21876662.02 11013068.57 13519232.94 15142435.29 10653967.61 19471065.91 7695687.844 7731857.158 2-Amino-4-methylpyridine 367402.3853 380093.9066 466360.7248 468793.6541 572292.2022 476564.1505 488502.9078 514673.6461 579425.4637 555726.8751 571480.4819 568127.6483 483777.1746 547955.5536 2-Amino-4-methylsulfanylbutanal 5058612.14 5553542.428 3929888.14 5961663.971 15407984.25 9881653.777 15641427.86 6709365.348 9149216.93 6540571.867 11833537.25 10598623.9 961547.0609 2172268.062 2-Amino-4-phosphonobutyric acid 3364658.734 2334876.872 1240663.408 2137316.87 296272.816 248214.2759 263289.5314 202011.1147 277681.5909 254523.3634 343603.4128 366057.1626 208531.0158 241526.4196 2-Amino-5,6-dichloro-3,4,-dihydroquinazoline 907275.1818 1343130.655 1792944.11 1673333.067 2086605.753 2278707.139 2231382.582 1706934.244 2602373.012 2205323.942 1384081.171 2749345.012 2151034.478 2247578.5 2-Amino-6-purinethiol 5199754.315 4678176.023 8700190.326 6003224.153 2469555.727 3182561.142 3938342.432 6880241.103 32174320.07 4172678.897 4070606.758 2451780.969 13594132.54 10313385.48 2-Aminobenzoylacetate 1170312.242 257843.0044 1375451.663 1173874.55 6730503.903 2587884.987 1862602.711 1142380.968 2403371.943 2170709.649 2870834.238 4630693.267 1129503.772 1255690.838 2-Aminomalonatesemialdehyde 405574.4282 459915.5133 407325.4994 635717.8727 597957.3816 459730.7661 386913.2337 328505.4226 523711.2203 501249.3019 669959.5913 532814.5916 445037.9304 444361.7233 2-aminophenol sulphate 509132.5301 176133.9848 702514.7744 452067.5106 2198744.48 1104328.333 901980.7364 639305.5443 1056534.858 1184485.571 1375632.547 1925845.167 709100.3685 927862.6636 2-Aminoprop-2-enoate 34600996.56 33002538.04 32445664.11 32761191.35 50562816.75 31592175.43 41016253.1 44093554 38428048.46 48981186.61 40473382.58 39080517.4 38716232.07 37798004.89 2-Aminopyrimidine 2426897.041 2273568.406 2363816.562 2488309.252 3363168.843 2564418.22 3166345.502 3030711.42 3228598.798 3166371.827 3033142.86 3271825.729 2951367.358 3362048.66 2-benzoyl-3-(2-pyridylamino)acrylonitrile 6770634.557 18549257.94 6809051.76 3428647.743 1641325.292 1537159.869 1218470.822 1214288.997 1599827.594 1081276.308 1091219.934 1229320.072 1311575.685 1253736.618 2-Chloro-1,1,1-trifluoroethane 2933179.956 5129954.084 1979013.569 5094014.87 1529716.458 4541263.192 3613069.524 1173084.197 927616.0207 593889.0566 369499.6413 484634.0992 3435662.45 674759.9601 2-chloro-1,3,8-trihydroxy-6-(hydroxymethyl)anthracene-9,10-dione 4190090.735 2537248.091 7883386.342 7560773.429 17615804.29 9455283.496 4334745.449 9121367.305 18861029.64 9539488.891 8976309.636 18080632.43 4789601.998 1397401.904 2-Chloro-3'-deoxyadenosine 66716535.1 48147268.26 72130218.82 56644263.48 78338269.2 64471496.2 36695035.67 37225342.33 52352158.63 37770836.92 36439967.32 51883866.56 31063022.55 31709035.59 2-Chloromaleylacetate 395861.0491 423842.6496 483635.3927 468105.388 505267.3131 522771.9118 527179.5818 486474.1904 535982.4062 499211.6455 494701.0403 485138.6883 506819.2445 524173.2139 2-Chloroticlopidine 179043.1487 252315.4052 119021.4071 195101.7941 466546.7943 645634.3255 373655.6209 450155.1423 343811.5773 469609.4489 274136.0471 353579.7893 493979.2887 197718.5525 2-chloro-trans-dienelactone 4864718.975 701900.8534 353782.3369 148669.3643 168931.5029 145002.7223 138129.8975 153976.9869 155620.9925 171649.6219 193602.7501 148787.057 130553.0597 144046.3864 2-C-Methyl-D-erythritol 4-phosphate 62219973.27 18899508.57 86707661.19 147045045.3 49850777.08 31676521.43 25525839.44 5942118.303 29892375.42 29886273.16 16172138.23 36904900.61 4964366.762 5735955.506 2-Cyanoethylene oxide 24556956.66 24199513.38 23671060.45 24158714.04 34414082.64 18760510.94 29852677.64 36332344.89 27247528.48 43821543.46 34847474.34 30776313.31 29148503.33 28420390.65 2-Cyanopyrimidine 665888.8223 249337.1329 674158.3823 396235.6661 798107.6916 321109.4987 533175.8355 723845.7925 472667.9804 1047069.554 1214995.967 565236.7944 463941.9982 306184.4959 2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid 624825121.4 598065685.9 598036990.4 590448415.4 797387183.3 773150503.1 1153586524 883515558 751164839.4 1024700253 704841386.3 530435924.7 601718735 671595023 2'-Deoxyguanosine 5'-monophosphate (dGMP) 126656152.1 102751012 88829692.58 100469359.8 148533964.6 150087805.5 130373621.6 152416461.2 142780016.4 170087877.9 176658451.1 185735644.6 165624392.7 134895439.8 2'-Deoxyinosine 72864.56312 69168.42727 66163.76709 67287.8785 104149.4123 118800.61 98064.3723 93283.90115 96037.90658 84258.36808 80020.72998 107424.9223 91689.95744 89142.74136 2-Deoxy-L-scyllo-inosose 18917331.25 9881669.852 43225765.04 17515360.29 74141566.75 51557280.82 30969371.07 14663896.58 89908736.47 133398267.2 20320565.26 47126124.08 10582292.56 19430744.14 2'-Deoxyuridine 906827.6439 584591.9225 1123032.716 875575.0669 3929506.345 1186285.529 1746848.056 1132561.561 1121373.954 788774.6446 965032.2933 1337804.866 873728.9569 1109312.977 2-Diethylaminoethanol 1903612.599 3569723.317 1932123.587 2557142.723 3106747.327 3523730.478 2809524.082 2908202.95 4062396.259 3868649.047 3435468.43 653072.4923 4597386.459 4831317.373 2-DIMETHYLAMINO-5-NITROPYRIMIDINE 288162.1214 305169.8606 254599.1932 293409.4368 283075.9602 149862.7468 171932.2236 373519.2118 171357.6037 269379.1928 750366.3784 360688.5969 209601.409 148248.8828 2-Ethyl-1-hexanethiol 296312.6127 296788.5387 371153.7388 384177.6702 466024.9356 396701.732 383112.6233 398333.2744 452116.6758 451145.6538 501292.2139 507084.0267 416615.9196 480656.5776 2-Ethylhexanoic acid 13891353.99 14064632.45 13937589.65 14264848.62 37895131.19 29996402.57 29945212.34 26922660.02 25891868.29 24972915.91 25978470.94 29196625.7 28216155.97 30688590.02 2-Ethylhexyl sulfate 1095573.941 601636.0693 1241629.575 550901.1699 2319133.448 1473829.141 913179.1619 600985.3652 1373486.581 626243.8614 1061377.197 1545429.714 407609.2835 546172.7393 2-Fluoro-5-hydroxy-L-phenylalanine 50992908.05 101001232.4 140777123 175020318.1 370255774.8 285077164.7 293865539.6 165652131.6 308134681.2 293081758.7 328062272.4 361165030.5 176646115.1 163973859.5 2'-Fluoro-5-iodoarauracil 6227356.643 4580111.256 9009395.232 6149989.52 5161280.235 4587213.153 3075209.743 3746003.987 6035177.921 8938234.555 4788454.887 8715989.473 5975480.511 11433671.48 2-Furancarboximidamide 266028.3584 387646.0151 283400.7093 376564.0526 208325.1679 176942.5465 181103.0376 1456039.568 171736.116 1874604.417 2687136.488 173064.1206 162150.4454 163279.215 2-Furoate 1348269.718 609213.7984 1643789.06 1025158.485 702185.6745 653233.1055 1705414.568 1171027.479 335955.0698 359183.0608 1797971.158 693706.1206 232030.5134 508275.5722 2-Furoylglycine 266694055.2 270774372.6 270366455.2 280554493.2 462560030.2 437006056.9 203321950.7 216764181.7 362454943 324302179.9 337461857.1 326837937.6 244833422.2 218138098 2-Hydrazinopyridine 1103905.925 1112975.917 1179637.164 1200376.127 1523498.369 1367198.934 1516777.243 1574636.709 1503491.37 1873849.865 1657095.452 1647300.389 1427694.711 1397503.835 2-Hydroxy-1,4-benzoxazin-3-one sulfate 51656.62685 65587.72805 79441.78588 86971.19141 60040.93229 55957.40619 41853.80462 47296.2144 45854.12983 45818.92542 87773.47389 50487.38211 110622.2777 93165.62145 2-Hydroxy-6-oxo-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triyl triacetate 70921.79082 34255.28288 45246.47923 43006.62221 60378.89514 53854.34593 73568.4416 45652.86089 44966.10376 39342.43301 52941.18147 54096.98296 36305.92247 37773.02256 2-Hydroxydodecyl methacrylate 15962308.93 10184777.97 11843363.69 10600754.6 18617014.52 10994251.39 18270416.72 14642231.59 22322640.56 18457969.91 16219991.34 19430380.13 14550219.56 12473168.99 2-Hydroxyestrone sulfate 2602552.047 1858413.72 1740916.831 2051290.669 617201.4614 536040.8446 568597.2022 436261.0013 587030.7908 522667.6022 1027920.854 767741.1137 939959.2533 498122.8595 2-Hydroxyethylphosphonate 30656905.35 20396116.15 42911171.7 43206960.15 119150801.6 100430746.9 124216671.2 83525874.8 115192484 78889626.22 38885640.14 55102121.13 39958981.63 48865653.51 2-hydroxyiminoindane-1,3-dione 5965155.325 5788325.578 3778605.506 2596876.487 4732175.917 3365705.992 3518466.7 4796802.669 5940198.673 3323272.738 3623387.175 3123136.469 2789617.535 1611777.049 2-Hydroxy-L-methionine 5621142.598 8847315.936 77741427.64 51029453.95 15402492.83 9089834.9 13218524.76 7380602.102 9641159.35 8131777.233 4576264.467 6221846.358 5183744.484 5969356.388 2-Hydroxypropyl octanoate 3856421.394 2072858.479 4182605.396 3490235.98 11570909.71 6099524.084 6156505.017 5016720.377 5462281.997 4788351.743 5822515.904 6893868.005 3663981.939 4151356.031 2-Hydroxypropylphosphonate 47586180.65 22325900.74 62749493.82 37755926.39 30814702.23 24629150.59 33406052.65 25426580.85 31005171.16 29051289.6 43079584.91 52876946.56 15095399.09 20746490.21 2-Hydroxypyrazine 4658505.705 4653497.25 4592966.693 4463989.746 6400291.993 4896220.048 6065887.417 6060341.609 5811017.778 6635930.148 6135823.894 5413264.973 5957091.059 5976899.82 2-Hydroxypyridine 423658.3975 453604.865 517596.2523 500975.7312 540747.1653 559480.9363 564198.1128 520634.3903 573619.0711 534266.269 551764.6035 510859.9442 542408.0733 560980.6378 2-Hydroxytrichodiene 4271488.963 4130192.715 4697097.182 6725282.322 6771163.649 5884840.773 7764380.758 4225104.71 8099622.426 4059451.057 13914820.65 9688138.693 5241049.99 4768437.298 2-Hydroxytrtradeca-4,6-dienoyl-CoA 114552.399 97026.43727 137316.2053 117760.0904 535619.5902 1364456.901 689018.9997 774277.5498 180458.2367 213267.7303 121158.4022 137896.0212 169863.4753 88036.06671 2-Imidazolidone 238797.0516 237262.8479 232120.6174 310061.4981 343436.1693 331989.7254 371290.3159 394589.7169 333900.9638 503156.922 742308.2835 337717.0573 277154.1004 266175.0791 2-Iminoacetate 989845.1463 998565.5874 979667.3232 921927.1431 1077677.626 357750.3159 738062.5894 1652573.494 593739.8525 1657902.563 1557519.525 1008207.223 863693.9111 527629.4228 2-Iminosuccinate 2253499.038 2094850.206 2064828.038 1929868.311 2125686.344 1512431.027 2044729.934 2026255.083 2026026.686 2715038.295 2294421.378 2271340.291 1416009.387 1564351.032 2-Isopropyl-4,6-dimethyl-1,3,5-dithiazinane 302263.3616 320465.4698 346147.9619 366161.7615 460151.2898 274220.4299 183768.6648 429510.2718 477220.0786 180245.3128 120696.9578 437881.8046 425053.9494 298415.0526 2-Mercaptonicotinic acid 203441.2198 166558.0811 242198.0825 200278.7307 182068.9292 183812.8004 164649.5212 161046.2667 176069.1673 177610.2848 193972.1983 211329.2079 152520.0638 157021.3963 2-Methoxy-10H-phenothiazine 48948168.33 52264310.52 49146961.55 43246466.81 26150517.57 34703136.14 15627522.43 19407127.8 22586921.62 21310588.08 42077225.07 47642085.29 40166143.62 31788758.91 2-Methylbenzoic acid 530654.1868 1191522.13 497821.8324 683724.1548 307993.6176 614760.9103 393508.4247 316489.8713 173323.6248 244353.6608 96038.44752 79601.04405 203579.3637 63815.26772 2-Methylbutyl beta-D-glucopyranoside 3374024.534 2484575.241 4329580.799 2809595.775 5118205.632 6098582.324 5066848.36 4422819.224 4224172.553 3311343.336 2534261.717 3684015.421 3854262.91 4483327.337 2-Methylcitrate 31755.77375 30096.30209 27087.9944 30811.11024 555988.5809 90735.39067 140262.0984 717301.3417 114844.7737 167838.4575 188104.4411 147482.0972 165806.243 243260.5616 2-Methyleneglutaronitrile 121880.9468 87326.02244 157579.2943 74021.02785 827113.552 162498.7011 132048.097 192576.0581 199621.4758 241230.5932 322403.5702 349907.1177 97337.24976 134385.8757 2-Methylhippuricacid 7216459.31 3488698.811 3862523.098 3232410.182 13690899.07 6394104.827 3747755.837 2831586.311 6496071.943 6733348.324 4802816.763 6755337.32 2600310.735 1991698.97 2-Methylnicotinamide 145042.8923 117072.9749 143108.9892 150768.9157 138537.4405 121601.8069 137855.9409 356898.4019 137011.5428 189301.3017 164781.5825 136245.4472 116728.269 116714.5298 2-Nitroimidazole 132544.7122 123042.7562 121827.9955 116855.9788 182770.4781 160427.5372 181871.3854 158250.1323 180757.3829 174952.6663 209178.3545 179746.6839 153997.9479 153979.8219 2-O-Caffeoylglucarate 1497407.072 821558.2422 1477845.576 1407940.827 1707806.37 1676911.928 1658778.974 1785568.561 1028301.259 1758572.07 599175.7662 1846495.683 465872.3602 420427.1472 2-Oxido-1,2,5-oxadiazol-2-ium 13392042.79 12057615.38 12055068.94 13242885.73 18250214.18 18500493.19 20548143.83 19250494.52 21314507.7 17839086.29 16135166.22 19055272.65 20066663.96 19613214.55 2-Oxobutanoate 24101997.39 7969479.463 42174455.32 22426749.5 95813815.37 60247344.63 33927405.41 15902448.52 76622703.58 107640565.8 44904061.58 61563860.44 16199659.21 24493941.53 2-Oxoglutaramate 78488.31166 101302.2676 115054.555 155654.598 283515.4773 250228.2796 313484.4246 309630.8842 308597.2594 307941.694 325716.9389 335340.0155 342241.2638 339781.5727 2-Oxooctadecanoicacid 421428.6227 424386.8683 375303.2671 1038833.598 1018946.698 700192.3792 3087331.228 933637.5285 898769.5699 500791.6183 926898.9576 514081.0437 2515854.82 440876.3098 2-Oxopent-4-enoate 10988607.43 4718028.551 22505145.04 12307347.43 51246162.73 47676087.69 17004565.57 8429436.726 45579617.12 57173497.13 14347952.72 30902811.42 7936214.554 21124824.77 2-Oxothiazolidine-4-carboxylic acid 2645061.454 2078879.899 4961440.393 2227712.622 4920904.941 3780647.631 5587475.681 4178492.835 6614675.094 6886621.89 7983947.496 10326270.33 3387671.013 4208780.792 2-Pentenoic acid 96240143.7 117619481.4 155550394.5 183987974.7 287865735.6 254693080.5 134566808.1 247997701.2 319292484.9 292249199.5 590125571.5 677955381.9 243278805.3 209606731.7 2-Phe-8-orn-oxytocin 2556880.862 2240918.113 4942381.527 3175109.065 3381186.994 2408644.626 3785866.5 2761851.313 199409.0909 2197830.715 139493.2266 2125388.221 130250.1257 2399374.659 2-Phenylpropionate 436070.6173 1102107.03 450518.8263 447203.5477 535016.9358 1658036.452 546794.2803 2670076.594 1005180.884 2034020.472 556492.9437 2804975.736 2182916.011 2188516.948 2-phospho-D-glycerate 738577.2732 92963.41526 181310.607 326132.7813 39093.24467 37296.59557 33814.40846 35741.17286 35597.1064 36819.79757 39545.44838 37080.68548 27995.81288 28318.85486 2-Phosphonopropionic acid 3347149.532 10811585.48 6976512.782 7348787.28 3835986.472 5898162.148 3657046.753 3699026.712 3311243.942 2608261.476 4845994.855 703108.9325 4774098.927 8036824.408 2-Propylthiazolo[4,5-c]quinolin-4-amine 2551880.465 1072092.15 3607577.972 3234852.464 6363012.342 4579431.918 8200830.265 4800171.014 6171673.215 4505391.079 5295626.924 6435197.374 1620743.109 5821294.66 2-Pyrroloylglycine 397249.9216 351975.7811 295908.3183 240920.2538 692264.2979 430874.9783 647625.3798 454851.17 559859.3363 170608.8312 422717.0237 789030.5437 658673.4179 497145.5828 2-S-glutathionyl acetate 60275138.25 45159226.03 64907910.5 52473778.51 63926647.16 52157456.36 29929245.11 31535267.86 44088566.87 20645015.58 46664207.51 49776119.63 27793381.58 25314668.79 2-Sulfamoylacetic Acid 35650505.66 25352734.96 17909390.38 13168828.15 25951761.13 27376360.44 39427369.74 34252294.06 35474570.01 33005082.26 35490540.68 33793026.94 29921551.44 33949747.9 2-Sulfosuccinic acid 13408533.93 1618628.105 2493601.307 5207656.207 14935293.01 5723241.697 12923636.55 7292373.468 14547376.63 10434391.37 10806404.9 8466361.545 6189157.639 7111455.319 2-Tetradecylglycidate 3672171.335 1884802.742 2252210.669 2753949.128 4121923.645 2510056.545 1788726.566 2938140.877 3918128.617 4007965.124 3491518.917 5088422.05 2862383.027 2566121.054 2-Thiouracil 1008891.62 845517.9035 649380.9743 706755.3424 303250.8148 216219.018 271696.1398 179478.4472 196581.0799 173009.3109 380882.1842 231021.9334 373730.8687 326691.7826 2-Thiouric acid 814917.4476 2022289.033 578579.778 693293.2173 831849.8309 522221.9627 366714.929 226400.0239 198879.0345 197852.3225 152202.2232 145538.4374 69229.97705 95008.50665 2-Thioxothiazolidine-4-carboxylic acid 19422.46148 18106.34259 78280.34516 94017.92855 25553.27551 23200.75528 23569.21109 25665.23748 24609.34073 27054.69788 26789.3995 23974.7639 21255.21799 23393.94597 2-Vinyl-[4H]-1,3-dithin 42727346.12 29550604.62 71814984.15 52771263.59 23434020.08 17623412.79 4846495.585 5160067.707 23258573.41 27422502.66 7907833.752 7333299.724 11518939.85 10829699.04 3-(2,3-Dihydroxyphenyl)propanoate 25075577.9 14365351.25 16415994.62 12419321.78 12039244.63 8244931.03 25520263.75 17705753.24 16716590.56 16982770.25 17477140.84 22086433.79 11515975.95 15098983.27 3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione 385418337.6 380796344.4 436385800.4 448031989.5 377443979.4 417200326.9 463620837.2 500170422.9 463351201 417208125.5 446562778.8 444730575 486676368.3 503376119.2 3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one 2286746.753 6000303.035 8171471.143 10010835.68 24181645.88 19385631.33 10198179.18 4524623.451 15226330.11 12739249.27 15488565.61 15114904.32 5809829.496 4963586.057 3-(3,5-Diiodo-4-hydroxyphenyl)pyruvate 142343.3018 5108600.43 1213609.303 630996.413 1937871.042 1655568.622 1931715.357 2589797.401 5332752.746 1728638.218 1498065.291 666567.8222 6161849.581 6526641.57 3-(3-Hydroxyphenyl)propanoate 7662531.888 998960.2384 8815978.001 7736703.939 30235094.87 1203611.546 25603885.77 16159934.23 19063993.5 15535574.67 18992616.15 6222714.455 1283467.219 10441828.3 3-(Dichloromethylene)-2,5-pyrrolidinedione 936461.7349 1012254.71 902651.4472 408508.4188 983363.5587 474545.9957 960655.909 1163261.896 1167494.399 34885.567 456701.6436 62358.99778 126845.2392 56362.208 3-(Methylthio)propanoate 1979829.156 2429623.354 2435830.872 2262431.499 1397481.73 976552.4775 1463785.558 1397595.891 1264196.588 917290.7012 1162717.404 798000.5312 1093274.275 1036926.373 3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate 143480.8759 77531.40962 109942.1546 83403.9266 113187.0125 89820.66005 114388.6279 81574.56642 88364.07441 84382.40747 98763.36825 161295.9572 72202.5042 74895.1178 3,3-Dichloro-4-(dichloromethylene)-2,5-pyrrolidinedione 3778504.738 7594381.211 6102487.101 9721445.774 8737473.614 10054980.66 6027426.165 10615659.69 10496187.26 4273112.246 451045.0674 2813088.623 485904.8798 2160426.972 3,3-Diphenylpyrrolidine 1252802.587 193568.0828 228157.4372 156808.8975 366863.9246 589362.6079 653117.0455 251907.1548 1317415.089 1589476.005 225917.854 415517.6677 146085.9798 157207.4109 3,4 Dihydrocinnamic acid sulfate 2805079.229 2201527.575 3118551.729 3277761.304 3352329.274 370387.7943 2859367.405 3583520.735 477882.975 3089786.177 343711.8241 2827111.933 133990.0973 647648.6941 3,4,8-trihydroxychromen-2-one 89601819.11 53897489.21 138637996.2 75417850.59 130456188.7 96737187.39 68188727.14 26997107.53 87473359.4 98881924.49 90729357.11 90391741.94 50329220.02 29842369.11 3,4-Dephostatin, Ethyl- 2546686.824 2695726.109 2280381.599 4594747.105 12825486.74 4051171.836 8874100.501 6628528.685 5835507.464 5645439.182 5000143.704 4330197.853 4537684.102 5993970.618 3,4-Diaminopyridine 184876.2838 846961.6433 505358.1237 559476.7926 339778.3857 676324.9416 204811.9862 405139.3086 202921.7477 204667.9065 169175.5843 184024.4902 60242.29237 71628.06029 3,4-Dichlorophenoxyacetic acid 17528992.1 50729828.74 48716785.27 62317861.26 93830366.8 136831303.3 103281026.5 82652404.1 99396053.31 99900869.51 395749341.8 252311802.5 86584324.43 70260550.34 3,4-Difluoro-2-[(2-Fluoro-4-Iodophenyl)amino]-N-(2-Hydroxyethoxy)-5-[(3-Oxo-1,2-Oxazinan-2-Yl)methyl]benzamide 626479.6596 433120.93 739244.0243 606502.9072 4129953.878 4315314.458 5187775.878 2645425.514 4656783.453 6228128.983 6437833.655 8282037.076 5846783.908 5212160.598 3,4-Dihydroxyphenylglycol 23228287.84 19065888.79 26240140.69 24011576.33 28347597.79 26318750.03 47676637.94 33010901.73 28029779.07 37775136.65 26150491.66 42270557.97 22113443 22670788.71 3,4-Dimethylbenzoic acid 11738940.29 7465427.054 11138686.31 10954477.21 45269781.32 2594083.424 4493222.869 32550699.15 29761741.5 26041242.11 3606822.873 42194165.79 18098265.92 20242011.06 3,5,6-Trichloro-2-pyridinol 49948.80231 18453.76034 74228.00988 42073.49779 30468.66686 30381.33161 26598.57391 30006.04064 27840.01681 29810.65216 28767.70766 28656.59648 22964.48181 22225.89 3,5-Dibromo-4-hydroxybenzoic acid 189759.6566 198807.4344 74153.66965 93741.21678 21829.85715 22040.16425 20920.48068 20268.63816 22019.04469 20682.20441 19882.23104 20777.35503 20476.25415 20958.62867 3,5-Dichloro-2,6-dihydroxybenzoic acid 1207541.021 1950175.787 1415408.306 3324091.015 7221343.609 6907835.536 10820201.84 12029651.04 7370338.856 7483082.229 11403405.48 18532352.93 4451893.405 1183647.38 3,5-DICHLORO-2,6-DIMETHOXYTROPONE 534065.3622 344690.5602 449409.23 499415.225 893005.9103 629074.6935 900218.6945 678149.4493 717484.483 604060.4683 1258588.227 916139.9538 350789.6305 474838.8478 3,5-Dichloro-2-hydroxybenzenesulfonic acid 99887.18055 91761.39611 93165.24602 100772.0493 165731.6861 146169.9202 139552.7409 149077.2067 127542.87 138176.2472 139259.9495 129418.9556 122092.2151 121944.1864 3,5-Dichloro-L-tyrosine 630505.4452 463915.4354 779826.309 689928.4607 667143.4562 558925.8311 2937085.487 1597509.292 1508246.649 3186663.331 7338902.913 10361446.99 524256.6314 2447687.323 3,5-Diiodo-L-tyrosine 1431338.181 2144072.704 1084509.841 1754409.796 1758530.81 2423074.533 2131549.675 2116802.876 5425828.449 1728638.218 4217581.098 1056676.77 6161849.581 3485601.883 3,5-Dinitrobenzoyl chloride 1134692.495 385153.3913 646773.7306 487043.6644 536332.9631 511162.5229 330504.4658 777052.927 502293.3652 589109.9293 416246.7381 1534072.269 211758.7458 157434.1813 3,5-Di-O-galloyl-1,4-galactarolactone 8854597.12 4802676.923 4687748.271 8100843.555 1130736.283 938998.239 1242450.1 1034530.094 991646.6378 1096228.146 1056711.019 1391048.886 843309.9736 1000906.207 3,6-dichlorocatechol 5708561.515 14897949.03 10685219.89 18300757.13 32853309.18 41546463.74 30681181.93 41342644.14 39713554.2 38665079.24 32429619.53 31514546.45 51083032.06 49416832.01 3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one 72425348.94 170176718.3 98491006.13 96415085.41 117211910.4 187356914.1 123713755.5 230019948.5 186055925.8 275777408.8 137187695.7 160944149.2 279713259.4 260307308.6 3,6-Dioxaoctanedioic acid, TMS derivative 3204356.781 4128810.699 764537.2199 662733.7879 709652.3344 714187.9497 709657.4727 698909.3652 3358840.348 702137.0589 785366.7194 616319.544 545584.1867 535549.0704 3,7-Dihydroxy-2-(3-methoxyphenyl)-5-chromanesulfinic acid 89221.82296 27868.84618 397274.9308 265041.8237 213535.4645 160485.7311 35150.66082 28877.75115 202528.0116 193460.86 467834.4404 525272.9347 293656.0398 304631.8859 3,7-DIMETHYL-10-(N-METHYLPIPERAZINYLCARBAMOYL)-(E)-7-DECEN-2-ONE 4287575.399 584777.9117 3788250.311 2733389.966 641630.7958 1067286.105 3718255.054 2546131.54 2837898.207 2870483.034 3905456.727 1658005.724 1500353.999 323921.5505 3,N4-Etheno-cytosine 11128.51622 10169.80857 10950.62861 11276.90031 17931.26875 15646.33316 15325.08996 17032.403 14117.78492 15071.97326 15475.89695 14212.28882 14831.53043 14087.01828 3-[3-(Sulfooxy)phenyl]propanoic acid 253989.2512 159548.4743 285023.5099 336861.7778 448320.4582 189856.1433 331486.0722 390419.7463 510553.48 314122.3165 258824.1856 463065.3931 170937.7686 198477.8901 3_4-Dihydroxy-2-butanone4-phosphate 2584487.037 2654581.342 4569606.279 5875957.623 26580687.61 20954276.97 19306129.6 18166618.87 28033121.89 24918899.25 33145696.89 31425220.65 14871820.47 17392081.85 3_5-Dihydroxy-phenylglycine 3139421.084 249382.1086 638254.23 571077.9873 758236.2802 1514992.887 1017063.718 498998.8165 439373.8391 584368.585 1386593.979 523361.1679 513106.1646 438720.8595 3-{[(3-Amino-3-oxo-2-phenylpropoxy)(hydroxy)phosphoryl]oxy}benzoic acid 17763819.61 11022202.98 19251148.52 15145260.55 21389636.25 15909376.56 17002107.23 7225592.618 20169682.68 16179413.26 19941683.11 20879741.68 5009820.608 4543574.26 3-{[5-Deoxy-5-(dimethylarsoryl)pentofuranosyl]oxy}-2-hydroxypropyl hydrogen sulfite 107427291.9 124460101.4 144665668.3 158197765.7 139588749.3 143853318.8 172219983.7 199203264.5 185086022.1 173424444 181351959.1 188839678.9 177088871.6 191695771.9 3a,7a-Dihydroxy-5b-24-oxocholestanoyl-CoA 3889565.686 1652133.208 4249509.625 3688515.377 1626870.633 1230248.816 3695773.073 2672026.038 3597403.236 2038552.771 1304632.465 3648818.912 1743326.707 2704663.865 3alpha_12alpha-Dihydroxy-7-oxo-5beta-cholanate 1102290.405 1191504.803 1062492.991 942516.7049 1157497.605 737894.1903 1130768.884 1369252.345 1374234.34 1310371.477 1038144.981 1266119.446 855382.6224 1040834.831 3-Amino-4-oxobutanamide 8955609.961 9859802.953 9138538.471 8846287.517 10605721.29 9262878.957 11191630.97 11197610.11 9572732.131 12441732.35 6287909.506 10675004.12 10662277.13 4605673.183 3-Aminopicolinic acid 323824.4587 208131.3542 759484.5301 666343.7198 243849.1627 194741.6525 191374.3798 167166.2834 432541.2671 307759.5227 555290.6792 407948.7019 259615.6074 474851.4402 3-butenylglucosinolate 284656.6985 438987.1507 271203.6087 291924.015 342089.9348 350106.6886 356934.5157 342169.8432 348554.2258 869078.4625 363265.5763 338823.256 456290.0517 350191.3779 3-Carbamoyl-2-phenylpropionic acid 16469909.66 12267967.62 43076688.4 33996180.39 6403020.526 6819689.306 9185744.167 13159741.26 8473583.147 5855256.901 24843524.08 19974718.1 7466519.662 9483310.226 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone 14765730.99 18012779.33 17008873.44 17429493.77 19523581.31 21596623.6 20621585.86 24363587.12 26807188.22 19618339.59 23250639.91 1018438.217 28862370.15 30966622.13 3-chlorobenzoate 798839.9514 1383800.149 2409037.2 1257104.687 1806759.239 1917840.089 2491404.359 974438.2011 3739751.422 4461133.706 3014837.816 2451656.502 2550483.528 4308939.7 3-Chlorobiphenyl 2557269.954 1032208.999 2695775.403 2576107.26 6891028.542 6123628.227 378850.3859 4485521.46 5402393.868 4408658.45 2867357.134 2805526.094 3190693.51 4298518.643 3-Chloroperoxybenzoic acid 80061.74974 76638.76757 75989.79806 75553.00858 380843.0425 148433.3072 573290.8734 436519.0222 1516431.823 2059032.396 4025359.493 2714922.017 236854.9593 133414.6601 3-Chloropropionamide 306522.4967 112134.3185 257236.0919 212036.5769 880795.1132 529275.2696 141236.3769 80136.08608 568081.5645 497758.992 231467.4861 340504.8055 25751.52359 27493.66398 3-cis-Hydroxyglipizide 216571.5232 239098.7788 332320.3864 306395.1628 372868.3026 312111.538 264758.6158 315000.4988 340326.6437 329594.082 436846.4453 453231.2025 372370.8977 390764.3445 3-Cyanopropanoic acid 45504935.21 49257537.22 44519032.6 43220000.48 86331187.84 84754460.65 80364050.81 78893102.49 79361522.2 78516173.88 80071530.23 77013594.86 77872252.6 76090206.43 3-Deoxy-3-fluoro-D-glucose 32350223.85 32447762.82 397775.1518 399850.2811 8838121.161 5648016.989 15096662.93 4362873.389 871998.9036 772845.9418 487435.4192 484575.6718 412630.2427 467370.1963 3'-Deoxythymidine-5'-monophosphate 261332.0974 167965.7045 552553.7559 333269.3138 210205.6923 157159.9771 149348.5152 134906.1637 195127.0671 167188.4755 275886.6723 342230.8341 115951.6722 129449.8563 3-Deoxy-α-D-manno-octulosonate 100379.4892 77472.19774 72295.11695 73523.39896 113800.8652 126267.9007 106894.7816 101928.4548 109373.0095 96918.30613 86007.86103 121838.1232 100186.8014 96950.79937 3-ETHOXY-6-(1-METHYLTHIOMETHOXY-5-METHYL-4-HEXENYL)-2-CYCLOHEXEN-1-ONE 1955613.786 1151661.133 755777.2127 581852.4413 644016.3806 297244.2855 500990.6793 199411.4565 570185.94 249470.227 1430572.369 465689.5715 383768.2675 296435.2143 3-Fluoro-2-oxopropanoic acid 9429184.481 16503639.69 11930614.59 19516188.63 39070253.29 49375131.66 34384942.03 47409697.74 44470128.8 44394771.6 36952351.09 34061248.93 60243907.24 56089067.95 3-Fumarylpyruvate 10338667.43 11942535.25 14539275.41 9729628.649 6080894.571 6595097.581 7347025.689 8645855.758 12294958.07 8835537.066 9161015.321 9028990.026 7285392.719 8390491.14 3H,4H-3-METHYLPYRRO(1,2-D)(1,2,4)TRIAZIN-4-ONE 2206473.968 1816456.453 1942508.05 1984108.99 1620406.757 2733809.388 2354213.691 1367343.178 3143262.529 1835523.376 1234514.875 2525615.261 3011817.277 2341304.305 3-Hydroxy-3-phenylpropanoic acid 1368429920 884209299.4 1351803607 1353498889 2361536269 2008402579 2022074834 1672230040 1735236074 1533021232 1801243696 1612112911 1219679338 1329186234 3-Hydroxy-4-aminopyridine 284455.3148 275430.9512 271809.6796 270218.8429 335594.4727 358353.8314 322738.5283 327500.7365 333146.0275 315983.6775 359254.338 318435.4778 310377.0085 297839.0194 3-Hydroxybutyric acid 600511546.4 315501825.4 1042046364 711722554 367989851.8 246860709.3 379689467.4 303786137.9 389018211.6 431766314.5 682468745.4 821180002.4 125772885.9 185319046.5 3-Hydroxydodecanoic acid 1027383.41 1027144.75 321236.4543 641337.8321 1063136.805 1389799.69 1088755.224 543161.3549 767344.5661 149508.9853 1187727.872 664101.1714 2970152.482 1613797.43 3-hydroxyguanfacine glucuronide 11023807.67 13791753.85 16162339.83 17512017.52 2857200.606 16545998.19 3364380.017 22027425.79 3899578.064 4124753.483 5272312.975 5782573.199 20299006.93 21429408.27 3-HYDROXYMETHYL-2,5-PIPERAZINEDIONE 98499.21235 93524.77275 121049.0895 92288.12876 267560.1699 296864.226 272185.0237 209615.9335 210546.3539 216059.3485 393598.5812 315838.4718 381148.6197 398778.4811 3-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide 110280.0167 105341.7003 127790.2907 121233.0561 159713.9492 141030.8431 126839.0186 125087.5946 155542.6334 144992.5615 184121.999 188862.8807 127694.3393 120388.2652 3-Hydroxyphenylacetylglutamine sulfate 68748.45535 60538.85439 57818.42006 58014.71985 90215.23818 86264.49202 96524.73807 75956.75788 97196.18023 70630.8774 74160.93754 96652.71094 82807.19743 82392.12945 3-Hydroxyphenyllactate 12401601.57 12343769.65 8241868.996 12604336.64 19231811.83 39766580.53 40136553.17 50401390.99 41927199.77 50957242.53 66879361.71 81586864.74 35200650.03 40574586.63 3-Hydroxypicolinic acid 19469962.47 16706597.72 31113258.74 21378024.66 41379923.53 36646265.05 132356885 51485185.64 62220457.02 99036970.27 43846485.25 74298021.3 24574841.51 28753787.44 3-Hydroxypyridine sulfate 450065.9083 148724.7012 303546.5517 123274.4471 2274523.276 1209664.036 643515.1184 540665.6699 851047.2463 705145.6773 361121.5294 637828.2229 275084.1299 295128.0964 3-Indole carboxylic acid glucuronide 20372833.42 5840929.444 36437755.79 20474361.23 13510876.05 6156538.507 16624701.54 6690325.677 11489120.71 14965290.01 3181830.966 9693762.726 2450890.933 3324245.473 3-Indoxyl sulphate 96871882.79 43931310.65 99083488.75 65577335.02 361660142.2 241369121.1 55869053.44 45905974.92 107211405.3 103556009 173127264.9 223468141.9 43611899.17 50742085.53 3-Iodopropanoic acid 52207.93734 49559.63176 47406.77304 48212.20623 739008.5352 966173.62 2376592.435 331717.3406 1181285.557 1671335.442 3640599.548 2988555.088 341920.989 175696.3169 3-Keto-b-D-galactose 219485.9421 288944.4102 375503.8951 399991.4925 635413.921 447873.1487 529817.0628 459183.5362 424298.3194 329519.3522 512857.225 451172.5613 329515.6956 452710.4194 3-Methyl-1,2,4-triazolo[3,4-A]phthalazine 268003.2178 221467.3142 266874.6295 263007.0888 275169.4913 51145.02748 52872.10944 311065.014 41555.09704 277077.1289 297612.7188 327139.8288 39699.7092 38596.82138 3-Methyl-1-propylxanthine 240658.3443 302391.4113 318340.9575 302687.2965 436696.7169 320190.5491 388221.6244 397431.7462 366863.8793 395059.7899 458463.2514 437969.8525 471899.2536 427254.2245 3-Methyl-2-buten-1-yl hydrogen sulfate 2085084.343 4641101.861 3440164.957 3512174.931 9429345.865 9152021.411 5516417.729 7576976.39 1914286.363 6441895.864 7258036.377 7945357.288 5542236.31 4834243.682 3-METHYLADIPIC ACID DI-TMS 7868790.262 2723603.171 7584224.651 3442589.458 5239995.658 14379158.56 11949722.93 3026795.955 11654621.83 4733032.704 8795955.324 7447910.558 8564781.091 11549988.94 3-Methylcrotonylglycine 2332730.731 1293671.759 2877546.414 2258598.91 3245039.124 1945573.568 3399712.972 568203.6005 2687739.841 1890049.786 3033433.32 3349808.347 2259846.56 2227425.981 3-methylhexadecanoic acid 854495.8294 632310.2543 1077067.966 1038864.046 1275821.043 813324.3049 1246360.019 1509222.09 1514713.362 1444322.214 1144267.778 1395546.586 942822.8137 1147232.593 3-Methylhexanoyl-CoA 298284.5738 298763.6671 373623.7678 386734.3735 469126.3326 399341.7829 385662.2387 400984.1832 455125.5133 454148.0291 504628.3147 510458.6721 419388.4995 483855.3483 3-Methyl-quinolin-2-ol 1791038.609 1444836.239 2426238.566 2188733.858 2454061.909 1806927.164 3297448.57 3471722.156 1898611.403 2152883.347 2957953.146 3108437.645 1538164.878 2108762.147 3-Methyltridecanoyl-CoA 369068.7167 302310.5566 347558.0143 329691.696 394466.5321 286755.0242 340406.6887 351539.7358 287124.3816 363215.9125 225094.9132 357915.7311 233610.6241 266721.839 3-Methyluridine 428115.3278 442904.1125 543426.4517 546261.4204 666863.0187 555315.985 569227.6121 599723.0435 675175.0458 647560.2848 665917.1622 673611.0131 563720.9555 638504.7589 3-n-Propylxanthine 323493.1773 285620.7382 284820.0947 436397.7899 634377.7579 365013.3486 321520.5935 362735.4128 681252.7247 358619.3608 249107.8568 724160.3467 738244.8788 724409.6054 3-O-alpha-D-Glucopyranuronosyl-D-xylose 2107062.537 1980753.828 1428674.156 893372.2173 191943.2929 571604.0714 162661.9517 231569.0684 183608.9802 162965.8538 188710.8973 225440.8794 408826.4332 232632.306 3-O-Methyl-d-glucose 248847019.3 159142026.4 377075585 315781050.9 194396230.5 143878134.4 214892914.3 175468984.9 358736968 387367050.4 286225957.1 342263876.6 319898219.6 368262433.8 3-oxobrimonidine 37589736.58 17398428.08 28097221.37 35856662.85 9567051.977 3874736.919 14291486.98 5158680.511 5088407.685 6831268.576 6109961.984 12840094.61 1596494.906 2233258.968 3-Oxodocosanoyl-CoA 9538461.219 9570573.748 8852521.015 10025484.76 10357294.91 10032464.9 10148082.17 9688713.195 10228350.96 8242883.539 9593940.225 451062.6594 11014350.43 10889534.19 3-oxo-docosapentaenoyl-CoA 9052260.211 13148168.34 11519380.11 31075653.5 15655329.51 8855232.299 36813286.41 34535602.08 31145453.23 27063421.3 14254898.51 16146908.41 11392600.19 10166442.69 3-oxoundecanoic acid 2781546.94 1382793.102 2993524.383 442934.1402 4745562.087 1131509.39 1554040.025 3083276.161 4075230.508 3112412.225 3536944.951 3332768.619 2798662.909 3338537.325 3-Phenylpropanoate 1662341.934 779939.733 1396080.075 1114498.546 3330664.53 954834.7521 1829907.246 2173684.614 1280258.226 849993.4806 1033287.37 3888873.431 3982723.031 2682840.604 3-phospho-hydroxypyruvate 15034.15255 13924.61117 15287.98234 14716.43296 23995.24553 21138.22577 20240.5272 21955.33505 18750.16802 20943.84873 20469.33858 20834.0758 17817.71797 16657.09763 3-phospho-L-serine 49815747.46 13146207.5 104500770.9 38684828.34 11535494.4 12001433.66 11310509.43 6922461.06 6389566.126 3162030.252 5674350.119 6245278.035 3645593.415 4594380.368 3-Propylmalate 435450.8095 535094.3406 482569.8601 500756.1767 515584.1877 234068.9941 473558.4084 431478.6291 443291.1141 552732.1326 311666.0826 676933.7794 529274.3071 441816.6169 3'-Sialyl-3-fucosyllactose 1215282.011 9895039.931 2423760.769 1792825.449 1386040.174 15605969.05 493718090.5 1343334.639 74590886.38 1427241.156 205566881.1 1464870.588 67281964.16 36873928.13 4-({4-[(2,4,6-Trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile 164477.1505 69132.41003 313083.9687 118811.8634 398989.7738 169069.5146 468366.5688 402832.6871 1094141.695 940398.9579 416386.3199 442500.7327 474320.5392 388354.695 4-(2-Aminoethyl)benzenesulfonyl fluoride 1053652.571 928852.1244 697790.6969 1411648.084 686028.4998 778151.5084 1073473.379 708486.6041 373379.128 165463.1282 251050.6867 243918.5135 249819.4514 104547.7219 4-(2-Aminophenyl)-2,4-dioxobutanoate 4279876.414 2336239.694 2950521.07 2170698.034 3469521.168 2500730.724 4271062.848 3503075.38 3875113.196 3477801.159 4578204.156 5575022.447 2193647.114 2844900.071 4-(3-Phosphonopropyl)piperazine-2-carboxylic acid 966540.7583 315729.5248 522449.9437 604214.3046 1185289.012 853657.7963 1698999.32 606473.2436 973687.6692 693201.9518 935450.4124 924977.9605 323824.2719 264873.3572 4-(6-Carbamoyl-5-formyl-2H-pyran-4-yl)-5-formyl-2H-pyran-6-carboxamide 748372.9547 808063.5505 666500.862 679642.2209 466380.3962 289163.9793 463567.4722 603079.5521 530308.7177 425768.1562 1220304.745 1001461.552 188003.3682 158137.8933 4-(beta-Acetylaminoethyl)imidazole 259685.4098 128799.7877 293550.6447 89667.96226 140684.1774 146690.1267 141652.2166 156301.8198 149350.1577 227119.5457 156720.1183 163010.8621 122734.7278 129212.4208 4,4`-Thiodianiline 700950.9108 725164.508 871869.4229 871199.7935 1501301.287 966654.9663 967484.6882 981923.2956 1105460.451 1060246.952 1090302.568 1083905.844 922977.2716 1045420.389 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 62937.72871 50957.13811 76702.87921 64259.61661 51281.3188 53794.91312 48853.82475 52699.46725 49920.70346 59232.30309 49873.10032 56575.58483 49789.91496 41182.74804 4,5,6,9,13,14,15,18-Octahydroxy-6b,18a-dihydroisochromeno[4',3':6,7]chromeno[5,4,3-cde]isochromeno[4,3-g]chromene-2,7,11,16-tetrone 842843.2784 1872857.174 6650439.493 4519214.826 5171314.088 3867038.091 4501033.165 5680842.556 6889956.024 5303500.892 5477623.48 6375899.967 4672582.175 5148672.409 4,5-Dichloro-3H-1,3-dithiol-2-one 341036.723 686618.3984 2299426.769 2218618.814 1462374.42 2850333.981 1697229.643 2248303.13 3486436.34 992185.1767 1139313.385 562686.6776 1570830.838 1243669.814 4,6-Tricosanedione 2391107.267 2956889.957 2331873.686 1980277.386 2601743.172 3446387.912 2336882.309 2969519.04 2760168.974 830557.3043 3771693.992 796889.8397 6642196.326 6424267.773 4-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-2-hydroxy-2-pentenedioate 226320.1561 136664.3501 210187.4794 202395.9015 314431.9749 289813.2806 311801.3672 241886.8183 231175.7398 232499.8657 240446.6441 198998.8692 188555.6498 202910.2695 4-[4-(Dimethylamino)phenyl]-3H-1,2,4-triazole-3,5(4H)-dione 99252.08436 100478.3709 98359.80324 112351.5429 166720.5171 139394.1089 142667.1456 160402.3246 139127.1898 151914.5267 176237.2956 132180.9014 133450.28 131255.9195 4-[Amino(carboxy)methyl]-5-oxoproline 81511.59243 72867.94646 111061.1264 100887.7411 118004.4227 101703.4741 100522.5866 109818.2647 106442.8169 119002.7128 131379.7514 108697.8371 95507.37667 95508.33934 4`-Bromacetanilide 1125923.916 1478159.584 2746330.222 2736348.286 1775852.648 1682988.208 283022.1559 212326.2337 351036.3559 367946.3885 344895.8261 566714.2967 360764.3464 229943.8771 4-Acetamidobutanoic acid 569325.4235 575508.852 575859.6214 567851.7938 610580.0148 610080.2468 623578.6417 584939.7935 623257.6593 624125.323 603644.0896 600984.9125 577544.514 627750.3316 4-Amino-2-chlorobenzoic acid 67542852.86 33564914.9 51053490.06 65410895.39 35936169.43 26941552.47 50400591.07 26273337.87 21474796.98 19527479.05 20789096.91 25167823.33 9364108.554 4860490.75 4-amino-2-hydroxyamino-6-nitrotoluene 362648.7061 229919.8706 477930.9304 521539.3065 563279.1941 339387.3928 457726.553 593719.2757 541048.6409 829179.9596 748437.3351 654099.697 485212.367 551112.2751 4-amino-2-methyl-5-diphosphomethylpyrimidine 2769010.802 3099492.253 2103842.71 2686354.375 3353634.416 3153494.612 2815940.742 2968858.925 3967893.303 3194430.76 3501862.164 768217.8943 4845750.942 4751823.648 4-aminobenzoate 638183.5331 474487.866 909870.4302 714590.4508 679061.1448 602952.8784 526785.4203 551241.7548 631386.1095 586596.35 820299.1933 914093.2587 676638.8182 707476.7003 4-Aminobenzohydrazide 79272.70263 72242.95264 74048.27675 80375.51986 129751.4578 108819.9977 111201.3687 117925.9042 103232.3726 115501.1293 114648.5076 105780.2225 100680.5579 95256.57981 4-Aminobutanoate 18467598.73 12058325.89 24879412.89 19205251.34 19594844.88 11428296.5 5777909.554 7710847.712 12310922.44 9656649.795 7985982.289 7822361.808 3579643.944 3366996.952 4-BROMO-2,6-DIMETHYLPHENOL 8239812.057 10032338.97 10856883.69 9294085.69 12095163.87 13445494.21 12712362.25 12862233.1 6775320.77 10297498.15 4686637.471 17013097.13 6591128.604 5564136.719 4-CHLORO-6-(3-FLUOROPHENYL)PYRIMIDINE 120579703.5 100981404.3 128594738 117775049.9 157313844.6 137130223.4 254707969.7 175464049.6 145739702.2 192256052 142831080.5 217024691.1 109931201.3 120261671.7 4-Chlorobenzoic acid 496365.9663 714074.3405 506104.6704 492062.9727 576621.9343 1456160.869 593929.0038 2620743.486 609598.7096 3853722.207 612315.2948 2813026.166 3420925.284 4434236.773 4-Chlorobiphenyl 141265.8141 181111.4896 141695.1419 334658.9264 21408.95148 22219.44638 21683.27564 21049.6399 21594.49126 20809.70473 21817.87933 23580.26711 23588.97991 20554.52133 4-Chlorophenol 874612.0269 504570.211 278166.2805 352042.8553 349157.5608 1078971.87 1351744.918 1052447.137 895734.2063 202020.0423 2784168.416 871017.5584 57720.23811 600848.2394 4-Chlorophenylacetate 204530.5345 249531.6375 334186.1997 254077.3563 151998.6595 161018.3938 322208.7684 187225.784 106297.4872 225765.4985 96495.70311 164074.6723 207118.1382 81930.05726 4-Chlorophenylacetic acid 50020.82778 46652.81614 50134.41648 48797.08022 77015.42063 73475.94246 66615.87988 68925.49986 69845.17204 72536.62931 77906.28193 72384.81192 56974.05419 55789.39628 4-Chlorophenylurea 77260.55665 73244.26399 103821.9678 92905.71369 86176.52151 93572.27802 79405.731 82431.21317 91762.48233 86311.92422 80927.35135 99804.60024 175060.332 65407.05716 4-Chlorothiophenol 9709475.263 15563374.22 11245948.45 18880757.32 34639920.28 41550507.03 32378522.7 41643797.93 39437618.92 38066717.5 32559575.06 34028874.86 48835207.05 49450870.19 4-Dodecan-6-ylbenzenesulfonic Acid 5765846.413 3561644.647 2860325.533 2342111.489 1193890.233 1133140.772 1002427.05 909013.987 903357.4643 871107.0955 591839.7995 532181.1803 587131.2363 104619.2672 4-Dodecylbenzenesulfonic acid 1427204.17 856656.656 1054302.138 851414.2209 971674.4588 574473.5531 931532.2612 645800.3563 788175.8678 681759.9251 760857.8329 1110893.277 551365.6622 348305.9334 4-Ethylphenylsulfate 7970479.532 3249253.223 7420809.162 4794763.593 14587005.82 9393581.684 104693.9034 55954.92071 32460.1137 28748.80485 20692756.63 24770225.45 8172586.472 10114820.71 4-Fumarylacetoacetic acid 45201320.43 38596207.03 47420502.26 43504130.63 34100908.88 29739084.07 43705512.22 34461632.64 33904894.51 31684820.8 40900414.47 36204193.84 34828116.53 39119803.11 4'-Galactooligosaccharide 777538.4276 376368.0488 857855.4085 688406.0416 558383.7394 396327.8685 696151.2586 295205.6121 522310.2439 639246.7957 781997.1328 1288174.005 72216.74448 112233.789 4H-cyclopenta[def]phenanthrene-4-one 551152.8448 1952191.403 2054484.319 2676722.692 275627.6977 343460.2219 645346.7363 1613799.842 2280133.091 2359600.712 1733703.315 285635.4454 4304985.33 4781769.067 4-Hydroxy-2(1H)-quinolone 383813.6087 69678.75398 124476.7969 147115.8471 195792.6019 337242.7388 144768.1439 170505.9329 222971.2975 810113.3121 113034.9057 1002114.405 74652.73972 579992.0994 4-Hydroxy-2-oxopentanoate 6056291.164 4778149.037 14246362.58 8548725.563 24163250.21 20526033.05 8830829.925 5338142.078 30383498.54 46966604.61 9328285.579 18212530.13 5907852.96 9910818.044 4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-sulphate 12660787.95 8279507.82 7321799.877 9315194.754 1835711.463 2191348.892 2180349.251 1633275.728 1287807.568 1637497.384 789006.495 1672192.21 1566815.814 774622.6439 4-Hydroxy-5-methyl-3(2H)-thiophenone 53101.13483 50368.51304 51139.09671 55314.52763 90971.35555 80233.75675 76601.53775 81829.58792 70009.23029 75845.97016 76440.82242 71039.02762 67017.32526 66936.0712 4-hydroxyamino-2,6-dinitrotoluene 694212.6725 495905.6426 879544.5374 697882.7771 578624.3165 452305.3407 769056.802 533486.8176 668504.2878 722115.309 838315.0389 1121845.855 128759.7468 243122.9588 4-HydroxyaminoquinolineN-oxide 578886.416 250299.5518 238858.6395 242243.0854 330598.9366 267356.6617 290235.9185 352153.2787 299064.2558 300813.3299 377119.8626 414817.7594 202490.0653 237655.0934 4-Hydroxybenzaldehyde 37963651.62 38837906.85 45547437.19 42675940.35 75715442.35 84556001.38 109719793.8 88821959.57 80630501.14 75709114.15 115948051.5 91463486.8 67975407.95 59878891.2 4-hydroxybenzoate 9954572.769 16343524.55 15706917.17 19542431.01 37011228.67 42545614.78 31841661.59 36359434.76 47843017.15 48182492.93 54271268.43 59068495.01 40638859.31 34631980.9 4-Hydroxybenzoic acid 5620420.528 4303695.339 5627885.426 6203387.65 8828776.657 9204927.045 3801194.648 6679473.562 9552638.909 3798875.517 4238697.702 6508105.201 2479825.117 3017466.44 4-Hydroxybenzophenone 793451.7797 449470.6413 578535.2802 567253.302 391751.4216 446809.236 359269.9644 400776.6258 366277.7758 332973.2843 526394.5724 536804.7987 331579.4996 272773.5678 4-Hydroxybenzotriazole 5962628.63 5678310.655 5348711.774 5493455.295 5188476.741 4523115.763 4820138.094 4803484.851 4501716.588 5277983.824 4304648.6 4745875.338 3753718.76 3342586.549 4-Hydroxyclonidine 5220702.543 5455802.937 10476090.05 15043191.08 7651999.277 6037491.821 12555650.17 6839871.996 4821312.34 3072560.34 2439617.383 3428214.439 2959577.348 1375304.466 4-Hydroxy-L-glutamic acid 219136.9056 26946.4735 367402.1699 220933.6794 109064.8956 32055.11045 40529.58968 24126.77314 128360.0122 52646.24136 73249.54203 55857.5514 60526.23823 44035.85739 4-Hydroxymethylimidazole 9472479.774 8576837.361 10120193.17 9594204.178 12964834.67 6769304.803 12742517.82 12452782.07 12593272.61 12152026.24 10504215.29 11647657.37 11872381.46 10741358.23 4-Hydroxymethylphenylhydrazine 83384.43043 84654.4329 82373.14381 96422.99504 143083.8525 119407.5844 120477.4442 137164.5288 116270.2231 125529.4576 139785.336 110301.4407 114530.476 105750.6957 4-Hydroxymethylpyrazole 45606.37259 39544.7896 43802.71791 93462.34115 139177.8159 164129.391 199744.3874 202949.1353 192855.1853 160042.1031 157881.3204 269651.4621 247169.8586 182750.8932 4-Hydroxypropranolol glucuronide 4445710.934 1043812.07 2027991.185 3727488.603 2537934.046 3066861.081 1298434.704 2180796.578 3466331.618 2825708.177 4031482.15 2566894.992 4984940.623 3472598.647 4-hydroxysphinganine 11544109.61 18506805.66 23399828.36 14272534.35 9948564.797 27457091.81 14891452.91 26681234.66 15509570.84 19251668.13 8267218.171 6925907.047 11012962.4 11962505.5 4-Imidazolone-5-propanoate 69858.18543 79083.67186 78264.86331 87996.77509 219264.664 182942.5271 178214.4651 197311.1512 168597.4873 202289.856 203503.7313 217650.7043 243515.149 256197.8932 4-Indolecarbaldehyde 1924625.125 1331957.372 2351642.525 2278529.421 4536293.079 3106061.911 3518584.695 2725792.945 2608963.394 2176261.799 2404315.432 2104108.458 2838758.19 2707315.284 4-Ketoretinoic acid glucuronide 211105.6343 121221.7946 196057.4875 164310.1442 269695.9865 270330.3917 249439.8925 225625.8174 215634.7982 216869.9089 224282.4599 185621.039 175879.8719 81799.56781 4-Mercapto-2-butanone 959882.4228 1121115.078 813617.4743 2900639.782 389729.0748 223390.2403 306445.2761 536558.978 280647.5448 357410.1462 295956.9318 477271.0814 252668.8556 214514.5069 4-Methoxyphenol sulfate 1310706.81 293813.5484 701313.8359 415611.7553 823051.5754 843530.5734 1458630.604 828342.6197 211999.4323 360121.0811 1225099.38 963735.6616 213101.2094 261121.8366 4-Methylbenzotriazole 355905.2216 456847.1522 395814.8124 436460.5762 210241.713 177748.1771 181987.6844 677385.1827 170471.9055 840140.5725 795701.6749 238065.7438 166100.93 163156.8555 4-methylpentadecanoic acid 167168.3009 107617.1322 122355.8165 174591.2157 620003.0724 620212.3099 137517.2086 140641.0746 629575.5235 173647.0317 330763.9193 128505.0275 765556.787 532009.5623 4-methyltetradecanoic acid 5677682.889 2384709.444 4162505.751 3020536.776 222369.7898 186299.0912 197613.9376 169082.4924 208416.0061 191034.4242 257894.1251 274746.9559 174743.2817 181279.4704 4-Methylumbelliferone sulfate 232379.4965 186724.1741 269542.2539 230566.1094 218987.0626 209194.4936 180339.3073 205755.8417 204251.207 221005.4872 242833.2232 246962.6178 182751.6617 165245.865 4-Methylumbelliferyl-6-sulfo-2-acetamido-2-deoxy-beta-glucopyranoside 392192391.7 341296809.1 421225179.3 387709484.1 304384763.2 265403891.1 383282263.7 307410924 311558428.8 289539916.5 372354800.1 337641764.8 278114859.8 351757293.7 4-nitro-6-oxohepta-2,4-dienedioic acid 3348988.336 1314395.702 3356949.863 2181974.8 13740235.97 9339936.935 1664358.058 1349951.622 3805500.661 3617039.306 6316428.607 8109153.738 1196155.824 1748364.609 4-Nitroaniline 2487004.511 1064339.341 1215189.363 2269327.617 4371110.616 4385697.706 2875424.231 1860803.651 1397494.432 2526417.599 1750697.899 1719153.91 687478.2024 698679.705 4-Nitrophenyl beta-D-glucopyranoside 94241.4011 85245.19291 119164.9847 97368.31132 102382.6448 103934.4839 86171.52598 99353.45148 107950.2293 103786.1972 96677.40164 97352.42443 86584.50417 73163.20182 4-Oxoproline 16925709.62 7954561.934 15994613.65 12808204.11 205692018.5 156005193.9 93426277.23 68615892.94 130415011.6 108333799.3 124452336.9 114062879.5 64835076.33 56662039.46 4-Phenolsulfonic acid 70005072.69 34326830.78 60709224.89 42102717.8 180646705.4 124661748.7 33828680.97 26430898.08 106998171.6 107434004.6 60819181.13 73655335.67 6511526.456 8153391.787 4-Phospho-D-erythronate 15250127.65 10066356.36 26414450.23 23472294.77 38181227.29 24718234.36 28674796.02 18131863.9 34435045.67 26863531.48 35089914.45 16990100.52 11542261.33 14059253.42 4-tert-Octylphenol 40871192.63 41058594.71 46629137.09 63565088.59 61912834.39 47440589.73 68522511.1 37737873.03 74933666.97 36324387.46 126012650.1 82765643.4 44275631.2 42670498.36 4-Vinylphenol sulfate 581883.5334 288991.0176 988902.6451 746858.1168 3190859.019 2230927.966 692484.234 621296.4548 486575.8209 470009.9875 684113.7354 840210.7069 311790.8908 252126.4037 5-(1,2,3,4,5,6-hexahydroxyhexoxy)-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-3H-pyrano[3,4-h][1]benzoxepine-2,7-dione 864717.5263 222955.3393 5700420.802 4648166.145 7713096.319 2861619.924 807863.1846 1063705.129 4315279.11 2264451.427 159978.0614 163659.2676 957693.9336 797822.6046 5-(3,5-Dihydroxyphenyl)-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0~2,11~.0~3,8~.0~15,20~]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol 10151451.7 3324181.211 6872251.736 4914173.2 3493647.069 3045993.76 1767643.081 558395.2511 1690839.266 780166.6789 3904553.755 4166535.576 562245.631 517069.8568 5',5'''-diadenosine triphosphate 8702849.521 827190.4795 732945.1456 2258773.239 326985.7847 356685.166 346363.5896 347893.4122 332192.5001 339069.6664 341149.7231 362353.5459 332116.2912 342202.7548 5,5-Dimethylhydantoin 71285781.47 40099900.64 76333578.01 55997856.17 58734222.63 52598426.19 42198878.76 38392829.58 50912265.02 37646760.34 67719172.28 76605054.63 28952779.88 30042967.65 5,6-Dihydrouracil 7816352.367 7501991.146 7547940.212 7180183.074 12219007.09 11343809.91 10944219.24 10627414.52 10483321.89 10761832.7 9817173.499 12103460.52 12227078.83 12020748.9 5,6-Dimethylbenzotriazole 41852.47947 38386.26513 41294.69242 42105.64076 68164.99376 57354.61225 59257.78219 66966.95609 54079.46601 62903.07076 62834.04048 56627.41002 52742.66853 53425.74198 5,7-Dihydro-4H-purin-8-ol 203540.3004 389745.0957 180178.698 169038.7047 160220.3036 149398.5628 159432.1407 421536.3655 158455.5836 425709.805 613140.4351 157569.5843 134997.7207 134704.5886 5-[(Aminooxy)sulfonyl]-2,4-dichlorobenzoic acid 1614010.933 2767444.603 4506619.211 1766679.201 3592594.382 1420900.644 4436433.65 2450346.433 1262562.658 1356095.741 472196.6823 440271.7953 933748.6639 378149.3526 5-[[5-[[5-(Pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methylidene]pyrrole-2-carboxylic acid 33946.34174 25672.88795 29366.37178 29806.90354 33409.77194 29536.35027 32380.92351 26602.29508 27705.56172 24586.55107 30860.19664 33765.50359 19929.81624 20319.18671 5-[6-Hydroxy-2-(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-3-benzofuranyl]-1,3-benzenediol 432492.4127 198817.4532 304392.4752 337900.8636 318479.084 252334.4215 246828.8308 207834.6821 225526.1575 207178.6345 400324.2145 370948.0416 197697.0046 169202.8861 5-Acetamidovalerate 693368.6067 461082.6485 989569.6003 687189.8241 1565547.89 1093503.642 1092599.121 750484.2488 1236741.292 851361.6364 928661.4986 1817870.455 276397.6129 475804.8029 5-ACETOXY-3-METHOXY-4,6-DIMETHYL-(6S)-((2R)-2-METHYLBUTYRYLOXY)-2,4-CYCLOHEXADIEN-1-ONE 5343737.696 4090377.297 5477763.605 6662762.253 6231371.872 8423410.263 9660153.295 8795630.985 6257968.205 6014046.122 8287127.583 4847496.486 8460051.64 7861795.587 5-Acetylamino-6-amino-3-methyluracil 179506.6587 245767.6063 350889.1099 199472.4627 251065.0654 109960.7142 497056.7581 438607.5829 100627.859 316814.7723 466170.9083 318354.3697 147537.0442 266579.7801 5-Amino-4-hydroxy-3-(phenylazo)-2,7-naphthalenedisulfonic acid 15431414.74 22607114.72 13729513.74 14358841.03 28596044.8 30691191.41 38389167.58 30692470.41 22259881.8 32943959.97 22064245.58 29178178.04 19539254.74 21428811.92 5-amino-6-(5-phospho-D-ribosylamino)uracil 25087463.37 18455846.77 35811549.18 38258923.84 17719018.67 12883593.22 25953079.81 16261148.03 12712717.66 11200969.69 11386656.44 13356983 8672335.265 5505361.829 5-Aminoimidazole 197622.3529 186882.8686 172970.6823 324390.1818 164835.7381 144349.3952 184923.1337 592055.1727 161963.2452 275834.7473 468584.2279 161057.633 137986.1059 137659.0666 5-Aminolevulinate 3723777.379 3704056.019 3600286.906 3732511.234 4473937.314 3293830.052 4171628.654 5002624.894 3700198.85 5293853.772 5219816.513 4091612.74 3967476.66 3448449.129 5-Aminopentanoate 1174697.054 1122531.607 1527841.924 1399726.295 1750954.655 1537767.996 2393507.377 1984168.619 1752577.562 1571479.486 1931237.282 1965652.087 1614963.022 1823703.659 5-Aminovaleric acid 69549974.8 40682541.31 88298303.44 64801284.78 88578529.73 61397497.42 116752671.9 69498495.39 78282274.65 96084065.76 64241910.86 103103729.5 37731504.7 48588891.13 5-Carboxypyranopelargonidin 3-O-beta-glucopyranoside 19150146.77 16697499.65 18229517.65 20345348.96 15981433.68 15082201.15 9002459.474 9667707.978 13592696.31 10750074.13 10528988.76 8834614.907 8963696.167 8030678.701 5-CHLORO-4-CYANO-3-PHENYLISOTHIAZOLE 164788.5777 60247.08778 101500.3935 79299.6683 105976.3253 109162.9865 118546.522 125102.9162 107316.0249 125521.4293 107085.0914 98161.13479 108504.6354 103502.9786 5-Chloro-4-fluoro-2-nitroaniline 4671954.747 1852330.39 5013418.109 3140062.982 19997820.72 9490475.894 12914320.21 9324227.741 11818969.69 12275788.59 13368933.56 16537033.04 9088687.707 11079639.85 5-Chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine 299113.6632 112471.6432 1052095.542 1198177.723 1049434.674 1004539.862 751262.2944 1064401.302 3197383.79 1437802.422 195130.0986 185278.9436 1354247.705 980318.4533 5-Chlorouracil 1697761.043 1333865.818 2420530.288 1901026.533 2080128.916 1741183.765 1691556.057 1757300.477 1898588.02 1840709.708 2437045.242 2528451.261 2077354.031 2305602.868 5-Dehydro-2-deoxy-D-gluconate 6-phosphate 989293.9791 179599.6031 320843.615 438318.3157 504662.7786 869255.8143 373145.3232 439485.4404 574716.8864 353599.3911 291351.7112 521260.7716 192420.238 223421.4426 5-Diazo-4-oxo-L-norvaline 193475.3823 178055.6709 1111383.281 155638.3466 49125.10099 46973.79254 49949.74355 1552953.992 52926.44863 1926987.921 2110046.796 309740.7304 43344.67369 60068.24971 5-Dodecenoic acid (12:1(n-7)) 5470223.083 7419180.296 5572914.385 4861638.307 7950282.432 8544544.015 6535673.686 6656536.457 5658658.746 5344574.319 6686051.282 6084482.412 4842185.838 4738359.462 5-Fluorodeoxyuridine monophosphate 17347940.97 6365623.215 21847278.8 12909951.58 6171322.305 6025139.411 7347299.304 3814468.231 4100471.014 239190.0522 4305282.927 5845976.536 1752078.57 321504.1463 5-Fluorouridine 5'-triphosphate 1051514.398 1041090.147 1298622.674 987293.5959 998234.4509 742115.4913 987234.5888 1241870.079 1119421.822 909064.2478 1669667.525 963715.9833 1611217.215 1722216.532 5-Fluorouridine monophosphate 678867166.8 1713346221 856179385.4 906708117.1 1200426433 1829180948 1227846096 2206223483 1906655744 2658708567 1007952313 1715092437 2799977975 2369968880 5-Formylcytosine 1249476.978 1262299.885 1363254.179 1149058.634 2124938.598 2370809.691 2429439.889 1167101.795 2235600.833 733251.7903 930944.2486 1889603.257 2187425.289 1914252.772 5-Hexenyl glucosinolate 953961.7689 392046.638 614103.4119 737170.3244 264770.4593 456062.1533 628803.2784 393628.2646 183943.3076 439453.6259 144204.7611 163855.2183 149660.2644 170872.6267 5-Hydroxy-1-methylhydantoin 1743631.583 1747895.537 1761070.848 1699178.525 2337233.908 1593135.032 2248100.336 2800759.651 2184825.996 3239049.075 3200516.795 2488886.475 2085641.914 1912205.524 5-Hydroxymethylcytosine 4090327.012 4164287.93 4063754.679 4090932.421 5250428.089 3628509.239 4868018.394 4855067.052 4367034.805 5754634.092 5471040.153 5344486.843 3844207.675 4503852.357 5-Hydroxymethyl-uracil 2312859.496 2370172.585 2206569.679 2297812.637 2851070.501 1827752.655 2522589.93 1598420.048 2450084.591 2981121.25 2902130.558 2554602.437 2229638.849 2001664.294 5-Hydroxypyrazinamide 2247273.203 2680533.739 2489359.456 2287630.499 1161646.918 1841362.907 1555613.545 1269585.844 1649066.782 1529938.876 1159571.828 1940569.936 4996621.589 481169.3766 5-Hydroxypyrazine-2-carboxylic acid 702246.4561 677695.5102 570121.7082 611333.2731 945714.4221 783718.475 956039.6458 1097297.771 949084.9676 1153074.977 993837.618 951530.4752 878362.6912 754978.1829 5'-Iododeoxyuridine 215668.3435 252156.4052 502989.9238 1259737.118 46728.56525 39430.42252 45289.56677 37207.29023 38750.37372 34387.97062 43162.60268 53735.98552 28778.00802 30663.86884 5-Mercapto-2-nitro-benzoic acid 2885069.21 6355101.182 11015308.97 11220800.16 16401176.26 12264879.77 18876346.72 16514277.93 19072470.22 18940019.03 24895043.67 29766169.63 9620297.951 13797875.17 5-Methoxy-2-(methylthio)-1,3-thiazino[6,5-b]indole 3227078.28 2875121.441 2908596.903 3016581.632 325002.2043 254103.231 264057.9687 238918.8069 294094.7345 267128.6276 3174974.056 756642.7172 305782.7313 292613.4785 5-Methoxyuridine 794477.1741 386317.6102 1172413.23 681296.5942 252520.6723 163782.8361 486898.8963 590267.4457 390335.7708 594427.845 777047.2975 477619.4911 176445.3432 151668.1142 5-Methylcytosine 118899.9384 54980.42414 98521.04312 56912.32757 33478.94129 43478.83508 109019.7019 122136.8607 71385.09521 49117.58696 306757.3514 409800.6597 404450.6339 354761.6293 5-Methyl-N-(5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide 221015.5183 207351.8117 256525.8682 250869.476 312870.1023 297988.0573 259985.8546 273914.5783 314400.3285 305468.565 347629.2249 385908.8311 274927.1511 248601.7654 5'-Methylthioadenosine 1351578.178 1073667.891 1702648.166 1327540.308 1230001.152 993043.5696 1753348.763 1330818.591 1431705.613 1305364.619 1661121.91 1935588.295 865597.821 928314.3663 5-Methylthiopentanaldoxime 49749424.26 33481150.46 61750488.85 40538786.33 7383720.026 15425677.23 22396464.94 35312786.58 49810168.98 20601000.21 68694627.04 75997909.82 32782786.25 22043449.98 5-Methylthioribose 1-phosphate 29387.39722 26222.51569 27660.05425 28589.9082 44780.62236 40290.74879 36589.62196 43597.86266 35706.06772 40839.25751 39263.39951 38130.83834 34047.83716 31981.26548 5-Methylthioribulose 1-phosphate 23046.37266 22488.22426 19079.98533 20725.78954 120643.1966 78266.87116 97005.34177 120866.4597 115784.3808 92496.54477 115494.5479 111906.1004 114688.7478 79760.45097 5'-O-[{[(2E,4Z)-4-{[(2S)-2-Amino-3-hydroxy-3-iminopropyl]imino}-4-hydroxy-2-butenoyl]oxy}(hydroxy)phosphoryl]adenosine 113373219.3 74343412.55 132947411.3 105861546.2 81348185.33 59284716.64 109640134.2 79169964.63 81723616.18 69608366.85 107956385.8 104868518.2 62198737.06 76863673.19 5-phosphonooxy-L-lysine 5647245.041 3498914.264 8636345.902 5723225.825 7164052.682 5773760.781 2035282.257 894810.873 4416341.488 3383093.327 2986451.699 1318680.791 1142094.336 1660444.597 5'-Phosphoribosyl-N-formylglycinamide 3160175.149 534061.1038 5259580.865 4188749.978 1215912.279 934971.3656 1163849.019 562804.9535 1905259.679 910428.6309 1737642.066 744155.3092 515434.6287 776439.7243 5-Taurinomethyl-2-thiouridine 560938.0525 552227.4979 554475.7636 575558.9985 579600.3997 728095.1877 620901.464 617613.02 589739.288 601948.2788 741665.5272 630578.388 589603.9947 702099.9562 6-(Cyclopentylideneamino)-1H-pyrimidin-2-one 87304.80059 87265.32393 86804.70873 96614.3763 143367.8466 119869.0693 124820.346 138475.4526 123048.7069 135861.1049 164031.0741 117627.9416 114757.7971 115175.9468 6-(D-alpha-(3-Guanylureido)phenylacetamido)penicillanic acid 557920.4796 232350.3137 1752508.735 832909.9761 918531.5756 166303.8214 815355.5153 179781.1649 596309.0132 725118.3953 529974.5905 109547.75 141348.3825 159037.5559 6-(ISOBUTYLDIMETHYLSILYL)-2-(PENTAMETHYLDISILANYL)-5-(TRIMETHYLSILYL)NAPHTHALENE 921029.2389 203274.7771 1234244.833 2726224.113 1848418.413 1882204.335 1497647.97 704761.1598 2514094.716 566886.0464 3769692.567 2569790.922 1702300.083 653535.1609 6-(methylsulfanyl)-9H-purine 11196992.74 6608947.52 9803872.372 6764680.574 15504768.9 15265216.93 13121970.18 8695147.207 22217739.49 10846124.25 10905020.72 19614634.3 7827211.245 8840352.219 6-[1-(3,5,5,8,8-Pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-2-carboxylic acid 139062.1641 119186.9138 167110.8201 131731.4792 166488.4254 125599.6198 230400.1493 180368.9856 172540.6012 146732.0295 177349.0232 134998.3866 132165.7048 132692.6167 6-Aminocoumarinhydrochloride 125438649.3 84448215.76 105938853.2 113587055 35370121.94 39723106.15 30545078.24 22961012.12 20038321.95 19201870.37 30331149.86 27641622.1 13405269.24 13841783.61 6-Chloro-2,3,4,5-tetrahydro-1H-3-benzazepine 14703402.52 4623307.006 12629670.61 7618880.52 11420913.16 12415709.61 13260207.57 12124634.43 15528543.2 11974331.51 21336216.75 23232582.7 8253396.018 6857846.721 6-CHLORO-5-CYANO-3,4-DIHYDROPYRIMIDIN-4-ONE 43469.92355 20586.69498 31675.23165 21617.47191 218111.5768 89687.19633 32468.146 69641.35569 156604.1314 222633.4443 55213.27694 122414.816 71613.09652 93973.27553 6-Deoxy-5-ketofructose 1-phosphate 50520977.87 30895130.96 74936135.24 56459892.79 22942207.01 13242053.69 9586622.073 6873370.984 16490628.3 13207809.13 5986986.792 6761297.354 7979373.865 8549390.47 6-Fluorohomovanillic acid 4195236.236 7568779.751 4588160.215 7048164.292 13188598.51 11386750.36 9719590.309 11753667.51 14591794.06 14896347.23 15382437.81 20949971.82 10903808.27 6685936.426 6-Guanidino-2-oxocaproic acid 1989572.384 1520855.378 1762798.579 4572178.756 4284603.779 4468649.434 504450.4936 1648818.939 2705389.502 2109952.508 6431658.856 6027517.239 4117197.538 2611326.098 6H,8H-3,4-Dihydropyrimido(4,5-c)(1,2)oxazin-7-one 1890466.581 3035978.004 3038654.981 2911162.842 1607715.713 1510958.984 1885704.717 2408844.019 1664012.4 4393243.798 2266666.173 1926104.313 1368415.232 1474628.391 6H-Purin-6-one, 1,7-dihydro-1,7-dimethyl- 495201.929 726627.8705 688452.0748 795156.3009 714081.6465 347763.0441 1198342.079 1287694.872 1166538.564 1013824.74 894814.0793 1565021.832 1337542.506 694843.1665 6-Hydroxy-2-succinylcyclohexa-2_4-diene-1-carboxylate 3608234.608 2938615.032 4076398.225 3168358.326 4537264.738 3191566.164 4303610.195 3617212.42 3214888.216 3008577.732 3745892.651 3666817.278 2923728.759 3095750.243 6-Hydroxy-3-[(1Z)-3-(3-hydroxyphenyl)-3-oxo-1-propen-1-yl]-2-methoxyphenyl hydrogen sulfate 93642721.75 58886626.17 161124945.1 92599977.74 83838922.91 45428780.48 137074317 92352862.71 111021118.2 90401589.16 145575835.1 159806171.5 56548265.87 74154671.83 6-Hydroxycaproic acid 33366482.2 17733418.67 89692724.05 31023191.38 44578389.54 33523088.95 36956380.67 27013537.49 35192995.3 47759486.55 32948278.93 40293850.18 13344627.04 17731548.02 6-Hydroxydaidzein 455658.2453 471121.0524 464598.2636 451518.9708 529332.3005 574751.1666 545219.9911 1540568.832 559604.6007 1364985.635 557232.0199 521678.7398 1423291.471 1040513.476 6-Hydroxynicotinic acid 403330.6027 87401.8019 284630.9565 621538.3497 955787.7867 565078.8598 2562212.139 4519784.108 43864391.18 10888242.77 1623506.216 569947.3006 1093935.954 2283593.827 6-hydroxyoct-2-enedioic acid 91673.77908 122719.5152 93808.24043 108963.6598 315018.7493 177954.5933 224785.4978 112902.8704 196838.1199 225066.5089 164002.1542 281953.5671 183438.6394 144563.8384 6-Mercaptopurine ribonucleoside 5'-diphosphate 15234472.16 13640913.53 47634980.26 33307423.49 26734034.3 20962735.58 40940487.64 32548076.09 32325721.93 30911121.8 35902428.16 39259523.91 14799035.38 20745193.8 6-methoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one 1090725.46 128492.2491 8023812.631 6699934.54 11709559.95 4593266.441 2295260.658 4628612.005 12227461.94 6126720.533 1756686.096 1659563.135 2564787.238 3215373.436 6-methylthiohexylglucosinolate 1734457.489 1881734.502 1745914.187 1700991.576 1987255.806 2082177.608 2020947.864 1946988.527 2024867.362 1018940.998 2109358.834 1797349.597 1396111.988 1681162.42 6-Methylthioinosine 46912.33319 44998.93832 44324.62079 46753.0314 71974.30485 78111.72209 63254.64221 57549.88801 70834.01648 56055.7855 53743.97087 67889.57247 59032.6717 59553.65544 6-Methylthiopurine ribonucleoside 4653418.696 5562121.49 5987615.532 9944414.111 14714766.72 12959896.83 14185230.99 22997130.34 22546014.24 20265667.92 21977244.96 26060855.51 22013381.52 23843252.25 6-n-Propyluracil 388080.094 347494.9705 369183.7646 427875.9912 286259.3512 104690.8051 176169.0928 659691.389 138199.7187 604173.7509 599581.7135 334036.8686 370849.7074 182697.6957 6phiC9SPC 27712943.43 11518209.1 24533087.18 16771233.41 15630156.17 8441896.659 8644582.344 8560344.673 11809586.99 7357993.25 18142225.34 21752135.48 5121047.925 3758969.334 6-Thioguanosine-5'- O- triphosphate 10499488.51 3360640.821 7706998.747 6691548.404 1911314.272 1397421.208 1880249.517 1921642.75 1368588.276 3608433.825 1535946.223 2545084.841 1602142.768 1724639.421 6-Thioxanthine 11701172.58 15059712.89 30142354.13 22273605.75 29205813.78 24253254.53 28792087.12 34904791.93 36510471.58 19415649.89 31190145.09 33337098.68 31963099.43 32004210.67 7-(3-Chloro-2-hydroxy-3-methylbutoxy)-8-(3-methyl-2-oxobutyl)-2H-chromen-2-one 133988979.9 77283673.74 170532832.6 125898559.8 95153891.08 60720494.16 139803056.7 85988041.61 94837719.97 80433526.93 131201230.6 129535716.4 61699293.05 81605280.92 7-(3-methyl-5-propylfuran-2-yl)heptanoyl-CoA 11734746.29 19349028.41 7253422.493 5634581.308 39323176.96 17097467.52 31926609.23 28386580.24 12412192.16 16105686.64 29389895.38 37334017.33 10263158.2 15135856.59 7,8-Dihydropteroic acid 16284722.97 14113837.92 7805753.368 9699526.835 5920844.588 6932159.512 6736942.484 4375724.406 4949307.242 4077998.68 5286387.194 5526395.341 4146942.365 4811940.457 7-Aflatoxin B1-fapyguanine 263841.9542 181147.7285 351826.783 288651.595 256781.1203 207831.411 218354.2991 188051.3187 237432.3653 207480.7974 690617.3088 775439.5124 357895.6981 353957.8688 7-Chloroemodin 378075.4002 382181.6672 384682.9242 377096.7979 390231.2155 390144.4892 414103.6651 396262.0171 413890.5083 396668.129 403524.9008 399099.7098 385184.4778 416873.9846 7-Deazaxanthine 616663.8607 591744.3554 617249.1115 586821.9261 787493.306 349065.6208 590673.6065 797341.8798 687332.3338 911749.0918 1068887.304 732258.8196 715307.8055 625358.7107 7-Hexadecynoic acid 1747803.443 285879.5162 1391360.454 874434.1127 1211204.04 1663590.355 946547.6786 1223012.738 1395734.236 2954246.53 2205971.632 2854479.852 979375.336 2346573.274 7-Hydroxyethyl biscoumacetate 3535093.378 175228.7453 2104854.113 1149469.022 91827.72568 91856.86478 592973.7412 48074.58634 475606.2154 562246.5539 420347.9519 262073.4663 978413.3077 164740.9703 7-Methylsulfenylheptyl isothiocyanate 247123.8462 284169.5255 333347.8143 303651.3709 247763.2336 209104.9883 215387.678 239992.2734 201124.905 228637.4186 231045.416 205826.9126 191706.8188 194189.6252 7-Methylxanthine 50938.97015 60956.30853 127955.7395 62310.77912 196020.9524 84406.69558 73756.4327 78841.48279 77605.61166 82804.41979 295240.3258 280235.429 64382.78142 66573.34882 7-Nitroindazole 52136.42344 47708.31613 51061.20282 52730.90993 86137.79016 74358.3733 75328.96747 82368.5204 71464.61719 77595.91708 82697.17191 68966.38365 71610.60357 66121.01353 7-oxoheptanoate 4275949.781 5713987.877 5188657.753 4471290.43 9743694.654 7664122.901 7059918.948 11092829.69 11241671.8 5362930.451 6035093.576 6950512.685 10034198.05 5522695.115 7-Oxoprostaglandin I2 1083050.54 457616.7505 491806.6525 748605.3166 927663.3325 770060.6624 1274365.129 1002822.438 946653.2853 881312.2635 1402638.557 1062794.109 1068863.304 1007500.487 8-((4-Chlorophenyl)thio)cyclic-3',5'-GMP 399749.8001 385642.606 394898.0865 375376.6971 338869.279 331809.214 396220.7411 316018.4873 327624.4959 347693.4954 341744.6308 384978.7622 329135.3954 325035.5881 8-4-Aminobiphenyl-guanine 598590.4787 300420.1365 479819.9137 564766.495 791635.08 645406.8405 712659.0935 574615.084 674289.0514 535990.0947 726605.2165 679823.3925 490493.514 410209.0861 8-DEMETHYL MEIQX 50992.25327 46344.68869 45657.67433 45528.14124 73488.85157 69674.13601 67026.35997 56157.1668 72553.17126 51688.61646 49586.35012 66439.00632 63946.37694 63962.82722 8-Hydroxy-7-methylguanine 37203.78985 35176.08841 31709.49284 61367.86363 55661.94945 48542.97889 41296.0113 146664.0414 40708.28619 76557.31339 42025.51434 47115.56206 53348.26885 42037.1926 8-Hydroxydihydrodaidzein 780292.6877 466161.019 932280.1759 737526.7694 557720.6412 477240.1633 864417.2352 413382.0483 648078.4925 648715.059 783522.617 1145979.772 106849.0197 143038.7261 8-Hydroxyguanine 106695440.7 34030676.59 167110628.5 139637473.2 226165864.7 134802880.5 208677939.1 92110964.7 168151745.9 102836925.1 84928960.92 90604403.17 41663132.93 83829681.51 8-Methylsulfinyloctyl isothiocyanate 74180.7128 62624.61996 60417.60979 62915.22098 99269.73482 94922.47008 100936.1344 83580.19515 106951.3225 89243.3463 79576.74995 99124.60848 86049.17437 90661.45594 8-Nitro-cGMP 790333.5885 2514697.421 1805741.979 1685880.664 731001.5653 1189527.313 870391.6914 1596190.698 1629725.352 1100450.913 228965.9987 772576.9523 2269285.242 2029904.536 8-oxodecanoic acid 891480.8607 958363.6083 893484.89 1176577.044 1807904.475 2458321.151 1009497.394 904209.0229 781209.9043 311328.3397 1197124.692 1472000.398 599607.5182 1324950.451 9-(2-Aminopurin-9-yl)purin-2-amine 689450.1895 1089309.037 2157861.659 987269.2594 773938.819 651390.1954 2257353.763 962036.9124 873551.2757 725027.7951 2932097.291 1857716.833 397639.0674 320312.9725 9,10-Dimethoxy-6aH-benzo[4,5][1,3]oxazino[2,3-a]isoindole-5,11-dione 16975772.38 13150097.88 18115764.99 15169286.39 10230037.62 14551127.57 9755941.962 13119556.34 14792804.27 12122747.63 20706040.28 24657716.08 11635404.42 12116942.76 9-Carboxymethoxymethylguanine 11511350.76 5190156.68 7789924.278 6536369.64 4341711.946 3633270.878 1981646.156 2242114.719 2159740.991 836161.468 4219422.101 5649825.45 557993.9469 891853.3951 9-Chloro-10-hydroxyhexadecanoic acid 140207.1506 90944.6827 162462.4106 143176.6479 134420.5041 96994.02662 130388.5621 108916.9047 123593.5274 89178.3432 156766.9117 164278.8575 95811.41636 75033.71312 9-Deazaguanine 942500.2555 1334824.587 365960.6137 387097.1418 1977243.694 2334462.132 3534812.453 3274541.653 2034732.303 1525804.417 1566792.865 3394075.046 616236.5952 517089.5196 9-methanesulfinylnonanoic acid 10055988.8 1862270.918 4500059.714 1981615.578 2938076.391 2913127.78 1131781.302 2198002.687 2383686.142 1850041.014 3270814.564 1937553.016 1247467.253 1230069.272 9-Octadecen-1-amine 8911836.466 3538194.278 7321628.705 5797426 7840399.143 3318905.726 7171539.059 621176.2436 6779948.549 444008.2454 33776868.33 684091.0956 474554.6807 443213.6381 9-Oxo-nonanoate 619070.0448 527234.9974 564565.6944 539885.2087 874477.3755 809676.5854 861374.1147 776310.5827 807708.2229 910078.5041 893631.8205 726875.6168 716104.9748 914571.8676 9-Riburonosyladenine 394424.5822 300825.2179 472580.4517 367999.118 333573.1211 229536.5848 403530.66 298887.8118 327584.2748 263398.8895 372432.4566 406466.5801 226484.4147 244492.5354 a Jasmonoyl-glutamine 1003000.568 655636.9949 583867.5962 529740.157 1178237.048 595477.1677 686917.8217 419193.7625 561054.0968 542241.0333 614560.5363 705156.2721 441193.2183 301868.9959 A(i-20:0/12:0) 3077982.049 1591890.87 5129594.49 3260850.838 3337074.129 1770411.47 3501649.583 2248333.307 2894530.735 1825675.453 146824.0822 3266100.797 1157944.196 169011.6813 Ac4PIM2 18:0_18:0_16:0_16:0 7539627.957 8005412.706 6449880.373 5659896.715 5109447.273 5889772.397 10569084.42 6128151.182 6925074.687 5614687.938 8024937.328 5139670.092 8930282.749 9698437.262 Acamprosate 204485.3546 86999.72909 288264.6234 250412.6956 39717.67865 46789.41396 30373.3585 23956.59124 44377.04547 29114.17744 41514.7064 42863.07349 38637.8764 46269.42524 ACETALDEHYDE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME 45256180.86 22751568.44 49285923.65 37656115.74 61038266.47 49976599.44 28380077.27 31011333.38 40169989.99 23700272.63 32828039.9 40906098.72 22194871.65 24324526.36 Acetarsol 15855295.72 8400233.035 58982575.45 59891729.53 108682206.3 51763336.78 88093417.66 38751099.81 85636494.43 78863083.38 98376108.06 110619112.7 21445578.79 27426809.1 Acetohydroxamic acid 3053834.432 3281809.723 3195453.794 3241871.484 4033469.621 1360609.299 3147482.861 6805106.601 3016990.842 7177454.272 7582354.861 4295155.291 3577966.018 2741838.392 ACETONE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME 94565199.57 67251520.94 130422407.9 106196104.2 151707497.8 101531899.8 123790956.1 77776559.83 106270165.2 94912445.72 112462588.7 119435220.7 68109058.27 82952237.69 Acetonitrile 539274.1136 461478.2386 355492.2852 375302.6311 193334.3475 231434.6944 161058.4156 168665.1105 119883.789 137505.1347 244618.0469 174682.5431 167790.6632 172260.3932 Acetyl adenylate 5193708.135 4758592.083 924193.6577 4499760.386 2242586.834 4160589.405 2733414.416 5363831.33 5252870.409 5392196.637 19091663.1 6562842.035 10143770.07 6648913.176 Acetyl-CoA 20275758.88 6955696.337 36750782.41 20474361.23 13510876.05 6156538.507 16753367.82 7445348.41 11489120.71 10404707.47 3181830.966 11398992.2 3195235.364 4524767.657 Acetylenedicarboxylate 29223.4529 26880.31746 26725.32412 28779.52445 32080.52498 84032.63516 99061.42801 144630.3774 68296.31086 197054.3589 40108.91397 53944.33008 56648.71757 52868.30534 Acetylisoniazid 840266.7258 283144.9881 593745.483 486985.9589 522766.5782 742399.4504 518371.0461 1015504.338 1042207.382 1166965.73 1181400.524 598538.2927 1069484.647 639079.1459 Acetyl-L-carnitine 2527654.98 1958628.596 4503662.4 3066453.813 1799181.412 1928888.857 4855380.372 3958790.749 2975559.246 4250662.084 3141342.717 4067929.927 2083848.7 4303636.92 acetyltaurine 7277878.123 6771591.858 12359067.58 13905791.33 9572149.415 11305134.74 11066307.74 11205170.67 16022126.87 17451196.13 12747949.53 10148129.58 12390978.32 15590120.68 Aconitic acid 10089300.71 3277791.886 4162340.831 3533747.74 427970.9911 437172.2835 440858.2336 418204.3891 448219.6674 429721.4983 413697.7878 447757.8544 423831.7351 412945.4822 ACROLEIN O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME 793425.7933 1857298.735 885072.1208 1335485.387 2434712.524 2505925.593 1093737.404 1512017.809 1878628.819 3467814.154 2081210.861 2900308.029 1976059.84 1821724.853 Actinorhodine 4160637.969 2178655.784 3256898.092 4063858.383 10022054.08 4503597.689 7998412.394 5649332.222 6923144.767 7563221.424 12190143.26 17835236.8 3324304.089 3247812.3 Adefovir 1183403.763 1283889.461 1191220.559 1160570.29 1355885.638 1420649.875 1385732.791 1328411.658 1381547.643 695213.7015 1439195.366 1226314.447 952553.8621 1264345.863 Adenine 21150428.77 23353783.66 32323323.16 32716004.65 39803376.43 33981919.92 39224529.95 47846975.09 41389507.34 34194010.9 63122362.02 55642177.98 24338320.76 27423776.31 ADENINE HYDROCHLORIDE 35757.38518 119285.9682 106346.7279 227567.61 124412.4154 127001.3272 240159.8654 135333.3318 641742.9444 259847.4598 259862.4326 285213.6077 260140.6762 173260.2139 Adenophostin A 679580.3285 418644.6475 910566.5579 1008334.412 702599.5148 465451.4192 743241.3581 328489.9596 635415.6533 583413.6473 814982.1609 638301.1722 610127.2611 809751.7598 Adenosine 201608389.3 138757562.6 236762363.4 203791124.9 125145560.8 102477663.8 307586769.4 237155505.4 148556116.7 134312208.8 364965482.6 372854279 70652819.12 51691691.8 Adenosine tetraphosphate 35059.29238 33560.3577 33276.17191 33084.90042 50351.96613 127507.9169 47944.69786 38693.66749 48545.19997 36779.69999 47088.07008 48600.31824 41038.45954 41998.55451 Adenosine thiamine diphosphate 15034361.18 7732191.062 11017029.88 8625417.593 2006266.983 3214683.691 2313637.158 2563345.764 1857261.317 1087325.392 2057942.666 558399.9514 667840.3579 1949532.64 Adenosine thiamine triphosphate 4807529.052 2917561.494 3325996.639 2366547.39 1375630.963 3473932.613 2258293.298 1239495.896 953522.9384 2971494.097 1208142.645 969303.83 453294.3269 596138.9071 Adenylo-succinate 6250008.922 11090634.16 10528838.72 11756857.58 22948031.88 14575260.14 11727279.77 18114752.82 25792732.78 34729614.06 27580302.76 11080130.93 9679136.674 12916607.6 Adenylsuccinic acid 5182903.934 2953964.493 4020598.761 3089067.664 1126045.108 1213399.614 2120874.342 1823848.241 2449766.252 887153.8778 1869829.175 2091443.22 1508247.612 2072437.161 ADP 3590205.23 2613526.291 2737732.459 2443429.297 1841574.368 983011.4592 1095682.635 1774393.846 1007235.922 1241528.734 956803.8204 833264.1412 1335706.401 1451343.916 ADP Ribose 2049507.714 2511338.071 5050321.451 4379614.404 10042650.86 5914359.684 33448801.01 4911917.464 5703225.281 7999251.353 6962562.59 8278779.44 4033038.889 6837798.154 ADP ribose 1'',2''-cyclic phosphate 6017311.491 6432656.608 7303730.525 5589457.12 472518.9994 462443.4014 862563.2682 440655.8772 456839.2846 484823.4784 678330.5846 536814.0187 525384.5883 535664.7038 ADP-ribose 2'-phosphate 2927391.569 3084808.955 4429225.351 6552835.705 600548.5535 1030778.965 2060417.546 583985.9398 910469.4965 791915.146 738368.7074 1053357.179 573286.2429 586360.0138 ADPribose2'-phosphate 8944153.9 5468099.443 7844082.655 10267788.14 22622869.89 19409387.53 20565736.37 17781622.78 26509779.91 19943696.02 30608989.27 24463982.38 18670688.06 15614859.15 Adrenic acid 66670.42409 247920.1712 412611.8868 91562.76778 331780.2544 156134.1626 351424.1298 170660.4625 763710.3237 364821.5537 406929.7106 407527.6795 905125.8373 877735.8561 Agaritine 835021.3425 2853061.882 1853477.513 2671464.932 1034829.369 763304.7762 1784882.84 1794456.739 2421561.294 1860433.305 5465359.311 979212.161 1865281.14 2398420.379 Aglepristone 163020.5913 137791.2828 261061.2399 350714.9567 130232.3675 136615.8098 134919.5286 133833.8511 145920.0325 150740.3995 183328.0811 149079.1502 126444.8469 111254.6628 Alafosfalin 262369.3271 133107.3968 362444.0219 190964.19 353348.0053 253559.8717 832784.9742 463873.3548 236965.602 265307.4285 327128.1813 600408.7209 67495.81875 151261.1852 Alanine conjugated chenodeoxycholic acid 2366574.65 779237.1002 1632776.07 490046.9718 670829.1177 416947.8544 564872.3625 697542.5328 4154093.787 732187.614 680846.0841 601315.3405 828793.1547 926664.4239 Alanycarb 5716833.929 2605406.868 7844749.179 6358348.64 2734158.551 1912834.567 3145465.754 5913544.359 4058651.064 3420781.053 3905448.403 3709632.76 3220954.744 2301056.016 Alinidine 92432430.86 125941588.1 95157111.41 123614811 283979243.6 293955231.5 131923078.1 168566154.5 233479069.5 213573129.2 225423327.2 222793682.5 189738208.2 159947409 Alizarin 15115663.03 8604550.611 17087437.55 12136494.54 8152964.02 6781945.21 4229153.764 6842853.54 5735004.413 4132686.469 8809715.518 8845715.664 4247675.855 4463920.365 alkyl-DHAP 356549.0325 379057.6621 355770.1205 345655.6771 435598.4372 317514.5275 327205.6 436331.8827 309824.0193 464994.8306 404144.8843 393312.2958 387462.8117 421722.4956 Allicin 325476.1692 306247.9617 266892.1439 208815.4899 835597.2138 301302.2125 313673.9247 206735.9174 400286.3766 948662.0549 431108.4329 1225057.216 350355.2188 320542.1919 Allopurinol 594477069.9 698504921 538208225.2 456292908 695317630.9 715981109.5 699100654.4 806925231.4 842798299.4 822121551.4 707173931.8 538215291.5 886005407.1 900879792 Allyl cysteine 35943285.6 40175733.17 41230064.17 67738283.77 21331248.33 26997774.06 24784144.98 22674551.61 15726089.01 17898673.49 12486405.91 12967033.12 18166739.09 8731699.529 Allylsulfenate 1336896.479 408654.2124 2151682.195 1027684.186 492722.603 203360.6546 104726.0305 87515.79336 358781.9574 185117.5444 115046.2309 128844.0307 73868.19454 160206.2174 yl-(1->4)-alpha-D-glucopyranose 602519.2784 147502.8075 613530.762 486288.629 889817.499 438778.2427 1014684.767 46071.84323 779809.4335 46700.35621 47349.60878 210986.283 443904.8343 847789.1918 alpha-Guanidinoglutaric acid 348454.07 357157.9057 410199.4989 412046.6715 418188.5596 460166.5174 464046.3398 428215.6883 446346.3618 439427.7489 453819.9241 420176.3208 446124.2876 461400.0043 yl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose" 181187.7353 75057.72858 238262.957 212138.2339 263782.7242 194560.3346 353302.8304 33633.80129 165512.7438 37259.07189 35644.50748 35491.51737 224774.4434 269103.3847 alpha-Peltatin 2188480.274 1369899.163 1874649.446 2857002.227 1846836.051 1229021.28 1661970.642 971221.7528 673031.8265 631932.567 278101.1539 412999.134 412433.4585 194072.3973 Alprazolam 1214764.701 981759.045 1283809.448 491005.1884 511632.5155 435986.909 484960.5731 387957.1715 511582.1818 485284.3182 1084835.846 1115783.699 365222.909 402334.6065 Alprenolol 1813867.727 691154.8253 1268839.53 1518732.441 2974472.727 2011162.994 1952477.93 1562438.844 1764671.003 2256173.433 2489645.296 2672364.921 1441551.872 1527332.851 amidithion 7401813.904 4422577.695 11518152.7 8379442.767 9701953.378 6732357.014 2454293.043 3550613.52 10421411.81 10184123.14 4610882.216 4496476.384 4833481.504 5548253.12 Aminofurantoin 103369.1818 126094.2118 100694.6704 129319.005 170034.1273 166123.449 150424.9501 173728.6799 140913.2526 184050.9616 122337.017 235981.4968 155271.2371 126462.1902 Aminomethanesulfonic acid 230479.8385 259280.9999 794436.522 1222625.909 3029977.26 7043464.769 4740913.92 3422949.235 19053676.81 15411932.17 21813098.33 21917489.7 4564899.584 4289401.717 Aminomethylphosphonic acid 8671212.991 9480215.676 20775436.98 12316334.95 24166814.84 20788104.85 23119797.08 17833221.8 23379498.4 18264720.25 16378111.01 11226816.94 14171863.34 19798771.72 Amioca 278886.184 77977.36218 492150.924 256461.5228 386255.3422 179307.8838 351325.4783 49216.70272 477700.1967 47338.59858 50157.51446 55622.29475 282481.4447 233558.8215 Ammonium chloride 139309324.3 178421935.6 153799530.9 157563588.3 149779059.1 190700415.8 161128055.9 203981186.4 196414856.8 169434000.1 280257225.5 161848274 220656727.5 258195055.5 Amylopectin 565991.6334 224138.4988 982542.937 801029.8857 1023243.452 553839.7396 1058350.471 496203.5311 1364091.753 1222491.374 106134.1266 189256.9622 747111.6454 1132257.749 Anserine 4675051.965 3718667.735 10249939.01 9552979.698 19051003.61 21801409.48 5610105.224 10531461.41 12624333.89 10379183.17 5920369.795 5715089.461 7904116.754 10013203.1 Antigastrin 575300852 423525146.1 664612323.7 582636095.4 706151877.6 658728451.6 435228900.6 530914645.8 644214569.5 523493424.4 884592434.5 1041267230 461608407.9 456743140.1 Apigenin 6-C-glucosyl-O-arabinoside 753050.6787 820424.2536 773417.4215 777810.3487 896454.25 949871.4453 898701.6312 920039.8227 924839.2379 883603.8498 920918.1553 909757.2941 906633.3512 944261.6206 Arachidonoylcholine 2391107.267 4663551.77 2127677.613 1773911.777 1463541.274 4874743.132 2336882.309 5263097.525 2130630.355 2324411.678 3828964.092 2144933.553 5387836.551 3277880.027 Arbutin;Arbutoside 18417551.86 8014923.549 3826628.985 3970254.996 18640166.61 12592983.73 40931041.54 25042525.6 19526432.31 19547154.64 21981308.16 23957907.82 9331963.929 11422268.08 Arctic acid 5820499.337 2352989.371 5175370.373 5149348.881 8013126.341 7635633.592 2323280.786 9902469.549 9044509.444 8520234.159 6114029.874 5527260.339 7380816.153 10405917.82 Arginine hydrochloride 6723381.729 7638053.839 4487955.462 7583060.513 8236999.759 5061142.657 5168649.953 5674958.078 5673338.215 8144460.159 2785924.542 3526177.077 2938135.031 3569344.529 Argininosuccinic acid 352677.1089 262214.5513 502818.478 394901.5936 421958.6218 358698.518 291115.5638 321918.3377 394395.0395 335125.2266 498711.0245 505152.1248 408796.1649 452845.8819 Arofylline 3793092.116 940612.6497 4014675.598 3489475.163 1998727.812 674651.8111 2946148.19 893452.3336 2492894.831 550257.3751 1085642.727 6731430.456 356550.6606 642693.7466 Articaine 332310531.3 152508863.1 461027087.5 289033037.8 249118760.9 144623815.1 375761942.2 200415306.2 231333287.4 192263822.6 334075194.9 359001085.9 133950372 182677225.7 Ascorbic acid 2-sulfate 10132166.34 4133976.453 15493457.4 6015724.616 11887071.84 8434512.449 7522933.201 8496801.533 8287008.092 8387323.306 12159201.56 6127515.56 2848818.41 1034794.905 Asparaginamide 6648381.14 4685163.096 9813348.659 7917238.319 55515660.24 43052846.22 77737149.64 59853421.57 63352440.03 54539298.9 64727542.88 69122890.82 40690668.52 42082495.53 Asparagine 105401763 84466540.51 98498105.43 89864256.77 236553258.7 197326246.9 253615368.8 159366458.6 164293966.2 143588715.9 171436357.2 193654615.8 85385259.48 81143649.38 Asparaginylglutamic acid 6416962.853 3922078.493 9402279.412 6038820.477 6607942.85 4538765.869 6621556.243 4399222.124 6199435.019 3959462.942 2660054.618 6054955.333 3273338.742 3504030.921 Asp-Asp 2905641.673 887282.5769 1518419.941 2032823.564 6149546.11 3337583.133 2632214.436 3493869.345 4200734.233 3323621.516 4252719.49 4799396.311 2529048.442 3397667.73 Avagacestat 1453937.624 215184.1524 9928908.241 8140539.312 11048633.99 2902591.28 3305570.593 3095224.74 15346708.76 6793967.451 422160.4705 945652.1541 4106661.592 2747621.201 Azelaicacid 167474.9806 182522.9288 199554.0952 225580.6646 315504.4107 337536.2013 303559.2612 378982.6359 292909.9598 218706.4665 255863.2932 231090.2589 276703.1917 285941.449 Baquiloprim 2444212.955 1299102.283 1298915.765 1323874.761 1414031.518 1154921.043 1446715.208 795463.6272 1390381.612 1223700.046 1259536.188 1714423.781 935309.4427 559469.9725 Bemetizide 1841697.657 6214210.11 5098249.889 8165412.647 27762145.52 24707039.92 31637182.7 16379080.67 30622212.8 28442161.24 31201224.4 37806403.34 20758563.08 18171526 Benzenesulfonamidothiourea 57954422.88 24770609.54 118980496.6 80578115.77 113714325.2 65950699.45 69708783.91 46789950.05 91766556.34 83504102.33 82979461.51 76117875.42 26960348.63 37824797.3 Benzimidazole 53723.85668 51426.93207 50991.45389 50698.35493 74530.95632 63598.79533 73469.08342 56058.97309 74389.27568 56360.16009 67081.91709 74473.73734 61843.86757 64357.38346 Benzofurazan 259291.6053 240405.8905 292661.407 159750.064 370025.8151 337044.0076 391706.4372 311381.0916 370322.9534 448643.4887 392823.4609 404050.6779 321491.2587 366127.2455 Benzoyl L-arginine methyl ester 1684438.351 512506.0165 195014.978 493199.7398 1402795.517 600605.1389 1302733.192 802727.2387 976265.8789 870286.0612 1313028.628 1638054.393 859687.6305 370843.56 beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp 961909.0203 390535.6762 1192911.174 882613.553 526862.0887 495694.0567 2512749.623 206531.6766 577121.4725 322457.1041 636847.2939 871713.9695 1248644.457 1560631.28 beta-D-Glucopyranosylurea 1915627.637 1194931.338 1137674.668 893502.4449 5056221.81 5036479.905 2477290.743 2474768.637 2831411.88 1769487.45 947217.3911 1293273.951 806647.5571 797239.1183 beta-Glycerophosphoricacid 41989.54008 368730.9019 80269.25809 222601.9073 1158061.232 571481.9819 199627.1559 455930.8802 828747.4251 942419.6161 296136.3787 599392.6734 266495.6383 174202.1024 beta-L-Dioxolane-cytidine 182121.8279 104167.3701 170399.9356 201921.4588 258504.6132 62870.7624 186851.7076 193551.4546 152385.7629 281299.9094 328562.6152 164364.4146 89814.90235 138932.3787 beta-nicotinate D-ribonucleotide 2541825.101 2291038.654 2045836.915 3258164.503 455854.2581 458365.2728 560270.65 490381.1025 471502.4967 452261.1521 493570.0491 467650.0378 420020.0143 436023.4862 Bifeprunox 132538.9074 92952.74324 233836.4594 134698.8821 107651.3484 85366.89657 80139.15749 76278.78419 98430.91449 93605.75374 84019.93846 102185.7485 84169.92132 78859.5713 Biochanin a 7-sulfate 108239.5365 42020.58639 48065.96612 48787.01484 265205.6873 130636.6756 114408.6923 85902.42248 123290.735 116353.5047 107501.3862 133246.3656 32620.50482 57409.1998 BioMed 101 1653490.414 1534425.985 2960724.352 1436233.505 2484267.834 1764513.645 2550318.242 1280849.483 2686635.026 1852396.065 192922.6303 2521751.159 1305752.428 934120.3414 Biotin amide 399447.5337 320585.5041 503622.8126 392171.8517 355484.5167 244614.1393 430037.3518 318520.8357 367501.8818 314006.3442 396896.4027 433166.1235 241361.4815 260552.5004 Bis(2,4,6-trichlorophenyl) oxalate 2762837.766 3370104.84 2930127.512 3242071.758 2891014.401 3759169.156 2783335.66 3987496.958 3129999.516 3814865.746 5376726.46 685491.2556 5829296.895 3400093.712 Bis(2-methyl-3-furyl)tetrasulfide 1178819.719 753473.7316 1616918.189 1256597.093 8202832.49 1809946.345 741111.3953 4561813.526 4314157.491 3518529.706 6820865.909 6662228.996 384921.0944 2886760.288 Bis-A-tda 418469.3606 441760.2688 365033.2115 534502.8214 1385254.947 911056.5355 378641.1239 462457.0997 516270.9492 423541.1008 485340.943 855916.4518 488105.7676 128192.9471 Bis-gamma-glutamylcystine 1841057.755 697080.6751 1013508.406 1318097.326 1863334.095 797207.8821 992239.2616 1165018.709 1052795.001 1282537.874 1213538.182 1681275.019 469577.2198 764881.0967 Bisphenol S 443249994.6 237938138.1 865963762.4 532263431.6 478352693.2 255099318 995416856.1 399599029.8 521357969.3 645231219 412644351.7 799472519.8 201188065.5 287259341.4 Blestriarene B 810785.0051 876406.2746 781512.1867 693264.1414 851392.4257 410860.1166 831732.229 1007147.721 1010812.206 30203.79111 763603.1123 53990.18289 629173.0387 48798.18513 Boscalid 15191593.45 15975220.41 42565394.8 44048385 88092593.88 43880412.86 50079028.01 42753785.99 102796272.9 70545154.07 23408881.03 21121388.23 39842046.48 36734075.5 Bromopyruvic acid 37620.05375 37391.27628 31704.65766 213035.8841 715018.9113 317559.9953 442190.7957 402462.543 463459.7735 376367.8462 298056.9005 339623.8306 340551.8284 325181.2256 Buprenorphine 3-beta-D-Glucuronide 28933481.46 20241924.53 21226414.88 36897433.92 30961525.72 42524704.31 30474197.12 88744447.68 35572764.68 20780095.11 48159851.72 46421145.65 26807862.01 22925346.75 Butanoate 3284512.678 4076001.778 5914843.57 5752664.607 8665609.664 23838567.06 5905275.377 6111144.314 7154920.131 7706485.078 4613845.735 9056310.464 5122675.181 3286552.204 butanoyl-CoA 1422276.288 1657458.209 3081567.169 2319556.563 2054014.863 1180399.291 2197164.882 1087407.305 1931449.199 1402859.035 1885930.462 552338.7949 862456.514 975599.2028 Butyl 3-(2-butoxy-2-oxoethyl)-3-hydroxy-4-oxo-2-oxetanecarboxylate 4332157.992 2682015.219 4378016.6 3207608.339 6448121.559 5248570.981 4297493.274 4686663.106 5357914.892 14868869.3 3857882.851 4447344.474 3077751.079 2436363.779 Butylparaben 73773430.32 40630579.44 58642918.75 75156713.68 72085552.36 87170392.97 101970324.9 97257746.12 86165526.22 72398395.42 123085831.3 96749100.21 78920167.16 76145057.11 C14EOx 1032717.94 279843.9615 1087240.528 1369173.713 1964270.326 1713676.838 1380992.795 1040531.331 1865840.13 1130318.02 2546759.099 1719510.576 1127296.97 1003214.972 C16EOx 380867.5761 54877.31092 446996.817 460284.4768 893097.1329 677575.2566 411156.4493 245658.674 731911.6456 341145.9817 1077450.181 697623.6818 398907.1964 249847.7837 Cadusafos 239463.6085 144601.0775 222394.0331 214149.9623 332692.4858 306644.0707 282947.3356 255934.2983 244601.1782 246002.2022 254410.4866 210555.6488 199505.9436 214694.2021 Caffeine 488931.0952 272850.9974 297861.0362 607277.4596 871186.9425 278288.5168 591027.4772 119013.2348 1079143.52 134724.0852 80699.74157 705775.0668 1006056.309 961449.3395 Caged insp3 923908.0097 881371.3791 1155968.076 1371482.779 4815361.347 3391490.182 2446019.842 2434207.477 4944386.396 4570316.338 4094917.946 2485654.57 4207182.911 4160783.778 Captamine, TMS derivative 1382912.917 1506638.703 1420314.691 1428381.925 1646261.263 1744357.356 1654730.878 1689574.143 1698387.857 2844470.945 1691187.125 1614753.269 7377494.277 5328987.382 CAR 16:4 3342140.754 3192399.355 5560455.33 4423196.641 2093576.876 3366474.691 5147302.95 1610912.034 297103.0762 2435651.661 136445.6274 3441505.184 2296754.532 892228.1971 Carbendazim 96044.93027 90243.33822 89490.30376 100437.9552 149041.7256 125838.2491 136620.2345 143657.0131 127918.4422 140200.6198 170522.7142 122091.3944 119008.4031 119734.1123 Carbocysteine-lysine 2047546.151 780878.0016 1499544.091 1528063.741 2380786.002 2101666.984 2446725.633 1782672.272 2050442.025 1509417.593 2587684.393 3080884.67 982252.9728 921684.7926 Carboxyifosfamide 13253694.25 4223667.241 12975117.89 13565492.63 1981466.403 1045636.573 2633377.979 1152017.606 1104264.043 1220722.462 1176717.53 2091478.994 907101.12 1114575.185 Carglumic acid 1064491.683 694100.3882 2029516.401 1901562.975 3462182.951 2223305.011 1780320.486 1297964.992 2549309.654 1559261.809 1463554.921 1004208.07 1228723.942 1299467.669 Carisoprodol 10025341.06 8636321.646 11495080.81 14190419.16 12640605.48 10094797.81 8677333.979 7617862.196 8901720.022 11279694.02 7705856.902 8614172.223 8337100.183 10748973.86 cartilagineal 94435.29218 76018.40235 110524.1509 92290.63005 90741.96321 87331.09349 74927.76873 81115.96197 87079.64155 91414.97796 96112.15826 98253.28006 69466.57539 71620.0871 Caudatoside 7942879.145 47879.03759 131000.8321 4944703.033 8429645.15 5704740.03 70999.86866 6388673.659 5358687.009 5833860.78 4682212.767 402635.5465 2128266.726 127297.9581 CDP 15394598.23 8827029.195 9894615.747 10787403.48 4362357.615 5778963.106 6741109.49 4094199.762 5591215.944 6455042.517 4612518.278 7916667.555 3470523.128 5874145.863 CDP-DG(18:1(12Z)-2OH(9,10)/18:1(11Z)) 1418600.957 3377578.468 918988.5397 1236845.855 1424799.666 1549316.702 1787638.738 1939989.362 1451743.17 2784266.123 4168382.007 1459493.969 2065577.738 1433595.65 CDP-DG(18:1(12Z)-2OH(9,10)/i-19:0) 3835452.719 3144252.612 2705891.456 2576519.943 5244460.886 7017778.056 7898422.677 6541732.627 8563333.114 6819781.708 8989909.173 813433.5197 6741673.042 7222409.089 CDP-DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)-OH(18R)) 1418600.957 3377578.468 960807.4986 743901.8716 1424799.666 1549316.702 1787638.738 1939989.362 1451743.17 2784266.123 4168382.007 854583.0084 2065577.738 4311040.116 CDP-DG(18:1(9Z)/22:3(10Z,13Z,16Z)) 6774940.37 5417647.745 5627023.443 4527422.607 6139495.426 5599490.682 3463305.432 6118803.03 4150074.771 4850228.097 617292.2131 3189413.195 1486912.306 2390693.889 CDP-DG(18:3(9,11,15)-OH(13)/i-21:0) 130796.2803 117487.2594 172783.1078 171463.1541 1862332.494 2164875.18 788736.7415 2666040.424 1317375.988 1988374.686 1914578.943 1250717.15 1829346.521 1375295.517 CDP-DG(22:3(10Z,13Z,16Z)/TXB2) 1709901.566 2628299.55 1159978.64 2675417.879 1110140.183 840055.9352 1087923.279 2190031.41 1575882.605 1394144.741 1257147.31 685765.6932 2170893.098 1296840.249 CDP-DG(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/i-12:0) 2639461.576 3140926.289 2863506.135 1277067.391 5106965.097 3026363.108 5665069.797 2273013.951 4706402.085 3268289.229 3184024.83 5295796.473 3180886.148 3630700.117 CDP-DG(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/i-21:0) 8728080.212 33125910.23 44597666.06 13683387.9 55701105.1 49926493.27 46825888.42 38118683.05 6334928.307 44776202.98 25614676.09 62535160.72 54297161.62 35350452.63 CDP-DG(a-21:0/i-20:0) 1421200.4 2219255.707 1693010.79 891520.9559 1895454.327 2906246.972 2154141.328 2403371.908 2440582.325 1937587.174 2194412.62 580585.9913 2547653.354 1386728.978 CDP-DG(i-17:0/LTE4) 2946681.059 5360494.824 3046426.549 3286817.999 1716608.773 2605607.988 1801010.817 3066959.516 2734961.732 2230697.721 2362037.957 682716.3399 3983010.636 3856923.414 CDP-DG(LTE4/i-17:0) 76640.8164 69382.86768 102767.7635 95958.72474 334361.4336 120829.7573 128764.6799 258661.7979 113617.8495 272741.5801 242415.5655 257392.3558 174339.3451 220949.6379 CDP-DG(PGD2/i-12:0) 3611442.299 2240918.113 4942381.527 3175109.065 3381186.994 2408644.626 2549400.282 2761851.313 3449269.598 2197830.715 3407693.079 1416196.921 1106798.099 1818435.002 CDP-DG(PGJ2/i-13:0) 4566357.904 3140926.289 6277784.584 2969806.166 5106965.097 3026363.108 5665069.797 3475931.077 4706402.085 3650298.55 4914789.217 1108367.444 3180886.148 3630700.117 CDP-ethanolamine 15353740.63 10447112.71 23388983.81 17960453.27 25431081.6 20964265.06 13185898.64 13134668.44 25053571.27 26578688.44 16952310.47 16643521.99 13475219.63 17820828.07 CDP-glucose 6483198.29 5704771.538 8840294.228 7680892.641 7886436.575 4969514.269 6552442.586 3674440.433 8363899.143 7167312.839 7047360.689 3961412.79 2456837.762 5126591.254 CDP-ribitol 2391121.991 1346826.572 3049190.379 2340153.101 5076899.776 3792470.062 97468.63134 3586260.138 5349298.901 5866757.338 2737132.663 2532286.133 2142197.31 2746786.288 CE(16:2) 130062.821 123300.6624 1475376.12 6743837.322 135395707.3 179684445.5 196202976.6 80007492.94 270766408.9 211365305.9 339794234.4 344049777.4 56146858.13 48523649.51 CE(7F7) 225688.9108 158238.7363 331853.8949 217870.7492 165525.5581 151437.1436 134748.5627 138518.1428 181150.5339 173137.0017 152405.4085 150527.8844 147347.6224 131409.2699 Cefaclor 8913468.43 5136239.157 11716444.05 6940151.801 6766540.254 3689841.294 11054884.08 6291626.662 7369814.213 6942859.48 11332478.98 11398656.61 3108972.379 355313.1604 Cefazolin 19262574.92 33940414.86 17873390.67 16823295.25 42864423.28 41225044.03 42168624.47 47090229.01 20620589.64 57891571.58 38091820.22 29833507.3 33599859.49 37749027.44 Cephaloglycin 1153175.572 931917.4766 951132.4686 1368179.638 2960252.899 1894278.063 3589026.785 1042259.52 2418718.341 2046591.399 1342921.534 1818477.104 1265851.94 1120624.624 Cephalosporanic acid 2479659.925 3924802.86 3562710.591 4166415.217 1473793.96 570203.6472 4413150.143 4605054.783 3518706.78 1738322.707 1299610.535 867002.704 642281.6996 700272.4373 Cer 16:3;2O/16:4 1200316.323 1047495.224 1098262.113 847014.8893 1147279.559 3199409.495 1405812.775 1537930.808 1727184.499 1519669.151 861510.9358 551368.8672 2211831.441 2190592.018 Cer 19:0;2O/2:0 3718583.79 1177756.546 2572074.817 6051246.027 6927167.637 7452401.221 4096157.856 2977721.924 7244672.726 2225418.457 9376537.136 6616005.047 5093138.087 3001763.649 Cer 20:0;2O/2:0 816203.5602 262719.1918 705919.8377 1464269.461 1625275.111 1845030.236 880125.3726 680830.5137 1617600.736 445205.4234 1133870.626 731347.1648 1234942.157 714447.132 Cer 21:0;2O/2:0 537485.4755 160853.5419 438058.4891 1208980.258 1200532.08 1449095.171 674510.195 611154.0907 1329640.443 366863.426 1836100.47 1337334.672 1057288.768 601581.2878 Cer 21:0;3O/12:0;(2OH) 46342317.49 27726720.23 61947131.6 45277179.44 42727203.42 28920267.46 45503865.94 27595055.82 40516044.3 28975077.89 43305303.7 31617939.01 24112481.89 27864576.47 Cer 22:0;2O/2:0 997603.5194 255868.0689 701060.8401 1538970.32 1608661.304 1756998.416 837373.0172 517650.0166 1903293.746 496134.7029 2317405.978 1268446.692 1441818.396 839431.5356 Cer 23:0;2O/2:0 2228038.296 761442.4452 1686793.978 3731766.646 4408813.448 4993690.039 2426614.854 1867708.984 4770223.176 1363400.662 6299710.532 4354634.532 3141932.081 2105596.27 Cer 27:3;2O/16:2;(3OH) 4058875.908 3442731.2 1899984.969 3399343.332 2219165.333 2210691.12 2739493.619 4691104.294 3191313.786 7341504.332 2207807.917 9017275.598 1294181.342 3534717.403 Cer 37:3;2O/24:6 499938.8645 1815776.115 306450.2995 992029.2445 631715.2708 856829.6389 1163171.37 926046.9965 1500149.67 1257750.709 535307.6063 469391.2142 531771.9778 845435.9872 Cer(d16:1/16:0) 97516.66588 95203.98733 125913.4367 123173.1914 253959.0593 213164.7503 167425.2668 325816.2786 536316.6021 247708.4697 537964.5241 149300.063 290380.7607 234248.1753 Cer(d16:1/23:0) 3482125.027 1512553.537 4630593.135 3016121.45 3508190.143 1960594.843 3786768.19 1803735.561 2695498.403 1846515.759 2580314.477 554327.8892 1243299.432 1571049.485 Cer(d18:0/20:0) 25185892.59 10098469.46 20987565.65 15973080.12 120775629.1 13189082.42 19857438.14 2884354.079 21799589.69 638915.5034 40791258.06 3085003.701 682870.9734 670345.4329 Cer(d18:0/22:0) 3933504.341 1902000.545 4251965.213 3946355.226 3283146.372 938194.3944 3446658.289 2229432.755 3160941.367 2248203.301 774273.4361 956048.2473 1935816.617 1202684.866 Cer(d18:0/5-iso PGF2VI) 68887.3964 65942.16562 65383.77388 65007.94784 98935.70622 231999.2031 406690.0016 90868.39852 1401895.269 547889.3346 4889425.336 5080675.935 80635.75842 82522.23239 Cer(d18:1/17:0) 581261033.4 447302972.1 717741985.1 625427064 618376720.8 512740756 677091853.5 530424599.1 671734815.9 508356646.4 502353808.7 572225157.6 515485494.6 575542716.8 Cer(d18:1/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 76865.46692 69554.85093 123983.9526 521856.2717 5558839.474 7713438.71 7578581.592 3444312.78 10040921.27 7713294.282 10260536.87 12031518.17 3062611.965 2085999.975 Cer(d18:1/23:0) 2247438.338 3485419.921 2597240.894 4038730.927 2484506.122 3656963.128 1801683.481 4315590.282 4618636.395 5009613.313 4378437.335 8087394.256 6901795.429 7504727.666 Cer(d18:1/PGE1) 43327.89453 37988.51146 46858.76175 44681.4516 59292.59569 55061.64213 51166.00347 52111.5845 60065.90564 57198.84159 53498.41139 53017.12938 46758.04457 47297.76877 Cer(d18:2(4E,14Z)/20:4(5Z,7E,11Z,14Z)-OH(9)) 22767.69488 21609.10928 21714.56194 23865.3189 38604.55487 34855.01377 31648.10528 35012.76943 30413.29217 31428.91621 30859.80861 28443.31148 28262.35342 27937.13822 Cer(d18:2(4E,14Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) 13175856.51 7953378.846 17845436.08 12814902.71 12231264.82 7981799.958 12479040.87 7777229.31 11884435.83 8105254.671 11045257.29 12110489.88 6552908.951 7869261.919 Cer(d20:1/18:3(9,11,15)-OH(13)) 599017.6611 606291.8765 571553.9219 583023.7059 662477.8912 674021.2429 664138.7014 679907.5821 639959.5495 652981.4713 680556.6681 672308.8141 670000.2265 679425.6548 Cer(d20:1/20:3(8Z,11Z,14Z)-2OH(5,6)) 47736.64957 4538501.98 4658919.495 2460694.109 548689.6067 137316.1706 323796.0984 401563.4524 133681.3758 340015.3219 177984.3276 745626.4291 48239.23856 108753.0303 Cer(d20:1/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 2870434.97 1436721.882 4194847.096 2582945.232 2916938.348 1350242.964 2910281.289 1865227.17 2364800.609 1596651.931 2775736.418 840321.8652 1370381.602 1047937.902 Cer(d20:1/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 64998.42142 62219.46095 61692.5927 61337.98358 93350.38138 79267.29967 85132.25782 85738.50616 90000.71455 85197.0865 2514000.402 2529316.087 76083.54039 77863.5152 Cer(d20:1/PGF1alpha) 18164.50921 17231.29148 17334.70974 19552.59214 31185.56835 25869.4543 25738.38027 26658.37079 24641.82274 25272.54612 25199.98127 23503.30602 23044.81269 22804.51731 Cer(t18:0/20:3(6,8,11)-OH(5)) 6604062.707 5827748.24 8201242.698 6930007.951 3413706.326 6272605.737 4613210.134 6793309.817 8531580.887 6150171.866 4308106.094 6753143.886 6383452.864 7223538.824 Cer(t18:0/PGF1alpha) 20068.22877 20059.15451 19953.27566 22208.16488 32955.10355 27553.58113 28459.60104 31830.51839 28284.46526 31229.57404 37704.83523 26913.24085 26117.11852 26474.80131 Cerebroside B 10212129.51 9330573.328 11825341.3 10755371.96 5062827.668 9488305.401 9088294.316 9989267.723 6230126.557 8996052.281 8094315.945 6895104.097 4856909.082 5126284.986 Cer-NP t35:3 7599743.373 4476839.177 11010321.9 7317369.091 6939803.641 4983696.229 7535350.584 5042918.032 7231625.85 4777242.322 7337406.266 8144147.461 3977168.182 4680675.318 Cer-NP t44:0 1643450.581 3317253.721 1971921.353 2018790.13 752220.0986 1484422.117 858436.0991 1724053.801 958452.5686 1101716.904 482921.8241 795002.2803 2349599.825 2055494.79 Cer-NS d45:1 242070.4844 198284.1123 983472.2289 215821.4905 725287.0363 221213.5091 1456654.343 230573.3059 1147833.901 811677.6795 147638.7247 1531022.501 153224.1406 174941.6351 Chebulinic acid 1051382.215 604220.4312 555402.2203 396341.3025 1531464.06 762876.6526 65817.00348 462078.7482 984362.6612 939092.4112 1810057.741 566518.7683 836851.0645 778906.944 Chivosazole E 638462.353 2123947.426 1877961.775 2146497.956 416951.5521 2315514.81 2276400.871 3652912.033 2214093.125 1105924.941 468302.8291 725818.4329 2070401.339 2124708.724 Chloralose 3874483.543 1752912.998 820357.8053 1197833.983 4250967.933 2878572.085 3349337.67 3142778.853 3034339.75 515817.6468 1174284.899 2539308.831 2631462.441 2549062.622 Chlorethylclonidine 19231.94147 18528.12734 18250.47987 19250.36793 29635.1233 32162.17954 27107.19502 23806.57198 29165.61426 23080.73858 22128.85844 27953.25158 23747.72803 24520.97211 CHLORIC ACID 5766622.027 13694740.53 9223448.374 10292543.88 2370452.046 5216137.449 3199074.408 5671338.725 5144828.915 6258390.73 4973794.242 2899093.562 7809358.31 8615603.021 Chloro 2,2-dichloroacetate 456910.5467 419600.818 160696.0916 124713.5054 120513.1428 111057.3893 118883.8281 108082.0632 115419.9613 114728.5046 116681.7863 202405.8246 106636.428 102081.5487 Chloroacetaldehyde 507228003.7 243768520.8 267084273.5 439419968 74912098.28 62201727.47 54576144.65 46669432.32 73286225.66 66929565.66 60889049.9 58560759.95 43112883.56 55602724.97 Chloroacetic acid 69146.94976 66190.62196 65630.12631 65252.88424 322874.4319 330187.0819 631017.7261 168137.5965 1417359.17 1463244.942 2311159.507 2043276.396 127003.445 132529.9248 Chloroacetyl chloride 637537.1161 187721.331 271255.5807 156039.5351 626754.9182 730436.1652 269461.5838 172483.2592 590031.4988 457208.2405 165599.508 359716.6538 210641.0713 190512.2117 Chlorocitric acid 381826.3225 209490.504 376838.3041 359013.1756 429309.1494 422964.993 422974.8125 443260.3104 262208.2502 429419.0504 78284.75871 470841.0085 64621.99874 103145.4479 chloromebuform 59914.71045 33005.86772 52388.06899 38300.58588 112243.2694 75411.15168 81215.00597 30327.39016 61918.10065 46081.94218 134257.7353 100580.867 55018.37122 33465.70789 Chloromethyl chloroformate 704029.9368 650496.0079 359119.8199 463339.5131 244737.89 288695.3492 116651.6677 415887.4612 174222.6027 116151.8961 511953.3644 240618.1168 193167.7867 128777.2668 Chloropyramine 785095.1924 580955.1359 989590.4148 954489.3489 1172201.119 747267.5462 1145132.867 1386645.746 1391691.027 1327016.923 1051332.377 1282202.766 866248.4156 1054056.395 Chlorphenesin 1310938.824 634560.9035 1622407.123 1160660.585 941441.473 668213.3916 1278953.687 580472.3407 880621.1404 1077777.525 1318456.253 2171876.341 142967.9626 189227.4724 Cholest-5-ene 2391107.267 2352940.519 2331873.686 1820217.59 2601743.172 4284067.89 1605095.207 1301629.087 3708686.526 1501443.232 1809201.934 2404289.335 4299790.304 3393040.908 Cholesterol sulfate 1114913.253 688775.8532 1723847.538 2370311.728 5619350.719 4592979.387 1001252.436 538584.4339 3437162.214 602371.7296 5583679.941 3670427.692 1050631.77 590534.9206 Cholesteryl caprylate 20501.31733 19751.04899 19455.07581 20520.96001 31591.14579 34284.99665 28896.36535 25377.88956 31090.64751 24604.1486 23589.44102 29798.26462 25315.16171 27041.30313 Cidofovir 3031573.112 2047078.198 4235945.111 4447324.702 2791473.234 3247845.426 2294896.249 1774626.589 5700417.966 4469140.705 3735264.762 3479299.694 3493559.539 6772132.354 Citalopram aldehyde 1190586.992 1371672.377 1165323.146 1097011.255 1211608.705 1020809.976 1225294.908 1707376.302 2576458.808 2515762.386 1419718.435 713638.1411 7854250.931 5946459.562 Citicoline;cytidine5'diphosphocholine 12579116.66 10982112.83 15094100.62 12302767.88 17076209.54 14869769.48 4210928.754 12411504.44 19229612.1 20175007.23 15321941.25 12249968.27 9664893.563 12347821.18 Citric acid 233531282.4 80014169.99 6503966.552 9259728.023 522974018.1 395409902.3 643936661.7 358882255 254014285.3 332649138.9 418298730.5 523345323.7 278899161.6 237035500.8 CL 72:1 457672.4074 364663.8809 575719.2386 506879.2229 953947.9411 1340625.103 644309.5908 863066.1568 2406925.721 2073376.747 1625032.001 2092290.56 2203562.278 2431704.944 CL 84:11 9051076.326 8246070.951 9616384.76 7770142.86 8334592.848 8834128.314 2864901.134 1753435.792 6736733.405 5702954.952 5568617.93 3150054.671 3925836.953 4164874.871 CL(14:0/14:0/14:0/i-14:0) 19844165.69 11932494.28 26103784.33 19623102.36 18230076.01 12885385.49 19948993.29 12976010.17 18072742.65 12986982.72 19987002.25 10065399.4 10783534.31 12807467.53 CL(14:0/14:0/16:1(9Z)/14:0) 20871196.33 13315477.73 28819171.18 21441000.52 19545160.26 12777701.04 20115192.24 13293611.52 19497984.44 13007050.81 19682269.06 10194088.75 11092750.25 12957333.85 CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) 2350294.676 4640876.332 2475009.968 2874869.789 1579526.878 1993444.556 1394394.902 2911122.574 2241874.254 1852144.446 1892797.088 754700.4024 3685173.966 3424153.753 Cladribine 104550.8746 87740.85566 120265.1621 107199.1381 125762.1005 91304.91268 112399.1911 89327.02884 112239.1618 83947.65247 123224.213 146778.0397 69510.93277 62509.5256 Cl-amidine 433335.9061 173944.265 156253.8721 110296.5401 538393.8976 150580.907 156295.014 291353.0662 181304.6006 661515.6775 244863.1465 689466.9946 251003.7887 208430.8733 Cligosiban 2245357.712 3000488.989 4326714.574 3431133.226 2156347.098 1413078.492 7850819.997 1831991.066 2008341.087 2100040.871 5094853.511 3861797.388 2964353.226 3056196.163 Clobenpropit 37869.86321 36196.40443 31703.05242 33353.71949 27925.77312 26694.64012 27630.07924 27297.4007 26816.59128 27085.97397 26438.1806 26458.40806 27449.58205 26224.5849 Clopidol 5134451.85 5958352.064 4393169.576 5489847.261 7004341.289 5272552.797 6261300.236 6322803.804 7648245.823 7091147.893 7277945.356 6281906.463 6914722.606 6894723.807 CMP 26541623.83 14703601.55 32637864.7 26974445.72 36299164.07 26774291.05 20109071.45 24844457.07 30752852.87 30660489.79 24961050.5 24149259.85 15811678.98 17903036.35 CMP-N-acetyl-β-neuraminate 965498.278 543198.8841 350620.0521 287138.4832 12142949.16 661275.0952 699202.0115 1440567.809 1227630.788 4480371.226 2837420.507 1720324.583 1904181.694 2115543.453 CMP-N-glycoloyl-β-neuraminate 1720270.485 949419.4682 2871724.831 2023582.325 2534580.927 1789876.555 84658.10435 2156307.464 3197453.452 2709676.042 1698399.289 1531600.315 1725072.699 1987607.191 CoA 3348392.002 2469722.803 6780046.132 6529223.966 26183062.19 18779674.69 16823588.35 18748930.78 23041186.17 25918041.38 7161225.801 18846842.09 11444525.75 11781163.43 Coenzyme A 405597.7086 403202.1247 398487.0201 1063754.357 341949.0086 334657.5753 353678.697 318890.5431 330602.0301 350853.4217 344850.4923 388477.5464 371422.1896 327989.5936 Coenzyme Q9 278855.0987 163494.0324 284456.1737 236957.9622 271107.9455 155397.3594 212805.3715 228489.8345 181410.7939 248625.8704 135606.1256 332004.9509 122850.1257 149223.1168 Columbamide A 72871.39381 62024.44162 92409.77499 75989.42081 63322.24681 65856.96526 60630.41849 62765.99535 70949.98339 70332.78232 61583.37658 66010.59049 61480.65919 55171.5766 Constictic acid 3983191.692 1244065.344 9126254.949 6530403.824 2649180.188 4632779.064 111483.9005 13506052.07 6016024.367 4040554.51 7002712.397 9628845.871 1758650.951 2827792.262 Convicine 291720.9301 408195.7862 450216.6034 483371.5326 350630.3663 604454.2022 957383.346 1016227.42 446313.7566 849563.616 197123.8595 208710.4561 530312.4683 555510.3191 Creatine 1425192401 910555966.1 1724678932 1364888773 1140022969 1056386290 1600633872 982011868.6 1094596321 984593817.6 1382203290 1358739847 848373576.1 1062903313 Creatinine 3263525.718 4718211.346 8149600.538 3886002.739 7644574.405 4733037.774 13173869.11 10829798.19 9350604.307 9073745.756 9824649.064 12403447.07 7413907.425 6806178.792 Creatinine lactate 372195.4065 238982.3041 487032.1289 534414.7476 576924.8293 95439.99159 472753.9367 550770.1048 218810.2881 891418.506 659855.7803 668174.4887 279322.4838 563263.4162 Cucurbitacin B 82410.28057 53098.27233 94796.77519 80997.87725 94718.90102 71022.83986 88596.56997 70410.36758 74752.7971 60805.28862 97129.19199 115695.0574 53891.33461 49179.80294 Cyanidin 1573193.707 1706100.784 1604059.779 1564839.621 1849253.631 1984370.803 1906863.532 1901168.688 1932076.167 3599371.492 1963239.267 1810107.127 1881679.165 1972651.352 Cyanidin 3-(6''-acetylglucoside) 5169881.364 7756398.482 10778697.58 9841432.225 9155054.094 7024037.826 9365813.343 7975902.091 10075437.47 9244868.029 6196598.346 4265278.239 1980691.654 1920510.673 Cyanidin 3,5-diglucoside 2678138.663 2778396.366 985581.573 642290.6269 466040.3815 483082.4707 555060.2693 510770.4501 1154937.026 452503.4432 496757.6183 482400.4282 743460.8513 502601.2818 Cyanidin 3-O-arabinoside 105311.0902 200166.0697 246426.9762 253370.6656 242019.8293 99741.70183 109565.3649 141448.5013 91229.63266 96114.99725 283708.8011 182697.5954 315613.7567 285514.3386 Cyanoacetic acid 1439734.853 1599629.425 1548745.148 1464303.55 2561281.504 2067977.147 2030546.5 1775012.92 2530405.983 2094844.648 1287262.201 1704740.182 1231438.16 1337993.506 Cyclic ADP-ribose 4189841.708 2877825.669 3250395.289 2682385.167 2454253.049 1418980.06 1617004.195 1957455.101 1765412.606 3506240.875 1338430.614 1417434.66 751794.8564 1240450.169 CYCLOPENTADECANOLIDE 5642326.011 2627679.177 6689977.408 6647113.705 9704978.477 7848646.384 6441769.478 6637221.214 7808888.947 6990685.122 7557732.374 7918294.653 8457144.261 5725661.942 Cyclopentenylcytosine 6-triphosphate 1343923.987 1462129.108 1104217.718 1116499.695 1033387.37 1108706.376 1271823.237 1625768.043 651141.049 1311661.557 180598.7709 1094437.616 1355986.547 1805084.799 Cycloprothrin 46901657.14 26008321.02 36711545.93 35208885.51 33030482.87 37016197.57 22727128.48 21882857.73 26379738.05 27026700.39 20844310.71 15663763.56 25545175.89 21202896.63 cyclosulfamuron 440351.9361 1808966.149 1120372.852 1211030.851 3810510.292 5830765.2 4604527.133 4788565.55 4539564.879 5451821.957 6613960.985 7159697.074 6913298.628 6406807.274 Cysteic acid 83348538.47 82805766.09 127707009 79876467.88 47932986.79 64471300.54 67800466.12 68922530.64 85715167.21 73809495.78 86224291.47 69095599.27 48328605.73 53063614.96 Cysteine-glutathione disulfide 2628169.145 826986.5466 9144715.113 9727393.529 9688611.243 1428408.842 639168.1522 1054332.551 2186870.68 5434971.014 459225.0467 540014.2107 1346786.377 1802536.8 Cysteine-S-sulfate 327003.7228 338380.7197 333931.8062 311635.36 434422.9885 440255.6316 431154.0667 442513.9626 409286.5818 403120.2994 428383.9513 446313.1042 381313.7015 373770.484 Cysteinyl-Cysteine 38696086.92 38548284.27 29353356.72 55358630.72 1658353.597 1620506.314 595497.6849 1455054.439 1307785.889 1462748.467 1592252.127 1898830.471 1182392.567 574772.3232 Cysteinyl-Glutamine 1939854.112 991443.6656 3236403.42 1738411.552 2030706.867 1360485.775 2188642.038 1171397.887 2469476.002 1199172.806 1756055.805 496572.7468 309100.2583 498011.482 Cytidine-5'-diphosphocholine 1582724.85 1777423.729 1613777.924 1578372.539 1877095.639 1966755.61 1918416.203 1912686.858 1943781.588 1349893.667 1992430.091 1821073.602 1893079.258 1935496.843 Cytosine 6256647.572 6146908.387 6446337.907 6364230.847 9181906.096 7007327.375 9097082.466 7579221.829 8843546.064 8585896.921 7577155.837 7643700.407 7698636.525 8474047.403 Cytosine-5-carboxylic acid 154274.847 291147.0712 150740.5167 315458.0539 479879.894 292263.3149 655568.5624 283562.4871 385268.127 144959.4211 125728.2368 213710.7544 172169.3448 207933.216 D-(-)-Glutamine 1289860967 897854473.1 1512721298 1243795266 1416187841 1396803269 1099664654 1143654346 1332506826 1062636477 1821977283 2052585879 944208108 896083915.9 D-(+)-GALACTOSAMINE 25080617.61 17975865.14 37325601.6 38776202.17 33590495.47 24095621.68 49811637.95 39252340.67 39443457.83 29967145.23 33170703.99 37553609.8 10491915.51 10592138.2 D-(+)-Glucose 189665526.3 86092351.83 386618051.3 266749126.2 655885080.7 475899591.6 148494734.6 116179020.9 714673600.2 954683644.3 196342370.7 438154512.1 120538036.5 199300891 D-(+)-Malic acid 4968359315 2220512388 1999373384 3823401272 7844296798 6375511875 4841063517 6217208466 7795770355 7314601839 6810710628 7178517474 5305618881 5368480745 D-(+)-Mannose 625882.2318 294661.9015 689237.9167 426783.8559 568261.1623 619311.3826 954939.0969 131166.7202 1356415.963 133505.9948 123914.0885 992304.2416 1025440.461 630095.9157 D-(+)-Tryptophan 1603381.02 1741787.367 1644287.497 1631449.31 1899198.746 2022448.01 1938308.697 1954537.517 1969149.915 1775270.693 2556035.677 1918003.764 2388411.299 2010503.679 D-1-Amino-2-pyrrolidinecarboxylic acid 3083537.833 6260817.487 6163008.752 5331786.037 6682371.579 4380327.723 4054033.549 8404276.99 3269456.537 2698212.856 2246254.609 5147600.991 987023.3349 3506891.558 D-4'-Phosphopantothenate 342979.25 351098.468 348074.9933 366640.6143 386224.1509 385908.0212 373891.7333 388091.2415 369222.429 394792.2747 381836.8114 374468.5769 374797.5033 384767.516 Daidzein 4'-sulfate 291073.9649 65505.8591 156549.8937 80700.71156 311192.2076 167847.2578 172552.3246 115268.0527 112432.5426 90646.35081 224336.598 299453.1721 72966.67775 65142.69597 Dambonitol 233497.4198 163285.4093 707913.21 144404.7772 284411.3128 360504.2195 371524.3907 525641.4289 277059.531 335718.1259 340402.7185 328953.2075 184936.5428 131105.1419 dCDP 262536.2257 394421.3528 361516.2318 319840.8857 309278.0861 259109.9556 274846.9586 235164.6313 289870.7757 265695.9885 358686.3194 382125.705 243037.8145 252128.5274 D-Chicoric acid 1973197.586 3396926.409 761951.3743 1669207.641 9006998.994 12063840.02 2858205.558 4501942.393 7774053.454 6466588.414 5526162.785 5232578.514 4290798.461 3782235.37 Deca-2,6-dienedioyl-CoA 74125.36859 70722.21258 70268.1198 75380.01564 116501.5831 99539.95506 104805.4443 108040.6683 97459.79461 106986.2881 1624250.488 588380.146 94414.44735 89862.03714 Decanoic acid 6386471.668 4659896.384 4537702.98 4180021.592 6921908.009 4900142.346 5138673.233 3926713.244 3877274.675 5220798.634 5702737.016 4322096.587 4354248.381 4825963.161 Decanoylcholine 782630.781 196322.9815 703036.1401 597796.3638 892597.5158 866952.8613 813881.0574 908552.2461 242017.0803 919130.5813 236562.3974 943363.6003 166661.4013 211417.594 Dehydroacetic acid 428419031.7 200543430.7 644540843.5 578949286 889018770.8 360352377.5 813070667.2 383514252.1 673643879.8 436795209.5 206614597.9 370788043.2 193463065.3 352066656.7 Dehydroascorbic acid 522076.1274 360940.8452 676838.5814 546940.6459 470581.1869 367924.274 382338.0602 345938.2559 425829.2633 386784.1664 556524.0018 608439.8131 415876.5093 423684.505 Dehydrospermidine 307863.1883 318497.9918 372679.5611 369339.9111 458718.9715 399334.802 370596.5765 431268.4836 485526.9801 465668.8536 478869.518 476060.0261 397980.7767 459156.9095 Dehydrowarfarin 337455.5837 153571.0903 231286.372 237636.49 278916.6949 301929.5145 297561.8803 194249.4994 199584.6587 208366.6819 306133.1962 339286.7121 154231.8679 175834.2181 Delgocitinib 1980867.468 1079212.976 989039.2464 1196548.235 1691445.89 1243348.179 1299553.224 637406.1898 1085464.817 936630.7667 1279278.289 1327557.024 988336.386 763831.3685 Demethylalangiside 188230.5505 128681.4518 522259.3302 474331.3253 500713.6857 1017448.384 699475.4715 370072.3471 351782.4266 345862.541 1728156.554 550184.1286 658364.2605 563397.1793 Deoxyartemsinin 1226110.746 1007040.469 2096640.205 1404760.358 1928421.037 1773149.821 1642999.696 1701872.929 1641125.527 2181206.029 1279740.18 2535041.898 2446722.373 2318439.74 Deoxycholylthreonine 5681958.839 1628967.193 1744819.706 3260931.1 2137225.273 2769559.643 2441608.728 4042491.243 2358253.58 4134816.553 2989123.731 580412.7629 4604599.963 5375639.362 Deoxycytidine 4200014.955 2920511.913 4395203.701 4201125.457 8692298.515 7145158.343 10953192.01 6900637.98 7311162.425 5453393.733 8659116.935 8632756.558 3757227.559 4619332.899 deoxylimonate 1817351.141 847769.5382 1269639.526 1921936.751 2326441.588 2295649.354 1997567.848 1307139.496 2802610.413 1559103.934 3252151.127 2204898.189 2044983.332 1799988.587 deoxylimononicacidD-ring-lactone 656939.2115 355354.5181 248864.9454 531917.2232 1825704.234 657815.2949 886704.8216 530251.6438 760187.5721 113012.11 1628988.975 1050090.567 523858.556 469071.7617 Deoxyloganin 432786.681 324052.6014 927021.407 722011.1096 1375521.715 812687.7407 1281379.141 656816.4344 1272361.019 665364.2498 971719.3566 1358741.73 483960.0055 295540.5564 Deoxynivalenol 399484.2345 183165.2842 305620.697 214815.2893 374027.4916 486989.7102 818929.6887 370465.7103 412354.123 332204.8198 362501.2594 489448.2505 345358.26 264797.1142 Deoxyribose 5-phosphate 730383.1903 487691.353 4653878.502 3149857.386 5181509.099 2133106.049 1670886.92 777420.3979 6001823.855 6858051.055 1782471.976 3137154.759 734592.0242 2779586.465 Deoxyuridine triphosphate 1152392.016 1166386.174 1099557.191 1121622.796 1274477.002 1350419.513 1298964.535 1308008.295 1314831.559 1285542.174 1309257.008 1293389.762 1288948.494 1342444.1 D-Erythritol4-phosphate 8780872.627 4487735.423 2514369.597 1947201.311 775783.9933 1525209.372 3126623.395 4258685.129 2548311.797 2673426.803 3833548.453 2778901.484 3010084.405 2340876.256 D-Erythrose 31726989.06 19307048.18 51602779.13 40621057.26 29370607.71 19699968.64 29808321.31 19703913.63 28700356.41 20688427.17 16371577.8 28886908.8 15632971.03 19108893.78 D-Erythrose 4-phosphate 46166213.08 21526332.45 12757492.71 21890959.67 50456515.1 47209084.14 47861409.61 63151178.72 59877161.29 60651006.72 57417507.41 51551276.03 59684947.1 70270173.1 D-erythro-Sphingosine1-phosphate 154219.8476 129576.2478 388307.6867 330394.4488 138002.4245 140741.046 123837.0523 130408.9996 145347.2413 143723.7831 149294.5912 141064.487 128490.6515 123716.2951 D-Fructose 1-phosphate 343362631.6 327840943.3 1107820527 994804914.9 1366410815 678252907.9 794169404.4 663835451.9 1528698995 1051028622 338895901.3 282649352.9 663839639.1 607849519 D-fructose 6-phosphate 1147184.235 2453203.626 532867.0878 1881777.987 601909.8321 563765.2758 604052.816 583250.639 581576.8779 596484.7201 573880.9121 546762.9268 530222.7483 532502.7006 DG 10:0_11:0 189221.9787 63252.83094 304992.4707 345969.7099 699430.5326 598802.0311 247068.6216 411493.1527 574844.2292 366317.1035 848625.3932 701658.1475 408934.4806 273380.3112 DG 11:0_11:0 142623.5122 39138.05794 128568.2378 290159.0158 438979.3405 313446.038 207352.8838 171565.6594 353096.3383 165862.6263 526790.1805 423195.2247 276912.9039 228349.5638 DG 14:0_14:1 1151187.833 1471727.594 725388.8098 809431.8341 1088953.83 680865.2086 1202430.511 872089.5541 1824189.083 652917.8572 1093843.73 948638.5801 1596482.232 2683327.998 DG 40:6_40:6 388237.4369 309339.5367 488374.9991 429978.9263 1846666.043 2114375.255 342537.5401 876591.9206 3485817.021 2836449.304 2558451.926 2081069.782 2626981.562 2566091.072 DG(14:0/22:1(13Z)/0:0) 19594831.72 16857362.55 30315748.16 55202836.05 38241132.42 126306089 36252117.18 32044486.72 65937934.29 34005707.01 77756314.97 54143354.84 27049012.7 39881404.06 DG(18:0/0:0/18:1n7) 27408718.11 17829077.4 7644250.336 10805686.17 36157484.12 29338007.26 10392833.35 10909629.32 17534842.68 20603728.36 11820484.64 15366959.91 8962040.194 13549714.4 DG(18:0/0:0/20:4n3) 73128.20196 67169.82289 66815.27838 74365.97095 110353.0295 93519.71438 103395.5559 106587.2583 94712.9911 105547.0621 126257.919 91974.55161 91877.93891 88653.17401 DG(18:0/0:0/TXB2) 17452.76264 16089.24792 16095.25966 16119.86294 144643.3001 25059.1638 94785.85469 99254.91845 70619.02308 147204.1935 132287.4656 183194.2468 349712.8328 35750.29865 DG(18:1(12Z)-2OH(9,10)/0:0/22:0) 29851.09681 19187.00442 65082.22151 20382.83849 31697.00187 31588.50733 27655.44506 31198.30451 28946.21561 30995.15243 30584.49112 29359.08061 23876.95547 23133.35675 DG(18:1(12Z)-2OH(9,10)/i-22:0/0:0) 19068.04283 17425.35497 18763.24312 19405.49849 30724.14992 26809.05029 26258.6194 29487.68372 24189.97487 26227.28426 26517.0181 24351.90162 25412.93485 24137.25808 DG(18:1(9Z)-O(12,13)/i-18:0/0:0) 365419.3477 299321.2956 344121.3442 326431.6889 390566.0284 283919.577 337040.7312 348063.6942 284285.2822 359624.4164 222869.164 354376.6434 231300.6712 264084.4809 DG(18:1n9/0:0/22:2n6) 120875.9271 97302.55125 141469.4538 118130.7878 116148.5147 111782.6465 95906.55461 103827.3602 111460.7914 117009.9647 123022.2935 125762.9011 88916.29925 91672.7658 DG(20:0/0:0/18:2n6) 21792.06064 20670.62586 20112.49694 22161.29024 36469.08896 32926.95906 31390.67151 33124.96336 28730.93761 30695.51516 30078.11279 27248.19197 27503.09613 27236.76123 DG(20:3(6,8,11)-OH(5)/0:0/8:0) 561382.0674 481997.3966 575887.0981 572612.6513 1144256.907 1382559.29 1911440.261 1264192.824 917732.3348 1087195.703 1038855.154 931357.6183 763956.6449 911999.3287 DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0/i-13:0) 108713425.4 95833204.58 514376104.1 308389015.7 50117213.68 41126315.11 45403069.65 36617701.79 38290617.84 36085729.12 27579283.99 25637732 29252537.33 24480349.16 DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/i-13:0/0:0) 13602.56906 12902.57128 12926.56456 13833.04158 22763.94644 18642.45035 19594.00647 20959.14498 17517.76361 19160.091 18774.70944 17261.54129 17167.3882 17001.14238 DG(5-iso PGF2VI/13:0/0:0) 154104928.8 132044459.5 668392958.5 400959605.2 68796384.25 56820106.8 59562745.57 49414421.01 56460069.47 49446180.91 36309511.79 32823697.92 40806676 36860447.35 DG(5-iso PGF2VI/a-13:0/0:0) 25792880.26 31127887.18 20235329.19 8882758.133 2049770.442 2012689.825 2016092.832 2143103.413 2265440.581 2110701.257 1638775.288 2216230.329 1569394.417 1724435.849 DG(8:0/0:0/18:3(9,11,15)-OH(13)) 171433.561 51104.48509 441917.3886 179330.4336 565046.1586 718109.361 132148.8798 59689.89103 1089991.281 71439.02054 544514.1401 550842.9459 54244.32046 58207.26687 DGCC 42:10_42:11 1529241.073 2531917.838 1489155.079 1538502.443 3822815.274 5366192.495 6092982.256 3961806.686 2912200.119 3022160.683 2897510.996 4140644.158 3601450.539 2451495.416 DGCC 42:9_42:9 3888052.213 2354605.127 2491837.466 2835649.307 3019619.824 3236525.754 3934909.637 3092052.969 2607503.801 2126761.792 2069998.345 727788.5792 7658599.82 2072497.28 DGDG 23:1 16185685.9 754378.8199 4296865.059 4232340.746 10704653.63 4545392.555 15047965.54 5557942.61 6924611.402 7788713.106 14397965.23 5316474.862 7483745.364 9146929.159 DGDG 30:1 1105508.775 818054.9404 1393462.727 2948179.664 2318818.892 1316087.878 1612485.27 773571.7191 3111853.631 1868599.971 2431518.21 1805496.229 1104496.336 1484238.606 D-Gluconate 422052.9937 381184.8353 448324.7055 430713.4944 377120.8536 390911.3479 449155.9334 413316.5188 417400.6208 366166.7347 401977.306 390359.4377 371825.4218 383297.7314 D-Glucopyranose 845428102.2 580961355.4 647265274 642966731.6 882241927.1 865120270.9 1024460394 1020525682 1185090221 935023683.5 1637106421 1756231471 655452344.1 558586489.3 D-Glucosamine 6-phosphate 9701045.944 4980420.983 6870330.196 6070530.662 10140903.97 14710078.35 4996967.105 6935356.983 8386124.06 7445797.902 6698071.708 4584663.675 11118885.93 9495652.456 D-Glucosaminic acid 2082174.251 1466218.494 585581.5302 2003812.403 12446913.71 7991880.509 9731222.96 5142724.816 9595407.365 6049518.331 3360105.448 2518598.212 557029.1032 642653.5564 DGTS 18:0_19:0 271600.8336 609800.3636 181486.6638 1303256.516 906962.492 5227948.251 1067698.206 1671216.436 725399.7132 1230281.582 734808.7427 265179.6759 1311933.166 1008282.157 Diadenosine triphosphate 30295526.36 30008583.82 30350624.82 31486134.46 31186112.55 35060529.04 17150016.52 26483828.26 28480829.08 23253896.9 39326999.9 41176965.63 26261847 22660222.73 Dialuric acid 60139.31845 114307.5338 140725.4484 144690.7359 129975.9772 155330.5307 62568.77939 80776.07445 52097.91218 155968.4458 162015.7374 58145.74202 180235.4926 163046.8139 Diaminoguanidine 70670.51174 67649.04516 66916.48731 65059.69601 100487.4136 87122.39203 99993.09139 77297.13978 99184.50981 162503.4601 88011.57958 98824.92813 84668.24422 84658.27855 Dibromochloromethane 333882.7663 271692.5271 368845.5272 325434.8617 998977.5005 1714636.982 931001.1 1392598.368 279429.4286 621671.8197 330625.6953 382153.0143 290659.4257 222417.6406 Dibromodichloromethane 266408.0904 216785.9339 294305.1947 259667.4306 826631.5416 1637317.328 899439.1791 992050.3141 285205.246 336406.2211 263809.2439 289854.8916 467614.6646 177469.0547 Dibutyl sulfosuccinate 860376.7153 623949.4421 986407.5057 3893997.561 7718861.247 4056524.457 5764216.767 4270547.849 5207121.042 6249927.488 12513977.06 11450761.34 2151125.549 1011437.777 DIBUTYLIODOMETHYLSILANE 1405229.581 1045877.987 1782703.989 270204.9308 308849.299 181736.4124 921792.7577 235672.4274 1148219.344 1181040.971 1763270.217 1886143.572 226577.723 1040097.334 Dibutyryl cyclic 3',5'-cytidine monophosphate 4464482.183 9904916.453 9468058.065 11549713.86 18925798.71 19358072.3 15343340.19 10061632.31 15732688.67 7189388.633 12943091.18 13335817.33 13887310.86 11361845.43 Dichloroacetonitrile 20287.98257 16934.51175 14832.38583 17518.58954 14280.69731 13804.65348 13915.14789 13493.06683 13066.53098 13533.33612 13925.91871 13908.33642 13661.04391 13242.59163 Dichloroethene 35597980.07 25628769.34 35190373.58 44057914.82 27348625.57 23163607.52 31860361.5 20171125.93 19572615.98 24599488.87 25664602.69 18032799.28 30694137.32 21103792.48 Dichloroisocyanuric acid 66367.06932 59384.16927 83980.76341 77254.61332 69668.81385 74953.46771 59341.71308 65456.54764 70990.05013 68900.6514 77812.76014 80577.4302 57068.79079 55867.92602 Dichloroketene 178220.3791 234385.5442 375822.7015 205691.0582 158448.8889 524795.6061 280971.5677 185967.4926 279959.991 148555.3613 856100.3182 757756.1461 248833.0857 241690.4131 Dichlorotriazine 191166.851 166120.0994 269384.6954 206048.8997 172184.6536 140212.4555 196675.8522 172479.1942 215045.5163 172887.4633 212681.0664 224118.0542 140227.5873 157694.0572 Dicloralurea 2614722.765 7641909.018 2288125.613 3099407.74 3235477.563 4398562.689 4415135.586 3145877.015 4758627.924 3342398.828 3753195.276 833530.2183 8211141.058 4014245.697 Dictazole B 1159293.672 1339083.602 1242430.883 1210462.966 1414174.88 1481723.319 1445305.156 1385519.799 1440940.089 991012.9916 1501066.076 1279033.45 993503.9548 1265575.148 Dictazoline A 934693.2532 3149759.193 2332558.026 1940580.497 8086007.832 10674363.71 8463559.927 12210583.6 13301706.06 5670017.614 4936974.682 9820686.145 7623687.911 18486959.62 Dideoxycytidine 5'-Triphosphate 13876.60722 11307.97137 10799.96618 10511.31602 8532.543345 8996.830156 8784.405752 9100.076029 8537.193708 8947.808152 8798.941675 8817.551193 9828.492885 9814.411808 dIDP 77893.38791 148052.9095 63802.07212 187405.709 496881.1169 288122.2031 26750.01254 104622.4377 67478.03246 71091.49423 114538.0312 120100.3062 233443.835 81508.46959 Diethyl succinate 35923672.84 49350710.25 64170000.28 53900714.96 65655029.48 69336502.22 56770121.6 92861262.08 86056189.11 81766760.14 74045905.1 72313320.34 49892718.23 56549338.09 Difloxacin 853432.0303 527504.1539 1062595.306 793165.3817 154316.3326 345646.6756 1015790.422 766266.6564 435138.6046 844708.6715 320391.8534 1300558.622 533772.9377 145150.4875 Difluoromethyl (2R)-2,5-diaminopentanoate 1732922.928 929827.8342 1223864.234 1173514.42 2869461.418 1939485.67 1850937.866 1468854.595 1448579.598 1537576.688 1411265.961 1435431.507 1266609.672 1270713.991 Diguanosine diphosphate 786859.3926 1008361.235 580201.3129 806793.8942 5260314.586 7771975.451 5571185.229 8763323.166 8939181.538 3918324.938 3899705.397 6744422.489 5455951.265 14342046.02 Dihydrocaffeic acid 3-sulfate 1183825.605 1279639.092 1141084.42 1012233.621 1243116.42 792475.4058 1214410.606 1470534.424 1475884.931 1407298.203 1114935.415 1359772.898 918654.3269 1117824.23 Dihydroisoferulic acid 3-glucuronide 104035049 118990816.2 140830552.1 155724728.4 137238255.8 143165543.4 169453915.1 196794152 183443473.9 171261714.3 178524066.7 186104588.9 182562851.2 192579772.8 Dihydroneopterin triphosphate 219251.1342 1949310.495 545804.3754 1979223.954 3569002.613 4416846.576 3654542.635 3015482.598 2052098.768 1132652.837 1652808.147 4182775.716 4253732.016 5399165.411 Dihydropteridine 51988.16009 50040.71224 50284.91138 55265.46882 88146.116 80714.55844 73288.24657 81079.87686 70428.76139 72780.66538 71462.76981 66432.17515 65447.78297 64694.67463 Dihydrothymine 95600.39828 71118.82345 97866.1942 68294.71908 206509.8799 260455.1755 201470.5967 186308.5597 223598.6795 284091.241 264042.2207 271171.6435 219718.2975 265421.2995 Dihydrouracil 1520068.746 1726393.828 3416716.214 3504470.64 3820133.364 3560752.575 2651523.35 1471517.778 3737142.901 2778454.94 3121951.827 2924125.263 1515675.038 461717.1334 Dihydroxyacetone 24026753.5 14089787.11 23960331.9 21565583.05 71574729.92 49272509.17 54055173.55 42681638.02 57413474.64 53970309.16 38192094.9 46486192.6 31456390 44902858.38 Dihydroxyphenylacetic acid sulfate 51069.49351 46936.80243 47803.42079 52046.37219 84733.92902 74732.55079 71349.37391 76218.96422 65209.06624 70645.61161 71199.67799 66168.25579 68452.08628 65015.93313 diiodo-4-hydroxyphenylpyruvate 42642.63197 38656.49919 39588.80084 40111.82426 64678.03865 60179.73448 52991.93568 59436.35329 55145.86528 59049.32525 62072.51505 56981.66219 47071.62705 49314.79056 DIISOBUTYL DISULFIDE 97920.4247 328854.3586 157338.6635 117196.6514 964097.4852 645727.7805 434087.4964 119061.9188 1313898.009 674725.7252 129208.5549 1452395.671 765587.784 737116.3229 Dimethyl 2-oxoglutarate 171276.9449 169232.8489 219107.5894 250628.8946 389364.299 326845.8019 324319.6834 220664.5354 245554.3578 191474.2646 279335.3265 238278.3707 233490.3709 251265.8418 Dimethyl phosphate 13081424.95 5388421.255 12624045.61 12121298.77 28397045.12 27278949.82 36500967.17 25111666.57 30763008.99 38814966.73 27553387.41 16498017.32 15516599.97 16487101.69 Dimethyl sulfone 2431092.512 3195244.22 1995818.713 2226339.507 1306433.977 1250239.399 1046021.965 1288695.344 1345499.352 1765798.722 1485056.412 1023081.979 1759005.589 1321102.766 Dimethyl tetrasulfide 2613558.734 2697342.358 2183569.895 3529154.342 3660679.658 2683106.84 2996031.964 3581167.628 3864803.788 1879740.494 4291381.539 5670760.601 3449629.19 4815715.656 Dimethylallylpyrophosphate 427369.7632 424570.9167 325680.9631 340535.6724 36529.95267 36670.66566 31597.24272 36217.68454 32929.09339 34159.6246 36952.50598 34588.88775 27680.34407 26514.05059 Dimethylarsinic acid 1288804.357 295582.3974 212351.866 194415.7777 145360502.6 196138216.9 52524107.83 145655612.8 228671955.2 163961026.5 194842776.9 123134568 72194796.59 126323231 Dimethylarsinous acid 188589.2626 159766.61 243507.0636 221201.4084 8186305.958 6834749.084 1470510.006 9367094.663 11286929.44 10119629.54 8841413.287 8431421.371 8166119.238 12820102.85 Dimethyldithiocarbamic acid 3244517.795 4558994.13 5573117.337 3376961.263 543728.3463 465050.4835 428867.5263 426403.8407 502191.2277 462137.9423 624807.5291 683926.8138 499417.3781 554181.3215 dimethyl-hexadecanoic acid 1928735.216 250817.2276 657743.4616 292838.9932 718938.3268 247011.2165 155766.0301 647864.906 612947.549 625094.9378 147034.1475 230792.4498 138208.5148 139842.9019 Dimethylphosphate 280454104.5 151730400.1 453068438.4 293470003.5 321644699.4 315201135.8 283502675.9 215474545 283904500.7 241385127.5 154338687.6 114917418.2 126744916.6 237140220.3 Dimethylthiophosphate 299708.9512 297633.8792 365185.4166 367090.5305 448135.435 414807.9581 382523.9313 403017.0206 453721.1606 435163.8969 447499.8145 432897.2305 378823.4293 429078.5362 Dimetridazole 1392094.843 1193549.518 1235386.542 1331734.717 1842899.299 1298231.446 1622383.145 1451239.5 1873107.306 1841590.789 1281795.216 1664290.677 1552077.816 1647512.01 Dimexano 29685.37042 261821.5611 32441.14013 92115.4424 37537.3837 31593.03736 33548.83186 31565.84293 30743.02604 25056.63653 33004.79322 36246.40554 47001.58176 64181.2176 Diminazene 693835.0122 516452.0907 1038039.446 705086.0767 328451.8659 300013.9862 800609.537 776830.8574 546517.8446 351817.4358 1668053.804 1372420.227 317192.2528 390099.5847 dIMP 13669106.97 5740492.855 12683174.71 14506304.31 2780872.215 1099555.101 3332143.256 1192868.333 1143421.422 1264009.474 2802216.459 4809234.801 939267.0701 1154098.198 Diphenylsulfoxide 16338474.01 8824219.091 31415943.01 14636581.68 62120198.91 37081623.27 23037216.5 11941928.56 57992053.19 81078149.71 15998390.34 36259041.55 12470836.42 16156044.47 Diphosphorus 32045.89361 31626.32908 31326.29827 32788.0521 50038.66701 42489.70336 45145.0834 44480.8216 43168.67152 43130.01688 46795.07951 47150.50381 40783.11076 38203.36314 Di-tert-dodecyl disulfide 642707.189 141400.5211 714879.2393 861351.6355 1283316.564 1129383.648 938015.4298 641239.9077 1171599.905 769878.5005 1439898.454 1266350.527 705516.4216 610525.2982 Dithiophosphoric acid 310994.3614 1105665.663 321298.4529 1066597.727 368917.4552 1361653.111 389959.6333 373828.8698 388781.8892 738755.7155 396876.4709 370172.6419 819097.7582 424426.1875 DL-2-Amino-3-phosphonopropionic acid 1846424.262 1824492.527 513021.9247 513696.6579 892511.597 708844.0431 150552.3646 309539.7647 218893.7936 144948.7662 546952.3672 306852.8827 322130.3027 343273.1115 DLCL 16:3_16:3 3083665.006 5457911.268 2753174.796 2999027.271 1801527.642 3887553.653 3458653.785 8110203.016 3588899.395 2763411.577 834572.9358 6967928.395 2078573.956 3459023.587 DL-Methionine sulfone 6334876.146 4446525.615 2313171.456 2193316.042 1367789.11 1052213.93 837928.0563 2504610.617 1798115.922 867064.7505 2741815.564 5247660.055 2662063.146 3162808.617 D-myo-inositol (1,2,3,5,6) pentakisphosphate 17719.59392 16924.78751 17075.01432 18541.78009 28503.0348 24757.57048 24935.60105 27553.34497 23359.826 22878.78227 24828.38479 23156.72855 21422.67321 22468.24411 Docosahexaenoicacid 1858022.481 1553808.151 1728166.14 1588707.675 1951079.827 1243795.635 1906025.851 2308013.957 2316411.616 2208764.271 1749898.852 2134172.976 1441834.325 1754432.866 Docosanoic acid 1212385.967 710733.2538 1198241.243 2617018.496 1517115.103 2243447.676 765233.3081 692853.1659 1374471.273 3467954.535 2058578.448 10054807.08 1714580.422 986908.1592 Docosanoicacid 3345904.988 4642630.873 3906049.346 6607341.727 8176706.251 7836881.472 4831164.162 4460221.873 8094799.382 4349723.745 12036456.38 10906798.42 5359860.35 4381553.321 Dopaxanthin 17046515.53 13319549.79 14420676.46 21693038.49 3363613.465 3706442.12 3612247.213 2652335.952 1874028.142 1597394.055 1940250.747 2028159.978 1713232.121 1112816.763 D-Panose 20595627.22 7865300.327 26658140.07 19422910.07 29258600.5 17272705.71 18754914.8 12551097.99 34582408.34 26433298.64 11174606.45 7873209.562 26961414.39 47461650.29 D-Proline 29064225.58 20678532.55 33539993.92 23700813.02 43817814.33 33448370.8 40086578.18 23685847.98 38333632.04 38826747.76 23356529.95 35350325.48 18443222.54 22733600.18 D-Ribofuranose 1572344.74 377325.9989 427421.296 458042.246 430756.0499 391378.9754 517358.3128 309158.259 375992.4704 434972.8203 331564.7379 628801.327 614586.4659 1165081.063 D-Ribose 125044041.3 88819477.11 90094244.46 101664515.6 302681589 390047122.9 365140610.4 426657862.7 391216270.7 389198761.8 263928342.2 405307953.9 445572529.3 501828603.3 D-ribose 5-phosphate 287548474.5 150740594.1 237848130.9 150195307.9 165423295.1 163400364 132771574.1 180070832.2 134997702.4 136212468.8 201847565.9 204808320.5 134656192 166467804.4 D-Ribulose 1726197.07 824328.7752 6209187.751 1703390.867 22710486.68 13191315.1 1935195.418 910025.7858 19239300.78 31313840.59 2177472.048 7982885.335 846470.1356 1726455.853 D-Ribulose 5-phosphate 314308014.1 165761333.1 255973164.3 187030949.1 259754111.4 248118461.4 189763229.3 223583476.3 214971974.4 198414454.9 223086945.7 232771269.8 178773484.7 198528537.7 D-ribulose-1,5-bisphosphate 7614706.556 14521786.81 8694146.971 9167512.848 4809972.879 7375868.29 5366327.753 9190935.771 6775586.493 6628048.227 6943653.645 616437.538 11895190.21 10438458.24 Drospirenone 487108.9643 380515.0895 685640.5533 429240.8564 489764.4686 363273.2243 625281.7304 321400.9649 357653.3375 278884.9295 667229.557 288436.8384 463732.0273 323791.9698 DrugBank-DB02689-CoA; (Acyl-CoA); [M+H]+; 1540836.529 1006460.631 793120.1568 863074.8894 2295317.944 1456355.927 78793.04091 518642.0386 1876630.003 1769164.539 2255338.078 949145.3628 1237583.784 1330621.272 D-Sedoheptulose 7-phosphate 20422112.4 16212940.55 11027473.34 7390521.954 17663060.29 25318342.14 20803356.85 29373650.31 24521062.73 21731836.59 27644579.48 31384016.18 25499120.12 26589952.25 D-sedoheptulose-1,7-bisphosphate 992441.1178 636032.3306 691332.2822 375812.9527 662239.1959 2152147.143 1590013.777 943426.3055 4071173.9 676353.7164 4119326.917 568356.1108 6842908.022 5217568.491 D-threo-isocitrate 2834133.47 3016584.76 3028862.579 3204342.867 4035462.779 2982551.069 3301346.332 2816579.275 3963512.197 2692273.017 3664473.348 3084988.368 3462692.635 3882253.485 dUDP 24203882.09 13912977.46 37283176.8 29242388.61 35517239.11 25813870.55 20675622.81 14828772.26 23866593.44 27277645 24417618.47 25230902.28 13269525.7 15559604.03 D-Xylulose 5-phosphate 128113145.7 78337915.91 86471694.13 69901393.66 99959343.25 103603659.6 68523251.74 112077102.1 79925118.79 81203400.64 120285728 119385189.9 101303103 112612865.6 Ecgonine 1264531.499 1420087.826 1317588.364 1306108.226 1499721.547 1595035.23 1532734.964 1544941.621 1553000.855 1474546.867 1591868.991 1476525.634 1522429.317 1585615.147 Ectoine 277243.3174 270904.4254 299468.1547 334345.9985 1239904.204 534082.3169 585561.3297 568987.1532 608202.7424 753131.264 884639.0611 662986.3733 726942.3574 692498.0532 Elenaic acid 509015.4251 508458.9605 1063125.104 707390.6518 3738919.19 9664909.343 10388923.05 8687378.42 13699967.51 11979424.3 11628324.5 7071407.547 21554130.98 22308964.36 Ellagic acid 276107.5618 166728.6783 215865.4128 246920.2913 383602.8016 322009.4025 319520.6635 295098.6814 282031.3089 283646.7249 275201.9487 234752.5204 230035.3695 247547.8135 Endothal 96333.33861 29765.16527 441420.3767 84882.4942 351925.0278 218769.9478 341278.3161 169646.8623 306979.9572 235060.9869 120265.2823 177833.9283 82389.47626 227738.9808 Enolaldehyde 18452884.71 14832124.93 43107631.95 34131456.66 57171458.12 43853306.27 34262278.59 21845528.84 93675473.79 125411952.2 23028204.62 51012403.22 18442660.03 27373175.71 Epigoitrin 11164579.69 8615896.049 7586775.538 6290877.998 11878681.37 8085541.072 10453530.33 8258473.541 9253339.846 9489515.718 11331457.96 13676701.83 7146543.884 7041453.895 Epinephrine sulfate 1947189.043 2418270.675 796246.7922 966203.0028 5140380.616 6517091.768 1435840.836 2582990.153 3155734.588 1599036.53 2878406.003 4230621.76 3098437.102 1871755.256 Eplerenone 2955073.323 2756938.286 2547723.879 2438942.845 4081058.976 6740104.079 4641751.115 3528963.935 6011187.606 2873416.251 4756226.679 4025212.14 5206935.559 4175585.539 epsilon-(Carboxymethyl)lysine 31256914.62 17899950.89 30909802.58 26095502.18 11945214.62 7508450.652 35283238.71 24713476.25 21345352.82 20198009.14 40278722.53 43151896.82 17643376.28 27412874.54 Erdosteine 36821.1377 32163.04445 232992.0697 134051.2779 47866.31526 38260.66303 31303.38287 29705.80754 37887.96347 31328.51547 46253.57249 36927.28023 64491.23402 79460.17243 Erythrityl Tetranitrate 13924761.5 10750760.86 18946564.09 13637742.12 16243678.6 11310302.73 17701644.56 10471579.68 17124727.83 16217300.58 17474582.58 22004778.08 7852948.978 11502603.53 erythro-6,8-Hentriacontanediol 1576843.315 3423689.1 1834080.91 2148601.417 934116.6165 1290215.605 1061741.15 1973348.444 1695950.813 1440960.611 266411.0063 898923.8773 2669581.853 2133749.095 Erythronic acid 942244904.8 855691384.4 1095845093 584043662.1 678914905.8 597257625.2 754285014.2 726647747.5 750866492 692810508.8 386938626.1 363508785.1 592190042.2 294870471.9 Estradiol valerate 2589093.668 1275705.923 2622845.226 2104109.916 2345563.275 1411634.096 2121092.295 1346997.747 1847708.785 1334606.351 1994299.643 1454230.542 894945.6556 935316.5966 Estriol succinate 1271722.277 281220.1541 174372.3235 167908.4011 325412.0353 1415341.97 221850.3062 200670.2142 1435866.652 192882.7631 199475.4403 892993.5297 1728204.048 1546386.094 Estrone 242717.0511 457539.149 407365.9325 557843.4645 124185.6754 123272.964 383169.9318 373168.1513 113548.6814 270238.1225 638497.6058 760316.9751 330031.9524 240183.1688 estrone 3-sulfate 11718854.14 5851996.508 7384165.406 5984482.124 4383505.867 3644782.997 1966761.152 1820707.012 2159143.573 1362103.464 4228902.487 5388844.12 617224.4944 740002.5313 Ethiin 374481.37 375082.8477 469891.0712 485525.6716 588964.6572 501353.6438 464199.5633 503415.5953 571387.3285 570160.146 633535.6208 640855.343 526521.2943 607456.1999 Ethoxazolamide 422951.6824 338642.8432 355512.8768 337683.3044 474976.39 482002.8189 470144.2983 448535.8788 447805.0033 447775.4321 422617.567 496270.6946 389284.879 415608.0922 ETHYL 3-PYRIDYL KETONE 182794.5189 164229.4545 267681.5255 221402.9432 351101.625 381420.8609 335177.1866 322933.9427 505880.8158 284071.8586 494698.3237 285165.3275 457024.2704 166376.2462 Ethyl hydrogen sulfate 8525854.731 3139357.546 5049356.828 4272592.064 7355620.602 5916001.525 4668747.063 3226143.652 3313261.043 3347877.884 5673863.195 7098593.51 1384492.772 1606448.224 Ethyl lysine 90983.31852 85306.97678 207663.6165 212680.8242 1745882.846 377097.8027 244949.9727 599225.6309 1562719.5 176590.1925 1729617.804 2257850.542 70713.72121 637195.268 Ethyl myristate 220129011 102182144.8 193057003.4 307986164 389585936.6 278052517.5 142359616.8 139785048.5 436114268.6 154179930 432261384.2 410722056.7 304722829.5 170573433.1 Ethyl paraben 1375953727 889395971.9 1360010677 1361368951 2377346298 2019393491 2033065322 1680515990 1745114862 1539979006 1811101343 1622705790 1224463874 1334791605 Ethyl(R)-3-hydroxyhexanoate 2095533.473 2770736.247 4584687.026 2505177.743 5374398.438 6232060.374 4176163.955 1517785.222 3223554.452 3143903.831 6347836.444 6817585.793 2191939.377 2190008.025 Ethyl3-oxohexanoate 308085.4429 246931.0274 269327.4807 309034.0015 183480.8754 364778.9629 463943.7566 649943.5742 389392.6593 351287.9058 413279.3817 462039.2075 470973.9107 333681.5085 ETHYLENEGLYCOL MONOLAURATE 7137216.593 5749025.961 8827676.755 7814157.124 10761474.58 8609309.238 9139188.75 8673321.681 10430763.14 10898645.98 10154168.31 13716638.69 8123602.43 7797975.503 Ethynodiol Diacetate 1225286.154 775345.5607 1200347 543899.341 977735.3052 786176.2153 1148993.648 347487.5884 687706.2683 788315.3874 1021334.529 945080.9116 346939.9828 414946.4536 Etiprednol dicloacetate 2153693.794 1054071.674 526247.0841 2274978.691 2055441.808 2505272.117 2382736.009 1626627.198 4011526.638 3899807.036 1771659.737 2438917.562 6053255.66 4471281.84 Etofibrate 7980931.174 5959434.299 6958761.465 6547205.022 10963799.3 5921774.234 14713606.67 10079844.36 9132424.302 13619224.78 9097852.663 9718113.014 6511091.982 3407373.306 etofylline 17425140.69 12027103.75 16285534.69 13839110.32 8453204.553 6845747.733 17809403.33 14150973.03 11527099.74 12193687.96 16914888.6 15246626.99 8660183.265 10700259.52 FA 21:0 907725.0142 442291.8959 991073.1976 626233.4885 1787068.506 1229842.611 645503.2594 553551.8487 1372678.76 663277.916 1839756.741 1441423.52 834840.1701 641956.2592 FA 21:1 907725.0142 442291.8959 991073.1976 1212099.6 1466022.75 1229842.611 645503.2594 553551.8487 1372678.76 663277.916 1839756.741 1441423.52 834840.1701 641956.2592 FA 32:2 1337446.786 1693042.585 1639677.321 1497958.538 1386577.343 416265.3332 1320085.42 1835420.439 623597.0283 1723513.113 1107327.364 1609424.509 134498.8801 142395.1782 FA 9:0+1O 948851.1795 999853.688 794019.9311 1486665.738 2986190.664 845866.1443 1465782.153 1003448.438 1440883.125 1061258.146 1214916.127 1028080.005 750177.8172 701867.458 FAD 10491746.34 6479545.94 10835602.08 7803728.861 1147733.87 826699.2463 701274.1329 834351.3241 901433.4479 873005.7881 8551248.86 6709228.015 1003582.557 4798123.822 FAHFA 39:7 359560.2734 752356.7583 1612245.349 840570.4544 685824.0018 247048.6527 168664.0977 182322.5141 136645.5166 469867.0216 109235.3836 662444.3049 101613.5579 125742.6953 FAHFA 42:3 3261115.296 1469560.703 4488216.397 3138797.514 2902622.707 1529009.262 3326155.504 1866118.267 3063737.559 2095527.614 2973041.152 3258922.829 1026909.064 1753706.887 Farnesyl pyrophosphate 6843300.74 3081192.112 7871995.073 5368452.761 3799451.26 2402153.328 2680944.772 5387133.895 4092185.732 11934957.79 12727427.31 8867734.389 13168398.72 16201769.94 Febuxostat 48665342.1 26667389.48 33438572.64 29016525.91 24440038.72 20668738.27 772591.1933 4215840.961 11920910.19 8704557.494 8783403.678 6537535.737 4524472.952 3931059.895 fenamole 89376.45435 85555.22872 84830.7555 84343.14818 128361.9805 105804.6681 118947.4939 98641.54613 123756.0018 93762.27968 120041.3488 123896.5145 104619.1111 107066.6758 Fenoxaprop 17346857.16 34419307.63 21194267.21 34736796.99 99847828.17 114953060.6 47271488.2 64518853.36 94391982.67 88418118.3 89062952.41 92298335.43 86786178.14 72143851.14 Fenthion 967871.2339 679369.0822 1274007.743 716168.7629 2124170.804 385309.0834 450450.9774 448746.1716 509466.5508 518666.8784 1073707.664 4030009.212 655945.8076 927469.8705 flavanthrin 1286249.057 1390352.235 1239809.946 1099811.1 1350669.657 861039.6153 1319480.243 1597763.647 1603577.075 1529056.289 1211398.554 1477419.141 998135.4152 1214537.306 Fludioxonil-TP CGA 192155 4343885.24 2962997.547 3820346.828 2650507.683 5919630.842 6027393.287 5245014.154 3368936.888 10298923.54 4026099.464 4742498.635 7998854.359 3461260.455 3377628.865 Flumetsulam 3535735.726 2061729.876 1987503.222 1857734.594 5756155.366 3815381.132 1580953.85 2404280.485 4896514.341 4281595.084 8644376.16 3084922.74 4559017.46 3203699.971 Fluorescin 77408.68938 65457.1427 92155.5433 76205.37309 69280.04198 64043.60938 62648.58054 64353.32017 66993.71687 67580.10683 70162.73059 80023.00932 58033.36342 59746.10508 Fluoroacetic acid 1112001.29 1438086.367 1357474.898 1735112.945 3612772.96 2928726.937 1333121.303 2409014.538 4794656.033 3803675.365 4245809.397 4733452.308 3004278.141 1239628.612 Fluorouracil 282993.179 201102.7664 403468.7706 316874.7122 263180.2295 211748.3267 205645.1548 206391.779 243075.064 223688.1166 302424.8966 331040.3385 241732.4407 268239.7715 Flurochloridone 173777.653 142272.409 206883.4152 171076.2834 155521.6353 157011.2344 140642.1343 137564.2669 150396.6929 151713.1016 165689.3004 180515.5012 130281.2613 134126.2589 formate 12935366.86 31061156.76 150196836.5 128607224.3 16937532.93 8989783.143 41430149.67 6851202.14 1749970.885 3614886.618 3833202.029 1935026.09 3587328.99 672334.4859 Fosfomycin 31648705.41 17451899.71 12488712.6 23295471.17 36790471.82 25509143.81 117166166.9 101601543 113189997.6 117981784.7 158769902 216305428.4 22738375.16 87012812.7 FR167356 504653.7963 451170.6862 1920527.144 1944700.841 2985971.557 500870.4146 2243771.647 947796.5663 2837854.745 1381561.964 3956775.406 4614073.445 354772.0872 1151969.203 Fructose 1,6-bisphosphate 1965226.254 1372611.747 1868272.789 850100.1503 887486.4249 724754.9505 975167.786 783358.6313 621928.5394 855396.8767 754550.7751 916846.6189 624898.9568 713331.2556 FT-PFCA; C3H3F3O2 1921792.364 1582430.039 2422365.238 1792611.28 1331775.999 1829196.1 1040773.84 1344760.219 1534675.657 3248333.469 745613.3143 3138635.298 525784.5955 2580168.049 Fumagillin 363699.7499 145714.3848 247654.4617 495233.0055 825288.248 808252.4367 534715.8366 278017.469 739328.9698 427162.411 877919.0813 642828.7263 516625.4276 391397.7531 Fumaric acid 66964528.97 50626358.06 100055826.8 73238899.82 81430389.24 53891030.28 86153928.71 49887674.24 83454955.42 74753368.44 91005917.62 105654662 41595651 53187062.15 Fumaronitrile 1294340.645 1054333.188 759937.3305 909351.1562 772301.8938 329592.8287 810479.2933 962666.0676 613685.9131 1374188.985 876744.7447 1431270.893 582554.6489 307411.9499 furalazine 1107830.897 2146003.418 1996115.246 1786381.607 1094089.35 806032.215 1075644.243 927834.1183 2513041.172 1916530.559 1692564.185 2080051.672 1629538.293 1931928.393 Furazolidone 945404.9423 457676.1769 510941.3731 384077.5604 446666.5991 605276.8362 1191719.427 514367.1845 392415.2553 496230.6284 949976.2631 545794.9658 377467.1785 348683.6902 Gabaculine 2170928.033 1198691.045 2487905.439 2056223.371 2908421.091 1691043.187 3056957.986 2213758.041 2379801.401 1782705.617 2798951.299 3012602.708 2177882.979 2063730.575 g-Aminobutyryl-lysine 53393.93633 41693.96967 78702.62989 63092.77926 959389.9507 97196.99839 169280.1535 1505678.714 1197211.834 1508394.912 2057655.075 1764683.316 859408.4484 1046534.35 gamma-Aminobutyryllysine 555455.3496 1029856.206 407346.351 1216833.271 1114274.312 2529036.389 911006.2473 2272354.328 1194738.515 1346478.866 1213173.761 1363690.095 1542743.462 2605056.359 gamma-Carboxyglutamic acid 826575.8507 569964.8087 1228790.182 647857.6414 1620240.242 1385518.141 249847.9968 273792.3413 622767.3534 633561.2056 702169.4024 905150.8751 298931.8577 262305.3554 gamma-Glutamyl-Se-methylselenocysteine 22116405.32 17312405.7 10864907.29 10578255.37 9116592.482 18948653.47 14033965.46 24394268.89 20657411.38 16504821.41 26985526.3 29598280.47 14599911.81 18013183.37 Ganglioside GD1b (d18:1/24:0) 638803.6876 660481.5532 651337.0208 633265.9021 742089.9961 805764.3385 764363.5212 771979.6764 784529.8229 648425.9985 788025.9623 745896.8169 936024.5595 957088.5895 Ganglioside GD2 (d18:1/12:0) 8674520.699 8119383.621 8368240.448 9683369.699 9092496.399 12557322.92 8468137.977 31438729.7 10194655.81 7362729.155 10149130.39 14263010.47 8298378.867 8169133.728 Ganglioside GM2 (d18:1/25:0) 9477335.871 5416284.081 9529511.009 7126937.735 2166601.1 937831.835 2599009.537 1017254.514 804774.6109 1106882.295 976387.588 2236721.099 808618.3267 923049.5906 Ganglioside GM3 (d18:1/22:1(13Z)) 58289119.61 38551768.34 76592778.49 58819398.27 54411078.5 38110924.18 59509636.39 37838665.06 54967653.79 39749419.64 58140063.31 30401138.59 35531108.51 39130446.72 Gangliotetraose 22277.81586 21443.30115 21547.94466 23682.19871 37772.11846 34587.56892 31405.26726 34744.11411 30179.92895 31187.76003 30623.01924 28225.06405 28045.49449 27722.77469 Gb3Cer 8719081.144 4021584.33 2344673.604 3306613.356 2595978.169 5222388.973 9471953.901 8110203.016 4113725.59 525873.1304 3915404.82 3627191.789 2078573.956 4410410.387 GDP-alpha-D-glucose 210221869.4 208101453.5 213292483.2 211576501.8 162851794.8 163489198.6 207050230 171204295.2 171992605.3 163190579.8 196701636.8 176006785 196350532.9 209322170 GDP-guluronate 99810677.49 94390785.73 83599267.71 79767428.68 134192192.9 151831598.7 196186199.1 152105808 115212220 153546630.2 121444761.8 155111577.2 105710849.7 105258502.5 GDP-mannuronate 9244573.492 9821027.612 12199547.71 16434038.63 20776589.55 21990940.68 25545195.27 30141728.22 30763810.83 27832998.73 28416511.14 31601853.17 29796637.83 32282567.96 GDP-α-D-mannose 6395034.885 3798867.703 9780937.07 8860305.179 4046495.26 1776090.443 8060386.588 864055.2185 1866434.413 1119155.362 7583861.25 7411546.96 3975307.991 5659835.138 GDP-β-L-colitose 5523653.627 6926309.362 10257302.27 10702349.49 3956526.819 1217708.663 2788231.883 957771.2343 7950917.6 6732209.465 7423845.82 4742313.152 5119208.751 2888969.97 GDP-β-L-fucose 2335285.476 1513552.259 3281971.451 2955550.702 3506812.376 2573925.352 110168.0766 1977905.396 3175914.774 3368807.602 2685986.004 2249967.787 1725050.301 1986997.725 Genistein 7-sulfate 165190.6257 42917.31361 49091.70288 50126.12132 741746.3278 426198.5018 336341.1502 254433.7142 613948.797 544266.1219 162580.4342 232604.7995 123646.6138 136929.1808 Gentisic acid 813164.7108 514982.2843 1513713.26 837253.4745 4547754.991 2702720.244 2021927.413 1573627.714 2178933.363 2299461.094 1529224.018 1694841.125 1780159.808 2082465.916 Geranyl benzoate 1254786.872 2087780.111 1944479.824 2144668.612 4329214.842 5013225.937 3903944.456 5425406.519 6052338.671 5981485.157 6271533.233 5740920.611 5683508.73 6386689.961 Glu-Ala 1322206.629 1385294.116 1305922.636 1325056.157 1513671.485 1579841.366 1533234.804 1553495.948 1462220.15 1513697.7 1554979.02 1536133.801 1530858.993 1578583.602 Glucoheptonic acid 3514597.614 8605085.562 2220881.576 4813126.305 8640595.489 11031127.62 12063966.03 13434352.89 11302131.38 11027697.65 7186074.01 6756188.614 2983891.932 2939941.38 Glucosamine 6-phosphate 856648.6998 838361.6479 903072.3215 1285744.814 1977575.093 1652515.821 1096019.912 1305700.649 1092966.064 1575312.858 5009768.77 3864049.373 6129529.25 5009823.716 Glucosamine 6-sulfate 532553.5264 361292.1381 802970.5019 748081.5669 587610.6235 444006.8273 119856.6041 103363.5671 115203.718 102374.6257 154568.7105 190561.6709 98026.90959 80527.71801 Glucosaminic acid 874454.8438 555184.207 340817.202 634574.2644 4302535.777 1949368.964 1115996.827 3450980.668 2937772.976 2775490.078 617392.2375 1477577.404 318491.2281 352810.1618 Glucose 6-phosphate 12349220.65 13666908.52 37393288.76 37109105.98 67878651.43 31368391.96 31485452.71 31932291.57 68131021.43 46830639.11 14952297.77 14314399.73 29899010.47 26000524.33 Glucose 6-sulfate 333354.6391 341246.0173 339057.7462 349109.6618 375386.0108 375078.7522 383377.5967 359622.3432 348825.2764 383713.6977 371121.7878 369486.9196 348166.1419 349859.4339 Glutaminylserine 5780799.678 3780439.62 1561544.085 4572178.756 10962752.1 8195348.277 5744792.103 4436410.954 5830397.873 5499366.502 6431658.856 6027517.239 4117197.538 2660085.032 Glutaminylthreonine 6060012.838 4453005.09 2486048.304 3803381.312 1229130.477 2369636.866 383622.625 666296.4584 882078.0821 417281.0323 6364777.305 5145160.114 3503109.806 3262145.681 Glutamylglycine 3082408.959 1739362.216 4548106.524 3627495.243 4289955.433 3593215.642 492352.6696 2402957.283 4086796.167 3346684.256 3217104.559 3308879.857 1664020.008 2626071.147 Glutamyl-S-methylcysteine 2266838.686 863508.9901 1993997.501 1155051.204 2064474.689 1518280.466 2297952.731 1928487.646 1480756.346 1454898.202 2008459.753 2291894.994 1471288.55 1415169.103 Glutathione 67861085.28 81605045.2 87977596.43 93932320.24 58675646.37 69994438.74 40112654.48 52236284.23 71523764.28 55366688.25 146858548.6 134976072.2 67745517.06 62661639.84 Glutathione disulfide 92477442.86 48700925.19 84860904.83 88415830.14 183880251.1 78000172.1 149216280 90735036.23 118345909.9 135802846.1 212744004.2 247218673.1 59284733.37 63036727.78 Glyceraldehyde 3-phosphate 68521.95944 1316142.746 1343052.381 757571.9081 130988.3438 868465.9984 854918.0693 110729.8115 35298.03382 211245.0874 5842577.471 525330.7444 271437.9428 189036.5017 Glycerol 3-phosphate 550351516.4 523644459 806588559.9 354993511 345759274.9 494876647.8 250073768.8 607633518.7 297370471.6 267664342.8 350889657.3 326810721.8 520325218 282443014.4 Glycerophosphoglycerol 389053.4635 379044.9917 474854.7108 437809.994 562392.6659 506649.6347 433266.7644 466122.7268 577423.112 471470.2393 640227.9006 647624.9438 532083.1407 590545.6637 Glycine 68573508.05 50990500.31 92612872.23 60485552.26 79638022.98 104597255.8 32934294.68 55155859.44 72217338.29 61857398.94 44435914.41 54757667.54 25145879.99 23648765.55 Glycine anhydride 7378351.537 6938628.555 6912285.128 6902271.746 9693653.277 2092002.925 8255427.249 10883070.34 7198195.652 11781694.52 10290411.76 8561611.583 7001304.148 6652473.245 Glycineamideribotide 239597931.1 466290473.8 310288175.5 333182902.3 377020196.2 514687481.8 383436222.1 587371233.5 540016905.4 748007385.5 371455430 533225905.8 724824817.1 640330714.1 glycocholate glucuronide 8176726.461 8511179.4 10555682.87 15089580.89 14165009.08 9149777.686 14654032.89 9167827.353 13378720.24 9349637.605 13716383.1 7000355.949 7310546.883 8582982.764 Glycolate 2618047.157 2473515.787 2609445.961 2461625.53 5924191.058 7749306.841 8045765.557 7991572.703 4850012.859 4747403.876 7211101.745 4247243.723 5999821.962 7192898.954 Glycolic acid 16969229.96 16018997.91 16114286.72 14082786.88 25561973.53 23297558.09 28630689.14 27763318.19 29000754 26098976.87 23994704.54 29942461.99 24123248.59 23984064.59 Glycyl-Cysteine 598525.4255 861679.8046 406892.7137 2573744.553 843047.198 1834481.207 634349.9013 1766595.256 332695.8669 400765.0353 124235.52 819890.3217 1147447.737 296233.3883 Glyoxime 8542348.118 8726886.034 8211903.159 8406930.111 13513219.76 10606120.84 12075916.87 16179209.74 12511731.94 16692003.75 16331774.23 12649516.6 12100138.84 11484064.18 Gly-Pro-Gly-Arg-Ala-Phe 429618.7291 274183.7008 510825.4961 602650.322 85273.26671 86965.49211 108846.2914 205214.3243 515523.1297 405153.8138 625975.3789 341272.998 415292.7895 500995.0883 GM3 d60:2 655141.865 7867545.79 2834324.422 393252.7767 8488894.246 19815481.87 9765874.825 12912468.36 22593218.89 30606028.45 14476609.03 10454947.28 11153151.67 34442090.52 Guanidino succinic acid 2732837.808 1604879.17 1588548.618 1400680.546 3714075.167 909678.342 2167866.094 1615868.115 2390652.339 2825199.08 2559765.556 2649669.771 1466638.941 427315.9491 Guanine 184915.2338 165273.9803 327779.7384 316744.6932 691896.0905 437800.0213 787477.2163 163370.221 207532.6331 248556.0616 197284.2791 338293.8829 165144.9525 165822.903 Guanosine 2674719.127 2586782.14 2639777.721 2514911.495 3050541.464 3209959.713 3169699.603 3189442.919 2993872.6 3141220.874 1639254.578 3298273.002 1881477.973 2451267.582 Guanosine diphosphate 2088212.367 1717322.484 5600238.053 5967782.409 3426602.547 2477765.302 6676314.867 5414632.052 5778584.192 1264019.771 6732675.722 6428895.954 5787576.153 6933775.963 Guanosine monophosphate (GMP) 132616644.5 80890304.76 181617385.4 152327099.2 192251647.2 125133029.7 111432980.1 125070196 196257875.9 194693006.1 162685335.1 144369915.4 98567094.69 125059987.1 Guanosine-P3-Adenosine-5',5'-Triphosphate 492862.2789 320798.2921 5395332.408 2660750.535 537160.4607 487287.7301 1640513.488 567357.365 483904.0822 543473.2844 631082.1167 2453859.022 333644.761 402467.0106 Hemi-babim 264315.2613 172377.269 311731.8517 220925.4187 202387.9531 175768.5493 212505.9142 162554.1918 195846.94 141560.6134 220897.382 285258.6175 142912.3236 132924.6794 Heneicosapentaenoic acid 557784.5471 272784.661 741223.2006 571341.3186 1034208.883 711202.9776 1091974.301 531482.2357 796100.1156 532326.9509 995017.5357 1107659.866 406778.4722 488491.0353 Heptopyranosides 26055327.49 16375424.31 28477784.59 24973475.6 62234713.33 48427643.69 40824741.78 34445982.52 40321773.99 40094936.75 34885181.88 36873014.76 26859835.92 31966678.79 Heptulose 813715.0705 893072.4971 825889.1651 713756.0872 1225379.327 543602.1719 1066139.245 1023054.492 1450835.628 999890.9233 870233.9012 981703.0637 1120948.795 1046312.578 Hex2Cer 17:3;2O/16:3 3847873.705 370780.2104 642669.8129 2273422.627 4020536.243 1365756.194 3253230.777 3663890.481 1108818.319 926564.3701 3652346.165 1166244.157 5483387.269 599146.5771 Hex2Cer 64:4;2O 6802059.961 8417709.523 9917628.688 15931415.79 19957059.41 19179922.09 17727190.82 28383439.79 33458032.87 28730336.7 31910233.62 35830082.62 24296840.78 31836786.94 Hex3Cer 77:14;2O 2488155.212 4227671.009 6198171.4 2893742.447 7004328.59 6197356.928 2985875.789 6808538.815 6136649.309 3744400.731 9173609.862 6005953.531 6276420.194 5507720.517 Hex3Cer 81:14;2O 3700741.998 6166576.698 3042257.631 3528742.539 3994253.001 2205006.498 3899420.924 4272903.967 5080495.047 4382712.475 3351920.039 3531221.544 2879151.887 4526363.356 Hexachlorobenzene 317240.2212 343976.9463 430922.6528 445260.6641 540121.3771 459776.0107 425703.1459 422998.5243 524001.7495 522876.3381 580996.0374 587708.7295 482856.4891 557079.4024 Hexadecanedioic acid mono-L-carnitine ester 811447.0118 191432.7429 2392677.505 2052842.191 330927.5161 389506.1332 1280084.253 947098.9084 1196970.559 935658.7031 2377175.3 1476364.734 548757.9999 495737.9942 Hexadecylamine 1434838.448 2359393.867 3122314.842 3011107.385 2189257.921 2548503.029 3517879.886 2797922.999 3469683.674 2629082.714 1122187.2 538954.1529 2347870.013 2477960.127 Hexanoylglycine 2072904.921 998997.6042 3642497.851 2345967.617 1628299.978 1198733.969 1221003.718 861134.3195 3433249.027 2921500.402 1980260.441 2333028.739 1131013.556 1472871.506 HexCer 15:0;2O/2:0 1324688.873 3425128.832 1761930.54 2473138.689 3157800.518 3412933.327 1963370.701 2380693.443 2194507.934 1369600.372 1994562.815 1225601.363 3251442.402 1987662.833 HexCer 16:3;2O/2:0 2408305.404 2603222.746 2321355.243 2059228.732 2528923.163 1475356.412 2470525.737 2991569.016 3002453.775 1894504.203 2268159.241 1856256.315 1868856.503 1530545.922 HexCer-NS d69:3 5460417.685 4738289.101 5042761.979 1727765.109 5056861.14 3146262.692 3780158.101 2877602.857 2777333.661 4054279.301 6476479.644 3401998.379 8628960.416 10568359.04 HexCer-NS d69:5 4846818.008 4473798.455 6880624.348 5865344.473 6845958.92 4890867.128 7406014.838 4978555.142 5909278.357 5981544.566 8309156.971 7412510.034 4095421.602 5479846.104 Hexenoylcarnitine 3927894.035 3581773.372 1968589.258 2760549.79 1434167.49 2182348.872 758360.5637 1078672.56 1188592.519 1131421.269 7216936.627 6497325.852 5375788.976 4623611.809 Hexyl 2,5-dichlorophenylphosphoroamidate 795269.2606 1249662.614 1107513.992 937948.5575 977352.1568 1173844.606 926401.7585 741099.8458 977256.0064 927020.1965 1152677.586 1316242.589 1009000.415 1074835.721 Hexyl glucosinolate 707158.2276 1549412.449 1008208.967 1915447.549 9695466.855 7629144.386 10781326 6036262.761 10943126.95 11788484.21 14759979.51 16654850.18 9669976.458 8141034.454 his-asn 294195.4081 304358.0729 356134.2172 352942.8331 3899925.089 3010904.821 4713235.004 2231154.676 3741521.357 2447835.452 457609.8041 454925.0414 387381.8707 438772.3493 Histidinal 1107493.143 1386451.96 1328883.266 1157962.228 1439481.435 666534.225 1083165.477 715411.9059 1821069.131 1985956.789 1402227.019 1627848.305 1751008.616 1732571.944 Histidine 62574.26214 62624.16961 61028.87151 70672.60487 104872.3758 87683.21753 89521.50372 100533.8462 85219.5011 93271.13966 102454.7497 81992.40656 83944.36482 84250.23781 Histidylvaline 15150590.6 12602248.45 24793393.12 27495412.27 41528050.9 34297329.65 23635421.85 40963562.07 34620114.61 31323305.5 33123243.96 37996563.99 20935871.28 28830595.41 hodgkinsine 3759175.092 3142629.38 1340563.68 3785262.933 3356074.681 2936421.329 2766603.016 1296385.007 2694779.694 2870058.377 2572704.027 496191.4801 3383845.228 4220961.061 Homocitrulline 19359996.32 19569673.77 23465284.24 23452323.98 38347704.63 42655676.33 46969896.26 36104925.69 42008273.04 38457678.06 46713459.43 55747235.65 40158870.83 39917285.04 Homoserine 269607.9428 211832.4104 244717.3671 165171.7736 2256447.531 1822870.968 1156084.844 1084643.668 1011181 880823.9966 1233902.195 971977.8499 911407.1832 624427.7912 Homovanillicacidsulfate 406629.8839 84597.78826 337388.7299 218821.4285 488042.0555 157168.1431 334361.9099 104684.6841 112495.4727 122643.1396 291958.7214 501627.3587 83592.74299 89699.80743 Hpmpa 361237072.3 271263218.3 342901941 153082537.7 186849759.4 164736558 289471762.3 343091398.7 228544186.5 226851082.6 519757258.7 618148482.4 119411320.6 52253882.2 Hydantoin 4484036.53 4058561.934 3607087.646 3423577.803 6261985.438 6592297.27 7830776.883 2237411.564 6429748.247 3418587.852 2164130.797 289883.7357 2937777.938 1896721.502 Hydralazine 171678.9455 206307.0039 132812.1695 100101.8036 386930.0893 796892.639 792207.5226 729686.6778 619945.017 693799.375 354487.4564 710901.2446 742107.9577 211655.3941 Hydrocinnamic acid 26129553.61 18886067.43 28859698.33 27851013.94 42837350.07 45410010.12 42670818.35 31917055.14 30491456.87 24858584.57 34360945.87 27502117.27 25164045.16 27085278.72 Hydrogen bromide 34169397.33 28672816.3 39380085.68 25034313.28 24381984.75 23562604.29 18147403.89 22649013.42 20999195.13 19643076.94 17188645.66 19340336.88 8022127.777 12378139.93 Hydromorphone-3-glucuronide 297417934 278940722.2 304198692.3 296588942.1 227243771.5 210242674.7 290207274.9 233347614.6 237794519.1 219284794.8 166554186.4 246112451.2 261273396 281858982.6 Hydroquinone sulfate 3417620.899 2611261.147 8288421.769 9874777.134 24940595.74 13588671.03 16952876.47 13198146.74 40067908.06 24965503.96 8886310.804 7106015.879 10828593.5 11468290.19 Hydroxy(trioxo)manganese 514006.1766 651623.7941 538363.0858 289691.8425 831358.9806 353900.5224 450294.3358 400917.526 554628.4266 692039.5817 838749.8658 1093152.851 948511.8708 758342.3904 Hydroxybupropion 3445090.582 1978298.915 6854359.15 3230772.779 873649.373 1285164.297 2885601.379 2079056.325 5750975.092 1622496.801 1252356.635 754956.7641 1761909.751 5133478.456 hydroxycitric acid 4896573.517 324463.4296 1834782.979 721804.0444 3022046.068 840116.3054 2121878.141 6167891.368 5284609.203 4276872.194 5048755.613 3346441.28 2243512.998 2841581.108 Hydroxyphenyllactic acid 10590096.53 10443177.96 7137068.091 10094204.87 9444244.475 32961635.59 31528644.59 41132828 38105354.61 40178914.73 50454588.43 64124616.24 29279160.57 33335509.9 Hydroxyprolyl-Asparagine 241768.0432 247807.0294 284608.9018 285890.5263 287079.1364 319277.5405 306924.709 297109.0825 304238.9099 295196.7734 300702.1785 291531.1246 309534.6139 302468.2286 Hydroxyprolyl-Cysteine 254818.4613 251209.6717 245137.4387 255569.189 385182.5189 325152.5415 346793.9364 410298.77 329711.2639 407347.2 428816.4369 343744.1681 311823.3216 313047.8922 Hydroxypropionylcarnitine 326037.0821 227331.0711 387098.0139 309283.341 1628112.846 1045117.306 740846.8227 488527.0909 432710.2643 326463.0308 694224.7134 1216496.217 227275.7216 209871.5341 Hydroxysphingomyeline C22:1 193496.6081 127582.351 198614.2209 177762.3874 176148.3426 124072.2585 128884.3304 123594.6324 124637.5778 143548.4409 120355.0154 321998.8769 118049.5493 130811.9467 Hydroxytyrosol 1102694.656 215138.2472 1108985.773 705351.7094 1648678.579 970587.2679 1353354.047 1088498.228 1378221.145 1096603.274 1382068.807 1726828.357 564039.1908 330672.1322 Hydroxytyrosol 3'-sulfate 229436.8236 94421.713 307716.5197 125369.0765 1262134.518 771435.7138 224747.7875 247465.8253 205773.1782 307710.0049 536759.4677 696736.7935 151301.2353 231389.6821 Hypochlorite 23641571.39 44846153.46 22304586.57 35193384.86 4142804.176 4332008.973 3793024.749 5017910.904 3595914.481 4190661.179 4443855.621 7527622.065 6897723.651 3188697.741 Hypotaurine 10905298.62 6717329.544 17522006.97 12096108.47 16217994.48 10606515.8 3639263.959 3486853.62 16558140.29 15160491.17 6449462.283 6365491.992 7052811.15 8151239.092 Hypothiocyanite 799562.9347 1007729.98 793346.0065 797059.1431 3093360.819 2954597.009 5972737.622 3169747.509 3279885.551 3373476.137 4446448.165 6329468.174 2367666.728 3485210.679 hypothiocyanous acid 131289.3808 923505.568 479846.0088 327490.0011 108692.2879 160561.0857 398612.7846 656373.0288 1036176.161 599879.8272 287405.3986 689266.4235 420141.2886 1234711.164 Hypoxanthine 3259683.164 1558396.14 2546631.179 2279751.061 4711171.018 4972545.504 4950559.216 6653417.438 5755793.077 7590580.929 7040680.993 8701926.325 10021458.69 5834807.889 IDP 6370016.623 10811585.48 6976512.782 7348787.28 3835986.472 5898162.148 3657046.753 7370602.182 5842604.794 3874295.213 4845994.855 680597.8932 9256934.828 7965701.075 Imidazol-5-yl-pyruvate 335053.066 401157.8059 389703.7623 265937.6975 571008.724 92591.20754 443095.788 1008460.958 201488.5318 797411.0233 343871.3816 1206579.233 842429.1879 463564.3581 Imidazole 5557762.221 5231953.881 5352204.604 5442082.645 6579728.309 2797440.268 4950858.014 9521870.701 4475785.904 11101351.27 9811874.231 6065926.592 5255016.981 4178194.899 Imidazole acetol-phosphate 7454399.684 5532593.237 9389617.194 7066724.979 9878062.105 7750099.595 9196659.214 4937478.771 7017363.201 7180653.855 7489910.116 4381127.001 4508757.169 6086350.507 Imidazole-4-acetaldehyde 1211300.711 797089.2422 1403218.851 1265457.128 1321110.25 1078868.552 1451632.523 1166105.856 925801.393 1273341.823 1033099.294 1364815.768 867488.488 1061863.266 Imidazolone 249922.2265 253048.8685 255604.9028 277714.1912 268419.7481 289479.5401 269805.1373 293962.1009 265836.5557 273970.1665 267377.8144 283643.5297 283892.677 291444.5246 Imidazooxazole 1819188.476 1743409.191 1847264.212 1981849.773 2713060.739 1581873.711 2287599.34 2705660.239 2128290.963 2542888.336 2347516.338 1705716.665 1889913.174 1861658.665 IMP 3149209144 2354678829 3556467816 3097171273 2567824610 2667849927 2815462054 3177140347 3091574651 2806238520 2775816830 2811293215 2771329433 3131901546 Indole-3-acetonitrile, TMS derivative 28487805.41 16068513.3 18166057.08 16797812.95 35194832.07 25918667.91 53700273.46 35458726.44 26123402.03 25933364.83 31742875.57 34288877.1 13853491.23 14754972 indole-3-acetyl-glutamate 574987.1914 388438.3444 728489.789 562823.7638 479250.2123 351671.8604 636977.4396 359021.2823 503378.4438 514595.2226 694341.1275 850738.9013 106646.2888 146093.1608 indole-3-acetyl-glutamine 18710263.22 5343251.369 10965954.56 6892385.099 1285540.532 1214823.27 5392358.001 470365.2401 108768.1377 160458.4453 315256.1827 217978.5966 167418.9507 355933.9181 indole-3-acetyl-phenylalanine 182615.0507 115448.0378 304110.3007 229767.9442 135926.2447 101625.0572 103956.1844 89398.45057 132911.349 108109.8299 95978.84806 99058.70117 79597.06028 94493.52923 indole-3-acetyl-tyrosine 224850.6181 235793.2624 252999.7578 263143.8475 306375.8994 283590.9668 299996.7798 275529.879 310194.6819 290356.7635 307766.7178 284950.6606 286994.916 312907.2951 Indole-5_6-quinone 251842.3882 257592.2126 258786.4752 213780.5823 318847.4682 175208.3161 195896.5768 175838.4219 212696.8206 247308.8578 307725.2325 336265.935 180941.3975 193866.9773 Indoleacetyl glutamine 3590171.06 5666466.531 5410411.874 6923124.013 13658375.3 14260892.89 13744616.71 12606682.32 15877281.75 14498767.37 18603484.66 20220502.76 16163760.51 16128813.1 Indolin-2-one 85681.77192 56005.73443 70181.49728 75955.11328 392710.2276 270314.8167 39743.29872 115083.3991 79220.4096 78199.77225 156527.4266 239974.4184 109141.6471 89658.31746 Indoxacarb 3029336.035 2277049.885 1567357.5 2152274.815 947090.3631 949469.4759 2275010.781 1896796.191 1231533.851 1119643.887 1597319.294 874497.5251 1668679.276 1630433.908 Inosine 522722266.5 370160603.8 432886570.3 312780227.7 301958575.4 258393128.3 260631209.2 257071509.5 280992950.8 288597246.4 650849344.9 391197816.1 75462132.36 94345721.49 Inosine 2',3'-cyclic phosphat 38781326.86 35069718.61 38742712.76 39237430.53 40052293.45 42612232.94 22277329.18 33627244.55 35557143.41 29989758.3 48678364.23 54147668.85 33050296.77 29382056.23 Inosine 2'-phosphate 39672193.63 46987341.47 26256826.63 34509664.96 43489345.49 58124137.07 32866928.77 65870031.5 51187010.44 48979914.03 53431060.2 48606900.89 88785340.95 70631681.21 Inositol 1,3,4-trisphosphate 543854.1314 513830.2326 536749.4498 511360.237 611486.2721 609049.8012 610079.5677 648513.5918 373476.19 625778.056 111504.8569 670642.1547 105996.9957 374376.4729 Inositol-P-ceramide 459641.6755 404419.8613 172984.0619 200559.8238 29287.49525 35808.66403 51297.58788 46414.19549 36750.15324 29676.56749 25858.25733 26873.91056 208384.6882 29084.4343 Iodide 2862076235 2306107326 3451102928 3109288994 3038673948 2558807749 3278031571 2660545808 3342129827 2541770757 3373682365 3009621987 2676026777 2968640310 iodoacetamide 1778940.124 5130333.918 2469942.862 1755752.573 5640312.043 5338241.34 6222971.703 5992145.634 7372150.085 5295199.59 4244723.466 3196200.707 4044718.22 6735667.558 IODOETHANE (2,2,2-D3) 152122.5779 119218.8203 217920.1694 164248.7 139289.6833 100327.0956 159101.9674 137280.5853 152391.9025 138126.1796 172049.4699 170904.3973 113437.846 127567.4389 Isobutyl isothiocyanate 33705.14947 28604.52195 37555.39467 33191.47878 186302.7217 160765.0051 120070.0758 42579.0888 225945.8353 295117.1687 165812.5273 123734.6624 74744.91685 54627.64312 Isocitric acid 144415000.5 76787242.66 3192132.69 8838838.567 225754673.5 168870514 316208790.1 173950611.5 121575520.5 150872672.2 185673459.1 264151664.6 142853996.3 100270236.9 Isodityrosine 189946.8922 171333.6206 221862.9072 200194.9993 225679.9785 202995.0098 215584.0217 182174.8559 209109.287 209593.4001 193863.7258 190640.4542 176743.4039 184065.4438 Isoleucyl-Lysine 6614686.821 4409706.425 6758907.541 5388176.564 106656.3218 1248183.105 7673502.6 88803.45691 122698.5762 103557.0611 91739.89309 478792.1895 78442.49002 80114.78799 Isomazole 1032781.446 1112717.723 1314292.465 674435.2876 5157825.369 4982451.592 1495676.944 1961294.09 2959746.063 2111651.687 2225979.709 2344118.182 1425498.779 1029213.396 Isoniazid 642880.704 1063675.127 2172781.358 2117485.942 2317066.848 1734325.613 3556379.997 3138784.785 2469399.412 2656829.437 3528548.735 2457977.952 1653699.975 1072758.494 Isoniazid pyruvate 22268866.61 2319756.511 5488547.349 27081560.85 7322835.738 2841987.551 4909885.409 1770640.153 4630879.358 1598532.808 1611278.228 2093489.235 668953.0525 2254104.919 Isonicotinate hydrazide 3995542.061 3998216.502 4134201.131 3998588.144 5698063.974 4654813.237 5323201.552 3772007.821 5809844.192 5380072.222 3723093.083 5419660.781 3869321.542 5610519.934 Isopentacosane 1855162.43 2930805.389 1758872.481 2219089.763 2299187.874 5482667.275 2473883.707 6752146.08 6688813.895 2640856.646 3682430.528 2197475.283 6749916.188 4985362.321 Isopentenyl pyrophosphate 2456260.254 9141729.752 9177724.37 13842785.75 20356550.08 27731311.31 35378131.64 19054361.29 28769469.72 26166827.76 170370185.5 93376355.14 43374409.57 36294936.26 Isopentyl beta-D-glucoside 1199040.842 1610049.258 2100942.484 856556.1375 1717581.507 648693.4633 1086715.767 1444730.618 796459.1883 1029117.26 306032.9265 1174893.05 154243.7451 1017195.1 Isopropyl-beta-D-thiogalactopyranoside 11994987.07 4991109.481 3496993.173 2421056.292 1693785.877 2952468.307 4600285.274 2076947.503 2134667.197 2244597.06 2172151.988 2411439.98 2158300.437 2413002.965 Isorhamnetin 3, 4'-bisulfate 337394.4412 234823.4339 388609.0641 343810.4746 332456.0754 278528.2333 295444.6024 252788.393 311594.3379 285607.8382 385567.0718 410763.0572 261251.6102 271023.6013 Isorhamnetin 3-sulfate 1312947.678 1718418.573 1748633.081 1136252.912 1687653.751 837831.3345 2149873.858 2380772.924 2918091.626 327711.5008 2674456.179 315581.8231 2637964.105 3166541.331 Isouramil 365473.9185 385331.3714 298797.319 334201.548 989467.9643 940598.7845 558757.2197 287526.4412 1003095.354 578731.218 369209.0938 1356918.53 737931.9962 919333.0256 isoxicam 108062224.6 86170128.43 157267293.8 118007731.8 168954136.5 118126003.9 138143422.1 89926655.76 116470170.8 101453465.6 126624689.6 134988860.3 80019980.28 99439794.35 Ivosidenib 90848.37704 85495.46921 119514.8481 97654.18059 96534.45339 100716.3317 86424.52196 99645.14904 108267.1666 104090.9091 96961.24243 97638.24706 79177.50113 73378.00591 Jamaicamide A 21738.75866 19364.95166 20176.20465 20673.9982 33335.64802 29757.87285 27155.25436 29351.09716 28422.67937 30434.55805 30031.32418 29368.86575 23483.03686 22714.95488 JASMONE 4329913.318 2973594.508 3797949.67 4286205.379 6368506.003 7505227.115 9394875.134 7641990.498 8038181.746 5872823.712 6599976.17 8281076.362 5273761.651 5275115.03 Juliflorine 17117368.42 17490570.84 9215794.915 32992603.7 17916353.92 17740689.81 15076282.5 17135678.11 18698254.35 649686.9474 9701149.953 53275702.66 2222982.296 8738343.455 Justicidin G 6429559.274 5934012.799 7237259.785 6581350.801 5379337.825 4608428.257 6342889.826 2884949.736 5742686.779 4281816.964 6238153.61 2045127.793 5539433.273 6416165.467 Kauralexin A1 177628.4958 153561.1292 280780.2464 272969.2446 250436.5097 218134.9773 125490.0508 205829.3807 193951.4873 165098.37 446471.0013 269813.396 341862.2033 366649.1032 Ketamine 10086883.11 3283084.032 17303188.16 10159963.27 7979339.263 4680485.764 9873374.756 4937344.23 6148286.76 6832469.558 2531103.291 3707161.424 591700.2272 1318767.523 Kynostatin 227 648923.6589 95057.95292 368208.4267 139985.3797 727217.2572 445695.9047 522976.0265 237429.0132 295056.9251 180774.2159 569326.6301 782304.4228 131632.4305 115795.9806 Kynostatin 272 716370.7045 155237.6388 505543.7833 224053.3573 569239.556 556248.2551 645939.2839 435999.4636 414195.4858 343358.3126 445648.4427 651784.6472 103037.1399 90640.93565 Kynurenic acid 1076163.879 866203.3458 1098265.025 894688.0914 1163428.749 495176.7049 1597137.374 1147888.438 1533924.641 1454172.704 1940751.836 2244959.317 967034.202 1638574.727 L-(+)-Lactic acid 488427688.5 282702585.8 214603690.1 394368526.9 821597201.2 842224244.9 859602537 890001114.2 934590345.3 388194950.7 555801680 1036160448 938565646.3 1061739380 L-2-Amino-3-oxobutanoate 25998847.11 24474314.6 25809426.21 24887072.12 47953100.54 54203744.91 50985888.85 32502991.87 50939325.21 29168338.25 28168997.89 46779942.37 44969666.09 49219475.89 L-2-Aminooctanoic acid 3269114.604 2097845.327 2303024.853 2949152.7 3315363.351 1991381.758 5057581.076 3656115.588 3711852.681 5643935.064 4211509.107 4525298.266 2666327.194 3112092.011 LacCer(d18:1/24:1) 4117282.256 4601939.974 3637379.507 3779197.891 4074759.578 4563927.352 4164639.711 4998069.191 5101585.046 4199134.643 4772698.878 806832.423 7009517.037 6025112.105 Lactic acid 1452628.592 1550126.806 1481129.176 1476100.29 2026509.062 2833498.596 2742976.908 2735750.101 2531159.831 3731184.008 1791957.476 3250148.342 3065994.303 2551916.533 Lagociclovir 1461728.05 725460.1686 1688651.183 1314622.563 2576253.053 2091554.385 514459.173 101009.4888 2901188.825 2769055.004 2213102.508 2175496.023 1257696.799 1487005.32 L-Alanine 1048040941 683325514.7 1288607546 1011568040 964302211.6 669104920.2 1090669857 707590488.7 827219015.6 744127128.7 1017719296 1022072926 630067893.9 757117100.3 L-Alanine-4-nitroanilide 285373.0993 213229.4829 327434.1099 299117.4433 441298.6782 263480.5272 192737.5322 210345.1126 455703.4828 427611.2465 347055.3352 443587.6009 413598.3442 356623.5806 L-Alanyl-L-leucine 1411229.188 1009043.509 2088006.738 1355668.97 3114411.035 1168057.214 2177275.387 979752.8 1270999.828 1544612.101 2872102.47 2616577.127 584629.1072 1314955.123 L-Anserine 356482392.1 256545580.1 549135192.7 496277775.3 586188702.7 486052439.9 448593940.6 534377147.3 505699456 445520919.1 409502406.4 392970320.6 319324083.2 425749936.5 L-Arginine 495824062.1 301055866 359588643 283174263.8 423282086.2 318605003.1 824657828.3 584922466.1 450915335.5 457596641.7 478808701.4 475189906.3 237845191 280143578.3 L-Arginino-succinate 6241813.338 4362375.475 6780480.753 4988661.397 10731281.7 6487076.782 6117963.614 14008593.77 10231460.75 10913359.21 10767486.28 7064360.636 4538477.143 6635380.462 L-Ascorbic acid 18938.35704 16644.11645 17698.87497 17768.26631 27883.39053 25233.62826 23579.74473 26975.4671 23010.34875 26318.37159 24925.31455 24005.13942 21941.72188 19991.34368 L-Ascorbic acid 2-sulfate 10132166.34 4133976.453 14616231.45 6015724.616 4434786.412 8246506.618 9933967.428 8496801.533 8287008.092 8387323.306 12159201.56 4480101.485 2848818.41 3814215.436 L-Aspartate-semialdehyde 2193051.906 637239.8224 1528156.175 887622.6701 4067927.431 4434070.103 2602461.633 4043786.993 2304677.328 2894475.208 1511227.032 2857665.199 4319518.715 2682592.842 L-Aspartic acid 2645751237 2263331354 4216387240 3786884899 6284481097 4704075825 4061330920 2582793411 4666481889 4153439878 4510717508 4387232889 2535713888 2299901613 L-Aspartyl-4-phosphate 828682.0579 756436.4162 687639.3686 697570.1697 980166.5165 997642.3197 1320647.798 854426.8611 807737.4569 1030744.294 836883.2013 1055479.348 848040.4107 934485.8949 Lauric acid 13684234 8081133.384 16707238.21 16328561.45 18400053.63 23184999.81 21323603.02 15446195.66 16434259.11 11723842.72 19702017.76 18362085.65 17603529.01 14478386.21 Laurinterol 130154.8908 115245.5489 114823.7542 115343.5047 112997.4282 36164.01733 51496.12622 49379.23737 60068.1708 68426.17069 152925.9511 148191.0145 32067.30431 54896.2206 L-Carnitinamide 21655894.59 12997522.85 31877982.43 25020317.87 25402406.68 18801687.43 32064779.97 22970753.11 16379994.27 17414433.31 22545926.98 26565334.67 7884007.007 8919309.53 L-Carnosine 149564870.1 87828038.13 304303849.7 263073838.1 426618409.7 337798109.2 134093116.8 171084149.9 210919211.6 174027544.2 100220940.8 86887405.14 126033962.4 171701894 L-cis-3-Amino-2-pyrrolidinecarboxylic acid 2024236.819 1883282.718 1851962.228 1887090.62 2408316.622 1133462.18 1865664.41 2278929.717 1808642.772 2551496.842 2520467.97 1942315.173 1664871.76 1663483.373 L-Citrulline 140949876.5 117617499.5 158889528.6 151788082.6 158518120.1 152280461 132583332.4 115441456.3 158077455.6 134999808.8 272159882.9 307562350.9 144014042.9 142967029.5 L-cycloserine 42913472.83 37643102.97 45183389.34 37922384.42 62130583.82 59716038.7 55881517.64 52833848.69 55011396 55888503.77 54619414.92 50722407.69 52226743.95 56810287.46 L-Cysteine 12633799.43 13715691.91 8695623.424 21009061.46 828227.8119 831040.0322 742357.1911 733029.0046 634604.511 708033.7636 728086.9105 687745.4888 557685.3952 798149.3 L-Cystine 405216.3717 301277.3622 577724.7067 453731.1521 484818.939 412134.8065 334483.8368 369875.3832 453149.1353 385049.738 573005.3548 603482.9518 469695.6354 520307.5578 L-Dehydroascorbate 1573228.972 1592333.594 1501099.629 1531223.276 1739897.634 1843573.256 1773327.662 1785674.072 1794989.094 1755003.648 1787378.798 1845259.641 1759653.907 1832685.338 LDGCC 29:0 2271856.332 3320427.984 4287168.478 2273085.287 3410723.211 3270223.831 1856511.91 5686144.783 808544.4803 8202832.147 693120.4382 1320957.455 6081991.334 818650.6277 LDGTS 14:1 697247.0865 2115325.501 1483742.166 1268558.073 985872.5147 734169.4355 3045174.873 3232468.542 1434444.154 3884201.681 3611342.054 2266742.658 497784.7506 1077746.869 LDGTS 26:2 313188.9366 142147.8025 626893.2687 219713.5602 2399352.849 121997.8296 195862.876 197863.9772 176921.8538 201559.7802 130449.364 2664096.328 119810.2467 145530.6484 L-Dihydroorotic acid 497608.4913 334197.9166 854572.0688 138504.12 855314.4578 812289.435 941516.4448 1007350.12 897513.1027 392534.781 325171.1412 659520.1766 843966.573 887442.0296 L-Djenkolic acid 12519785.76 18545060.19 13865344.16 14335048.13 50383222.68 66769302.63 46749591.62 68950630.59 65642234.08 85703623.07 38895856.3 57426464.62 75896123.68 84455830.44 Leflunomide 223240.9167 617043.8263 1377096.88 1363350.781 291151.2514 336893.0205 229572.9848 201600.7922 1227031.352 984142.5297 333043.9458 251320.5186 1053765.1 800519.9025 Leucine 17019918.96 20008134.6 28731436.05 26060999.78 38355261.27 38586818.04 64515210.77 42598472.11 46299336.3 55324947.32 40048131.78 57873860.45 24772265.69 30638105.51 Leucyl-Glutamate 1435980.121 711950.1425 1200716.59 964949.1159 1023174.657 4645467.642 1898070.782 1430264.11 3626169.599 770345.7609 1008348.447 2326236.006 987946.7906 582576.1627 Leucyl-Lysine 771384.7997 711608.98 1985854.229 155754.0547 6220855.454 4420682.598 5006672.093 9087396.752 6623256.736 7867766.485 11597969.51 14557581.01 5647451.662 6660600.321 Levosimendan 2120430.436 1249447.394 1048332.033 865734.9193 1714136.521 1339261.873 1230536.758 912291.9925 2073843.411 901060.1544 947372.9737 1051040.391 652491.3736 583152.0482 L-Galactono-1,4-lactone 834708.0238 265631.3779 1285229.126 1106739.916 539167.3728 326634.6992 1006306.749 3378282.039 4028541.762 3479850.475 2230090.402 2320847.581 1160942.256 2042081.322 L-Glutamate 622530.4157 472722.8828 590632.8839 285357.2431 701073.4955 876693.5861 363037.6062 494625.2583 779816.0164 743780.2867 749929.5125 735752.3121 597891.5064 514885.0859 L-Glutamic acid 19192088.19 10967960.41 10913809.04 10503147.94 18565145.54 20691138.28 10036030.61 11284144.01 16501141.53 16328222.21 10715441.4 9386855.636 12081743.86 12681315.31 L-Glutamic acid 5-phosphate 28032563.77 12811820.67 13812910.4 25446495.07 9099426.609 6161258.991 7375926.089 4514241.886 4839076.306 5603414.528 5415016.016 5339928.731 999815.2037 2112970.357 L-Glutamyl 5-phosphate 19411576.87 13043231.19 9323445.398 18734160.39 9099426.609 6161258.991 7613655.642 4514241.886 4839076.306 5603414.528 5415016.016 6549742.913 886791.297 2095017.103 L-Glutathione (reduced) 630512234.1 462546472.4 849133160.6 686994131.7 418942520.4 417084584.1 393166036.6 320327848.7 464012599.2 393555264 482985165.6 494955808.8 331705925.7 284096529.5 L-Histidine 4400035.044 4360294.343 4491915.44 4179733.088 6233569.593 5336435.455 6177753.624 5660384.528 6066151.703 6127723.291 5381316.662 5797082.877 5595209.839 6221790.136 L-Homocysteicacid 42942346019 24945465664 47379955053 34974135113 36993029909 24646710036 49116961178 35220142509 35441063443 37820478362 46003800932 53406864397 21309003380 27380650044 L-Homoserine 13023083.55 9644189.706 9929222.123 8902070.465 31892943.65 29780568.9 40273140.19 35850666.45 35444003.31 36231481.76 29469972.34 48378240.03 36863828.94 34281000.14 L-Hydroxyprolylglycine 14349616.18 10857839.39 14337160.66 13353932.7 20731221.11 19283208.74 8202333.921 5110970.451 11428292.98 10168611.62 7861164.412 5312140.686 7167803.107 5133914.098 L-Iditol 86707308.91 80637185.9 147474626.7 100489341.7 149734780.1 97969604.42 181693345.7 165736675.1 149297944.2 209948798.7 112586280.2 193752285 99180519.18 141359055.9 Linoleate 5610278.208 3937912.833 3487270.559 3671320.747 3674323.83 2931221.876 5319042.357 6287684.797 7199715.342 7529798.229 13249715.35 10144102.43 7783808.836 7199015.447 Linoleic Acid 11929735.22 9696624.632 7831379.112 10224082.4 20197089.7 8175929.489 16635036.45 14650464.94 17409688.28 17827292.46 23910610.91 21106630.14 14885563.58 15132226.89 Lipoyl-AMP 43860851.1 25315675.04 31805561.98 28044937.87 15965992.05 13690319.13 8323175.491 8437817.295 10917147.55 8071869.1 8520046.827 6477056.528 8024844.226 6193468.292 L-Isoleucine 2020217.449 12253002.21 4636985.377 5782812.434 5797308.576 9338504.31 4560087.382 16348471.09 20615395.54 22551837.44 8974798.085 8097950.158 45687048.9 51848194.41 L-Lactic Acid 444592595.3 234032774.2 642757103.6 418029955.9 1726268033 1104258629 860171682 531863952 1417885410 2018091646 745557442.4 1040978022 411333495.2 613826198.5 L-Lysine 560613.4549 416814.7062 799277.2909 627733.2471 596522.4654 529665.0239 411227.357 459483.1386 554642.2462 515296.6026 720593.2792 707568.5841 594394.5683 621484.1605 L-Malic acid 1074375949 534950232.6 88603729.26 174398382.7 1463882806 1227345842 1275315211 1311061982 1373700061 1585777260 1505081023 1591455467 1221479105 1203179426 L-Methionine 20645347.57 21762709.92 23073013.43 16398186.85 36039578.62 31305305.15 37864779.87 29240521.86 45456921.23 52422440.78 25577193.25 39448415.45 22367921.61 27595232.09 Lonafarnib 5359208.151 17421667.84 7609818.311 7589569.984 10399312.53 19506768.59 11466258.78 24000355.02 20481998.46 29878815.61 7842409.355 16949402.45 34768355.69 30538840.57 Longamide 2180455.644 2519106.464 1834767.81 2431183.987 2352788.06 2201294.703 2377514.934 2942129.439 2414700.045 2513811.823 233620.9382 2197836.27 3433152.715 3922164.327 Lotaustralin 1776759.363 1128281.574 1055879.585 947435.9047 898399.1413 908715.6316 3079777.084 1619331.967 1137157.77 1136033.783 1183672.198 1681635.096 698184.7272 413942.476 Loteprednol etabonate 91100.47094 74781.05762 111001.5788 106718.4938 111993.3001 92240.46845 101958.6136 85371.28081 99355.88238 96496.70802 86806.48125 78975.85303 88188.3979 91482.47262 LPA 10:0 3440950.913 2369950.049 2318019.611 2177059.166 2750453.25 2406649.853 2925605.482 2005297.145 2820034.283 2251127.388 2577439.088 2924590.038 2218801.633 1841667.317 LPA 11:0 516908.1831 3268683.515 2914762.337 1319119.309 488898.0234 508574.2204 302165.4196 436439.469 707670.681 568110.5914 1474740.615 319014.787 489678.4226 386845.4879 LPA 13:0 2828466.584 1485568.693 1271491.578 1573441.419 1113748.273 1635330.505 1693811.534 1368328.52 2473773.801 1981387.888 2406074.484 2559990.589 2150309.45 1482546.324 LPA 14:0 740344.8125 665960.6186 724822.4173 374025.0077 480658.0486 261453.3791 236093.4656 221937.2283 809999.125 518649.873 911146.5225 949292.4272 337564.4971 390805.0401 LPA 14:1 2946535.537 1601340.201 1174004.763 710801.8645 1666461.019 1562291.999 1687904.715 1481932.455 1433580.434 1001330.913 1748982.261 1800820.139 1051625.68 488073.3024 LPA 7:0 740829.1977 677173.4901 1453352.539 1439658.768 2314910.179 2237018.955 4415991.073 2883587.638 1014217.796 1568511.01 2190542.532 2955111.174 779469.6914 557173.8537 LPA 8:0 1280559.83 626047.9644 1047505.625 1073316.304 1885447.471 887936.4689 1068295.888 1125572.732 1081133.752 1074155.928 1487305.248 1665758.019 942930.1504 607590.761 LPC O-25:0 2020486.206 1236383.508 4424650.935 3152720.267 2728211.97 1637870.815 2606498.241 1558529.816 2717674.468 1793169.309 2690012.117 723600.4508 1050723.711 1252212.88 LPC O-6:0 122520.9605 121894.963 119994.1846 133647.9557 207503.9452 174742.6985 177023.6016 201542.7789 167942.3513 182350.9491 195282.1286 163923.9371 168285.4204 155384.8453 LPE O-16:4 6582025.42 1779697.355 8964928.954 5858011.126 6283736.477 4268677.891 5449217.945 4121673.149 5623549.328 4277015.545 6794137.129 855596.0986 2647589.254 3468221.429 LPE O-2:0 86007507.4 48510542.57 77665983.72 53803922.68 76282517.8 48797121.59 62359687.23 48348543.46 63850077.93 73338314.1 110700447.3 119839653.1 36206809.52 43773130.73 LPG 15:0-d4 6676315.497 1987121.648 7799988.125 8973580.199 9061031.688 5741131.935 6235587.201 3526076.815 15117317.88 3967780.594 17452795.43 16407675.26 5431105.261 3647844.367 LPG 18:2 900624.2522 973516.7038 868107.8514 770081.4581 945731.1888 456385.5805 923892.5388 1118744.991 1122815.52 33550.53018 848214.3573 59972.57939 698888.7238 54205.28095 L-Phenylalanine 3547620.53 2619378.551 5821117.826 4710791.456 5705926.202 3530753.242 5900776.783 4880532.512 4764158.076 3258593.668 862797.2876 5300474.302 2423825.749 2981730.255 L-Phosphoarginine 1476934.458 1294121.888 1368767.317 1266256.387 1078384.925 622562.5396 1375675.962 1676571.877 1228186.87 1188244.842 699493.0025 1010829.23 865217.8833 1445523.559 LPI 10:0 373762.4786 2156092.892 1922638.986 870119.0415 438427.4257 449565.0626 409556.0105 441913.4857 388955.689 481203.2282 1804649.659 303521.3978 433496.7494 487706.1141 LPI 18:5 744077.7845 501061.9001 966567.0631 955542.6997 823488.3874 254469.2686 1490069.806 846013.2805 425710.0379 920945.2401 206209.2521 984587.5316 216283.7823 277212.819 L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)- 63257.15567 31727.4123 42033.36072 39952.56417 49579.26049 50029.95123 55855.86226 39457.13434 37856.47008 32907.55341 51467.30507 50359.14631 31087.80951 28737.6136 LPS 22:1 2492313.634 1153410.243 4495164.763 3954022.374 4780585.758 3443749.758 2401755.858 1833840.838 7683827.202 6073070.654 5076342.904 2952087.322 3911127.356 3821546.912 LPS 3:0 2178066.362 1121914.224 3317987.509 2380276.374 2882335.375 1903056.557 2751210.67 1635337.921 2842348.116 2475719.992 1978590.352 1757659.215 1957951.619 2214727.577 L-Quinate 64585.71282 128716.7211 82859.33839 81967.24178 215715.7388 376616.5807 240424.0306 198401.7323 1220816.094 86566.23446 88574.32994 570688.0534 1217532.501 936540.2878 L-Serine 118194499.4 83782739.84 106246553.5 85833234.45 250020116.6 213646746.7 185793444.7 136010607.3 148052403.2 130143798.1 144325503.1 165867369.8 79898313.68 71166231.47 LSM-3627 1881848.424 539137.1521 1027989.496 303599.3815 1313381.989 343063.7106 329148.5129 333312.107 375246.5735 359898.9322 372309.4335 447443.1147 347181.5126 340262.8486 L-Threonic acid 18707100.24 15815027.7 17490674.89 4918793.707 2394193.169 4243607.561 3213146.843 4519149.329 4081492.81 3736585.973 2692851.317 822028.2197 4545991.97 4166275.059 L-threo-sphinganine 2795093.327 2359393.867 4183654.087 1668178.575 2189257.921 2548503.029 2196248.453 2797922.999 3469683.674 2629082.714 2145004.978 555569.2145 2347870.013 2207836.369 L-Tryptophan 444135.8262 224986.8452 342528.5978 492074.87 246206.4217 255894.5214 258810.8128 296669.5564 223461.8806 240984.1855 314523.2038 362216.115 281687.4785 256214.8237 L-Tyrosine 75283031.72 45025795.81 54761318.37 42002173.5 60136598.48 43474714.73 78518659.7 51601680.44 60017288.34 67525209.96 60484824.1 75061877.15 34288930.41 43649842.01 Lumogallion 1037245.888 10385852.45 7567760.059 11915449.48 37215025.02 20649316.61 78192078.16 42649893.54 52401073.85 60594408.66 89995618 125869461 15497263.37 24962998.25 LysoPC(16:0/0:0) 303975.5771 121067.1008 674266.7495 1113675.993 90367.85045 351426.5302 84526.75759 65353.08318 1240617.382 471143.2906 589389.1778 91323.33273 700645.8949 286238.0316 LysoPC(18:3(6Z,9Z,12Z)/0:0) 1871079.095 2052235.559 1151627.073 2092577.834 4792764.766 4267959.64 3787677.736 2450757.812 3430289.209 3398920.1 3377153.48 4746331.263 4531681.271 5642035.534 LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 952403.5958 507909.5964 793878.1489 1510177.34 941641.9684 632893.3997 458421.0762 401882.4017 1857696.821 582139.9188 1313619.641 639507.0338 1051262.208 1249665.99 LysoPI(20:4(5Z,8Z,11Z,14Z)/0:0) 55201.21722 61156.53243 548504.9052 156589.8134 442291.7156 83544.38926 273567.4174 55302.86018 125938.7873 61243.85462 241773.3078 273569.8711 128238.5474 124223.2043 LysoPS(18:2(9Z,12Z)/0:0) 87714.3539 35609.95807 63914.82322 47791.93955 132160.7699 43503.18995 69050.09153 41592.32821 43781.53647 45697.0386 57178.13659 103428.1857 36844.90019 36116.95016 L-β-Leucine 3079599.623 13418197.16 5726874.969 6675128.048 6816020.843 10672620 5601224.594 17346541.44 21813559.13 42183262.31 10585699.67 9740024.602 59808651.82 52898601.4 Maculin 2628169.145 826986.5466 9144715.113 9674288.388 9688611.243 1428408.842 970173.1445 1394402.048 2186870.68 5434971.014 470291.0978 513601.7718 1372759.834 1786825.463 makaluvamine P 2873925.778 2621919.22 1975384.428 1926317.015 2358133.675 1477226.107 3576810.2 1603890.416 1874326.362 2268787.709 1943493.301 4001274.104 2754883.927 916647.3896 Maleamate 24850098.96 19271574.91 37877249.61 28330271.94 51428971.31 35698202.55 48065435.86 32559384.99 39787956.13 32765616.07 40578075.27 46577148.12 19180463.66 22610850.58 Maleimide 2915532.502 2744488.766 2598467.681 2516951.192 2445400.49 2732276.844 3205617.367 2716243.45 2825606.318 2878847.559 1669840.793 2360703.883 2105973.078 1943300.515 Malic acid 1431692827 689319548 355099088.4 602086120 2010580144 1644536802 1733858335 1507965327 1910876141 1932278744 1946188857 2045192660 1448597889 1466712411 Malononitrile 7921634.481 6578888.105 7187121.967 7269258.707 10802891.97 9451330.564 9489240.497 8988026.796 11648400.48 9695575.809 8166179.014 9850073.591 9211871.293 9997995.246 malonyl-CoA methyl ester 14529505.32 17718005.85 19394981.86 15921945.66 25085324.88 33419804.15 43615561.57 31446431.06 23583665.74 30876908.95 25022343.63 28967947.04 23979642.53 26671661.65 Malonyldaidzin 31828.77126 28400.96547 29957.92834 30965.0304 48500.79697 43637.9247 39756.21746 47219.77886 40808.80596 44232.00109 43952.85913 41298.57852 37088.28682 34638.12654 Maltitol 5356059.103 5353579.328 2052594.301 2854604.364 545140.4776 2827039.167 484451.4015 414506.4432 527347.6733 471088.4465 688614.986 976577.6469 428383.8921 485743.2833 m-chlorophenylpiperazine (m-CPP) 255196.2768 151460.2396 237363.9986 165724.2903 308285.314 230281.1968 305337.9767 205289.2542 208244.5225 190922.5359 269336.6837 336238.5043 119833.9105 165274.6586 Megazol 30261.92925 30077.89848 25503.52834 30461.15931 631261.7753 123201.7913 257310.0395 221395.849 850216.9777 871631.007 200092.974 970279.9036 142656.2574 919052.0909 MERCARPHON 1923455.469 1612840.293 2527738.641 2140878.873 5416715.206 4721498.901 5695503.19 6765978.086 6278267.374 9313180.132 10099624.28 7921189.499 5586752.893 6465015.55 Mesaconate 1424586.274 1502952.936 1452536.668 1434332.253 1613192.082 2283970.084 1680807.977 2184403.261 1749567.886 4181190.289 1742150.165 4056759.701 2182262.902 2803550.496 Mesaconic acid 56038713.94 32844503.26 22588663.69 30239364.46 68731077.18 48372676.25 57985817.75 44232345.47 67752020.62 57315512.81 50063482.27 54396920.53 43279358.98 43749641.47 meso-Diaminopimelate 557007.2246 416671.7112 799003.0859 627517.8931 596317.8187 529483.3138 440108.2888 484073.1697 554451.9672 515119.8218 720346.068 802711.3644 594190.6516 621270.9503 Me-SPA6C 1142883.992 585152.6916 479628.2401 698839.4879 656549.7554 1868981.899 246768.2439 617458.4735 1065740.024 292275.2633 566113.5512 586043.8983 340071.691 352322.7237 Metanephrine sulfate 1267119.782 626409.9709 598395.5991 3279135.066 4582857.851 3235104.834 4692055.284 6067893.596 8055463.37 7215545.111 5878306.612 4427074.208 4538115.954 825080.1664 Metaphosphoric acid 55132245.69 52726526.28 111618575.8 213805482.9 678231371 974661234.8 1043695358 137135246.1 1346472291 944010612 1078913671 1299549447 103588732.8 88577150.12 Methacrifos 2478585.431 2223281.065 2440698.591 2334698.971 2598936.097 2448168.99 2674670.657 2448837.447 3005451.239 5393525.536 2926934.424 3188197.199 4513923.889 3674499.391 Methanesulfonic acid 48080.94251 2898124.71 64808.88032 71334.11493 123768.2296 87952.40429 91235.42663 157630.7034 149443.485 116530.5378 76508.54981 87396.06418 100676.8209 396075.5629 Methanethiosulfonate 38048.10883 34146.53737 32164.12966 37972.57318 26460.76702 26715.68794 25358.4786 24741.63481 26690.08815 26812.28734 24099.97829 25184.99077 24816.91926 25404.71917 METHANETRICARBALDEHYDE 75889515.93 60737422.9 156146465.9 112510010.4 54109511.71 38398075.23 22027180.61 20082141.71 55251156.93 60820854.07 30602000.78 27527798.66 26519484.01 27378223.22 Methionine-methyl-13C-methyl-d3 532019.4679 486050.0313 677451.5665 680524.014 976379.3591 638335.8533 751819.999 846820.595 906223.894 787255.3786 1106122.979 1009281.231 989202.3532 718312.5932 methyl (Z)-6-(3,7-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-6-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)hex-5-enoate 2637972.557 600026.2172 942609.3422 2333603.911 69895768 10647492.94 804882.5733 596161.8656 4776901.962 587712.2843 54888344.29 57568161.26 1062853.874 3487503.153 Methyl 1-propene-1-sulfenoselenoate 1006925.164 2032954.271 1059594.346 2453337.582 1579401.412 1711890.225 1952501.162 2078205.402 1901648.763 1995635.484 3292242.578 1161589.063 3018685.376 1350834.378 methyl 2-[4-ethenyl-2,6-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoate 32237527.04 26089507.71 20835351.94 29989704.96 22065554.98 22846452.39 21645176.59 19162691.51 18178331.53 19724641.69 16983343.78 22788262.46 13233868.93 16888312.97 Methyl 2-amino-3-(4-chlorophenyl)propanoate 63152.64113 49995.59101 147582.8531 200776.4059 173925.4218 211023.6896 91906.23693 231652.2739 310982.5627 802068.4813 127296.7666 278454.7349 177518.0641 187898.1135 Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside 493587.6803 168222.8802 138778.2016 240231.3415 1926128.055 578217.4651 504586.5167 799832.4495 1458766.852 1839112.187 2114103.484 3702453.58 430127.955 522769.1143 Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 220608.0047 137058.519 733630.2035 167719.7017 126452.9637 45148.04494 110333.4822 44601.66832 271288.94 137645.5187 535869.7969 208498.7821 397311.7786 170576.5585 METHYL DIBROMOPYRUVATE 226426.4706 162256.8933 215961.8439 178230.271 110529.525 83858.05255 152172.089 106928.9669 150263.4324 129099.9189 167473.3448 238084.6203 112318.0619 131324.2328 Methyl dioxindole-3-acetate 3612440.577 6304741.334 4185660.621 4302007.916 2564762.03 3485631.782 2676572.125 4297513.027 3512783.966 3252367.099 2732645.296 860633.3755 5589614.08 5605325.166 Methyl isocyanate 8633791.499 6909740.845 6701413.008 11268537.36 17259996.48 16015894.54 16601739.55 15245243.64 12548472.84 12729324.05 14785078.89 16312743.46 14424223.09 11966106.43 Methyl L-leucinate 1271998.781 3530503.334 1250043.794 1172024.378 1294457.948 4606256.603 1309080.008 7463250.965 9064763.575 13967951.5 4263281.101 3562651.672 23572072.69 19757323.56 Methylcysteine sulfoxide 50323.08575 42140.06259 53329.35596 49545.58823 511643.3381 313500.0585 58530.8852 264231.9569 497340.5306 284507.0006 579237.9945 155856.4368 299975.2367 394201.3581 Methylglutamic acid 90084.37012 98299.20711 85830.94721 82599.50707 128890.954 109644.3877 128256.9079 163260.86 124143.6842 157385.287 191391.6304 126758.5543 108600.3748 108587.5922 Methylguanidine 159278.2105 151334.5632 479997.7076 161020.0958 158929.7857 150265.0729 219939.8923 172180.163 261452.7319 140070.3379 214645.0674 128869.4069 141926.2169 158580.3922 Methylimidazoleacetaldehyde 1457360.205 1142960.807 820152.115 1048675.154 448655.4322 240088.2767 1203633.29 1169644.509 758717.3358 1226281.009 916790.6396 1341372 529241.3788 461537.8537 Methylimidazoleaceticacid 41593.5129 35271.98381 36116.76121 47436.23226 64248.1181 56478.91967 54099.49774 57791.78509 48171.50981 53565.88147 53985.99325 50170.99953 55362.551 51365.82585 Methylmalonic acid 164592460.3 103580309 188818354.5 153470679.5 134325429 104436447.6 123725224.2 115622197 135160406.8 128947456.5 109182117.9 102577901.3 130880842.2 148085733.6 METHYLMALONIC ACID BIS(TRIMETHYLSILYL) ESTER 30094.89563 68141.56485 143158.7261 53296.13443 117328.9253 132132.4745 221209.9462 122445.7494 82223.35637 94411.06971 602578.101 95961.99475 167361.2618 86216.54193 Methylprednisolone hemisuccinate 6700254.165 1906741.556 4604902.418 7781502.118 137829939.8 20360622.09 3771305.226 2611238.636 8773362.103 1773883.926 154596880.1 39192688.62 4668253.911 7758435.044 Methylpyrogallol sulfate 3 117259.1279 169836.1627 125013.5582 125154.5258 301347.7667 257043.7307 390925.4052 366170.7857 267988.82 299139.1142 173389.1539 227888.3883 179837.4131 484250.277 Methylselenopyruvate 25982654.3 21110572.81 21018844.62 27339139.53 26300293.35 20956752.72 27579086.8 21859657.73 31789653.41 24439935.93 32501879.27 27645124.37 26445277.09 27487079.68 Methylthiouracil 1691171.127 1727581.996 2716015.285 1186745.198 726842.8062 649456.702 870712.1659 476812.5299 687686.5215 591054.2981 918845.3455 777975.4136 464000.3055 543518.3675 Metronidazole 453787.0304 428807.0843 432112.611 444370.8719 564478.4386 275246.1108 503684.957 592387.7548 474713.5243 768623.4598 572342.9646 531402.6555 500680.9851 469827.0691 metsulfovax 21986193.52 21510154.33 19745107.55 34583396.94 56856842.21 54497767.47 22050001.6 41440674.17 40258895.98 30056014.66 38482619.15 37223817.65 10267144.42 9539501.274 Mevalonic acid 241973.6192 255340.6852 294836.8294 296374.946 361807.5224 334900.1839 321316.1115 325380.629 366317.2251 351334.7955 363449.9771 349504.7752 338919.9989 332165.9711 Mevalonic acid-5P 4070785.003 3449236.172 2865210.158 2268128.785 2966780.866 3549914.803 3024058.291 3056701.238 1871878.399 1287471.925 2130108.919 501960.1393 2471167.349 1748996.207 MFCD12974029 185696.2784 49547.93533 159167.1349 137827.1306 58129.05906 62538.37709 333749.5849 61868.1972 59231.44932 57114.46166 57174.16031 67230.80156 47616.0699 87303.96651 MG 11:0 8004447.094 4365586.093 7019053.342 5850818.61 8528729.662 10767412.58 10391740.06 7645262.034 8673551.998 6670452.728 8397805.013 9421655.586 5630886.501 4401365.924 MG 20:0 235265.1542 52946.15082 348595.2259 521747.2739 596831.017 543038.3801 396774.9254 296465.2559 721603.8035 179710.5088 1090558.001 755660.3049 349496.4651 212570.6757 MG 21:0 125583.7692 41441.82955 226069.0237 410123.0931 501060.6483 428951.5151 382985.5399 167643.5741 555849.091 178179.735 820633.2768 582099.1232 329221.5429 128286.2945 MGDG 34:6 7849280.388 6060611.826 5483848.304 7677100.831 10395859.63 11731597.63 9774424.154 33660649.42 29543988.72 8433709.789 2146990.467 14902259.84 8035813.606 14979139.05 Mibefradil 95307.63445 78501.53964 115590.4142 188392.5402 82504.98168 76268.96098 74607.63363 80693.45148 79661.03059 80879.10216 84656.27096 95298.6853 68312.71973 61642.85637 Microsphaerone C_120103 2427391.92 813750.3321 1233377.682 891102.5699 1000760.315 1478502.356 1349447.469 1069296.152 1172062.241 589420.3717 1429033.37 1033976.413 1080579.639 599173.2153 Miltefosine 1192758.243 1837943.693 575098.4941 2074365.867 813464.4798 1661660.702 1656964.407 1037395.444 1146560.172 1738356.316 2012661.113 2247731.292 517253.4485 722458.6515 Mivebresib 1134739.719 1066077.499 1099665.696 1031031.88 1243183.119 1145953.159 1305782.545 1441119.804 1248400.264 1499593.713 1334329.943 759372.1751 6183200.295 4728340.902 MLCL 18:1_22:3_36:4 1600949.529 8790644.593 4422008.561 303291.5661 4469645.115 4457087.564 2888700.715 4583311.356 5131423.382 8172864.361 4868244.458 3510439.64 6997364.863 2389239.487 MMV007471 2484662.26 1403323.444 812735.4106 2680356.606 2550317.577 2963344.367 2822228.136 1980618.677 4512570.722 4380358.341 1187110.699 2916965.789 6471590.21 6655277.814 MMV020623 2716706.811 987289.2633 3938043.777 2408639.801 2400008.841 1569158.024 2839997.986 1293222.095 1797193.839 1462311.946 1663407.62 2880719.973 312006.7883 822653.3296 MMV022478 256964.6281 199121.1235 356256.8118 313658.4012 343638.8035 292120.4193 492596.9512 262167.0151 786082.547 614868.6444 406145.1784 427747.6451 332919.4326 368793.0735 MMV099637 176263.8086 86299.14119 160021.6083 606626.9972 524013.4901 123267.075 277260.7994 734676.268 1231244.337 391280.4536 163688.7184 343612.7838 58741.48903 65803.52877 MMV393995 72381.31261 68462.29595 67754.05927 67153.75127 108893.7052 120519.0318 97595.95656 92665.22602 104323.6456 80608.32771 82104.22278 106712.4615 91081.85362 89865.97051 MMV688270 263643.3556 598777.9449 879059.1447 590205.0732 248388.014 154466.7668 91262.55092 674029.3419 848451.1544 226589.24 568308.3155 478581.1514 290480.5451 219299.1359 Monoacetyldapsone hydroxylamine 721237.778 730683.1037 674332.6361 1030487.921 413946.8058 306818.9865 624403.5052 1136032.837 753800.2353 707337.9569 929327.6906 2002692.245 200374.675 192929.3076 Muroctasin 4295087.281 3212668.553 4603626.057 11415393.84 21105751.45 13760665.57 4574307.689 3898616.832 13730790.17 7217998.842 17107342.74 6254983.639 3806297.053 5706204.582 Myristic Acid 45452240.39 24643349.45 31423286.78 48370531.38 69254286.32 41014647.3 40273667.65 44074432.03 71735438.65 56746443.29 89066783.74 77695363.55 69318725.29 42348612.84 N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMIDE 194663.4785 186878.7946 171973.2648 229362.8077 278584.8757 238890.016 241140.9233 289084.9963 230520.7737 319183.1639 363637.4274 228007.6025 215656.1811 215116.2368 N-(2,3,4-Trihydroxybutyl)-L-valine 30668268.58 22783133.08 31551598.87 26330040.41 27772349.11 20009911.98 26264809.53 18902325.44 28514942.82 23655282.2 22781454.63 22201524.91 17447380.29 21502641.8 N(3)-(4-Methoxyfumaroyl)-2,3-diaminopropionic acid 523232.5138 510908.8037 638925.322 661345.4642 1476166.33 682905.102 953365.4368 628279.5181 1149282.401 977288.4453 862953.1531 872923.5117 717186.5262 827429.786 N-(3,4-DICHLOROPHENYLCARBAMOYL)-2-PYRROLIDONE 1436267935 910223409.4 2221404137 1595942203 1511551351 1006697218 3268476054 1654534454 1552940371 1905861275 1483344067 2641470048 868014554.8 1105249744 N-(3,5-Dichloro-4-hydroxyphenyl)-2-hydroxybenzamide 495484.3732 507213.7872 517485.6689 529666.7217 557958.0436 557501.3474 564077.5729 560655.3328 573496.5185 570335.9687 551619.8812 540975.3742 541450.5571 555853.7186 N-(4-(2,5-Dihydro-5-oxo-3-furanyl)phenyl)-4-(beta-D-glucopyranosyloxy)benzamide 46792234 18276505.93 33487620.96 19348715.62 6720090.956 7932423.588 1491862.072 3658711.428 4515790.672 3163624.148 3114798.67 2070008.972 4249263.876 3304941.826 N-(4-Methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)benzenecarboximidic acid 20212000.83 8512539.176 16501513.35 12246767.15 33802156.03 20227109.83 133236.2419 6919919.765 24260622.43 19441458.42 19813863.68 1791839.178 10379035.92 12214568.89 N-(4-Pyridinyl)-1H-indol-1-amine 12239105.14 5004862.604 12384424.42 12977997.09 11570765.75 13472308.07 9880974.621 12745860.81 13724733.9 9932150.36 21076174.82 17723200.24 7702531.338 7787872.938 N-(6-Aminohexanoyl)-6-aminohexanoate 1213206.567 501806.3576 1118545.835 930744.9804 1185186.661 945493.2984 1551474.836 1182298.293 1161383.761 801518.7267 1793941.189 1443108.152 328093.4744 309791.7355 N(omega)-(ADP-D-ribosyl)-L-arginine 3674307.324 2126683.868 1680908.066 1757613.501 2495400.113 2244343.067 7042360.071 7489399.428 3974311.448 4914245.445 1871671.947 6344208.425 2932624.906 3621823.471 N,4-Dinitroso-N-methylaniline 866752.3956 454124.0039 894785.4914 485212.3186 1055455.959 264033.7525 874117.2545 826885.4369 681567.8805 1293552.33 1507971.72 1131581.098 829652.8681 727387.8682 N,N-Bis(2-chloroethyl)aniline 5733593.752 2550990.274 6265454.257 4106399.316 568462.0925 2542879.015 1446365.019 433052.6827 467870.2623 453115.4774 600562.6206 623087.8644 511923.6852 537210.4118 N,N'-Diacetylhydrazine 46798.22365 37404.6852 103383.8712 71994.72136 111748.1481 131739.0274 247933.9647 135545.9304 145816.2381 134151.4235 167104.5046 232189.0723 196436.7019 167596.5446 N-[4-Chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide 32251841.35 48021736.82 30193334.59 44107488.8 124736136.4 137778370.6 57035365.44 81029079.33 107700953.8 101415938 103309468.7 108889061.1 99161289.21 81471020.73 N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid 7614706.556 14653966.83 8694146.971 9167512.848 4809972.879 7375868.29 5366327.753 9190935.771 7479410.058 4690895.28 6943653.645 702553.3551 11959457.45 10529716.87 N1-[5-(4-fluoroanilino)penta-2,4-dienylidene]-4-fluoroaniline hydrochloride 122759.9313 121294.8591 226538.3745 1520505.124 279070.453 234261.3491 2501866.731 336069.6644 255347.3472 357837.5163 884903.3599 176650.1172 480007.9776 727920.6588 N1-Acetylspermidine 1076613.174 3357071.029 1429040.83 1771680.14 1570452.816 3190724.588 1248929.058 2934196.525 3661447.299 1942230.278 4513996.679 1411385.42 3855601.566 3649600.934 N1-Methyl-2-pyridone-5-carboxamide 595642.514 486766.2847 3977319.997 3227734.664 2600843.568 1328937.154 363934.0531 298214.5857 781189.9667 463369.3146 686073.3731 1044962.106 582735.7267 672757.8337 N2-(D-1-Carboxyethyl)-L-lysine 601183.3323 351619.134 877513.0728 744486.4956 214674.647 363481.9317 555696.6763 616179.1718 637259.963 589124.5862 824679.7103 424773.6484 447041.9546 525572.0829 N2-2-Naphthylamine-guanine 1256923.894 775518.5894 868556.9046 591509.124 1144991.85 956737.8042 916048.2868 560650.9776 655530.8471 621175.5317 622200.9321 1052806.567 526011.1067 293145.6089 N2-3-(Pyrrolidin-2-yl)pyridine-guanine 1336962.49 1142830.533 1166397.646 910757.5566 1180889.27 1437861.984 1461560.796 1462586.308 1359964.264 1211364.756 1333569.856 1486874.713 480007.9776 975346.4742 N2-gamma-Glutamylglutamine 3716847.981 1059037.527 3455901.537 3163721.688 3977282.962 3664440.154 1653249.929 2098232.11 3886228.167 4155029.437 2657640.941 2973158.453 1480871.601 2172180.79 N4-(Acetyl-beta-D-glucosaminyl)asparagine 828607.5905 160040.4967 733963.3333 605912.6559 133883.8018 106574.6021 626524.5204 103513.0731 130132.4564 113417.4242 105296.2215 699773.4456 83239.8833 155714.3414 N4-Phosphoagmatine 4404078.496 4486828.01 2749726.43 5419321.901 1823733.974 2785424.271 2613818.306 1157384.195 731810.9657 1007030.568 573599.4304 1002279.85 1244484.935 392078.5958 N5-Methylglutamine 6141847.017 4312839.948 3099962.612 2674776.91 1816608.591 2328547.248 761424.8549 950626.0863 949182.71 673149.2633 2266874.939 1824611.078 1274786.974 1541770.002 N6-(1-Methoxy-3-indolylmethyl)-adenine 574001.1487 239616.5533 372990.9886 348510.0111 408755.5301 363553.6181 627541.3728 183003.201 818741.6963 222812.9025 398511.9425 892902.0355 150039.4157 155002.8585 N6-Pyridyl-pyrrolidinyl-adenine 4433851.842 2686591.175 2990392.809 2928107.349 3935571.165 2693762.807 3226364.547 2794438.593 3750510.481 3066448.286 3168154.377 3905796.242 2759078.385 2323921.183 N-a-Acetyl-L-arginine 621150.4036 578274.0837 826916.7347 700953.0063 2505840.556 1523764.6 4978338.912 735262.9982 2504137.3 1369049.053 1896987.289 1103446.551 1620162.044 669113.2247 Naadph 2355823.495 2374418.069 3079743.519 1660058.808 342789.0323 337181.9997 360492.7505 314042.7677 316171.9516 340673.8011 379275.6706 333410.2385 398006.7368 405794.4704 N-acetyl zonisamide 16664619.74 18545060.19 15225029.41 14335048.13 52660977.99 51519227.89 54514879.73 41950000.97 61863337.54 31890842.03 41671405.22 42638223.34 34839660.92 44049920.4 N-Acetyl-1-aspartylglutamic acid 36583847.42 19700695.07 109526924.2 90055604.5 31548960.68 53226477.75 29526628.6 139952211.4 88335125.19 50554723.76 85028748.11 118317669 20179407.98 23435277.69 N-acetyl-2-carboxy Benzenesulfonamide 2901516.763 2694003.319 2635200.134 3159282.629 7655643.868 6368813.584 4314535.391 7492941.326 8756841.766 8598790.767 8803896.696 2995723.153 5195512.496 5651840.631 N-Acetyl-6-O-L-fucosyl-D-glucosamine 2340580.227 10430187.08 1872578.189 2277561.978 2492292.597 2271531.922 2349149.541 4365074.106 3073792.193 2983054.134 14179660.59 3312464.126 8672338.635 10637950.03 N-Acetylaspartylglutamicacid 9639779.66 5105456.625 15274349.47 18828400.99 22204370.94 11285878.38 16872048.09 9166129.5 10702917.04 20754738.82 25770695.86 27653797.63 8535116.935 19281733.21 N-Acetylcochinol-O-phosphate 2098797.304 1928287.457 1404310.309 3446924.581 438739.6242 441156.3652 488324.9231 471970.1897 453800.364 435281.4181 475039.4102 450092.5422 404250.7446 419653.3806 N-Acetyl-D-galactosamine 1-phosphate 1022870.491 2121678.412 1741501.196 1053969.285 2609756.198 2965953.091 539184.6775 994329.6196 2041426.586 1315369.256 2375588.268 2221826.614 3493784.774 1595177.963 N-Acetyl-D-glucosamine 407220.7819 389181.7552 511581.3317 506996.9574 611103.1215 520198.9168 502379.3837 522338.3745 592865.0824 639228.7561 657349.4534 664944.315 546312.5886 630289.7388 N-Acetyl-D-glucosaminyldiphosphodolichol 1751182.163 1391105.664 2206048.564 1589002.456 1558347.993 1131045.682 1909940.213 1307530.307 1747694.158 1664222.126 1995717.276 2507859.147 627796.0288 1029341.29 N-Acetyl-D-lactosamine 443315.0449 145991.3779 220464.9329 102065.9472 801244.2678 450943.634 485677.488 740179.9226 535489.9126 435633.1973 539732.3289 525748.7187 435887.81 562714.4797 N-Acetylglucosaminitol 2542267.599 2573139.814 2447977.303 2474388.274 2811596.697 2979131.861 2864197.572 2929572.217 3478203.885 3700272.922 2913548.217 3128133.461 7976484.018 5952837.169 N-Acetylglucosaminyl-diphosphodolichol 40958.70299 32920.65899 42854.99511 38546.33118 59659.90143 44835.57805 46896.73601 44590.68041 49967.45617 50565.75948 53882.44445 50745.2248 40852.20149 43415.49377 N-Acetylglutamine 76847.51355 100597.9303 115460.67 107463.5744 227090.3904 242859.2425 252241.8705 284042.7657 246350.4133 292123.5001 275337.344 272228.3294 296088.4953 318975.1953 N-acetylglutamyl-phosphate 3493153.057 5434244.254 4177424.928 5811220.201 7794161.762 8002041.663 8817324.204 9195031.633 8717727.98 7309467.536 9169126.038 8363796.916 9125191.393 10264223.34 N-Acetyl-L-aspartic acid 9413973.049 6462864.696 10034733.34 11753881.55 4745102.328 7118503.404 2809970.256 10247182.32 10197194.94 4949025.876 9443666.431 8793341.885 3959532.763 2902591.607 N-Acetyl-L-glutamate 5-semialdehyde 126712.3335 114152.59 109744.6268 106559.0348 177583.9317 159935.2882 179688.9123 139998.1714 179145.1857 130546.2858 136147.3257 176064.6284 151209.8055 151859.3971 N-Acetyl-L-methionine 1990017.417 1097456.026 2803114.827 1806575.612 4882062.312 3388403.395 2554375.17 1876669.646 3198194.975 3234897.614 3624337.126 4749539.872 1392461.621 1626099.595 N-Acetyl-L-phenylalanyl-3,5-diiodo-L-tyrosine 222465.644 261246.8167 232322.8081 231990.1522 275896.6543 289074.9313 275913.0765 687890.318 281118.3789 2295946.497 292848.5821 2013836.472 2369638.486 3333575.108 N-Acetyl-L-serine 829638.2665 802362.1729 818800.2212 848942.4123 932809.703 995657.9683 983170.1794 989294.116 928632.5614 973010.9609 652443.4118 1023050.783 702868.65 940239.712 N-Acetylneuraminic acid 70726.93774 45685.7973 87018.39624 129316.7155 165302.1166 269696.9072 50573.20891 231138.0075 81603.8121 282154.3352 111114.3042 65180.64409 44191.65436 32887.05647 N-Acetylneuraminic acid 9-phosphate 22744361.36 20639382.17 23419572.93 26057673.59 27933850.94 27509345.07 21939025.92 19607771.66 21525117.1 22350178.53 19053582.05 15513625.18 21838768.04 17401732.4 N-Acetyl-S-(2-carbamoyl-2-hydroxyethyl)-L-cysteine 1627092.274 2957974.734 2265301.566 2394042.334 269729.9463 228605.681 269521.5238 202197.9157 257465.7994 245803.7827 321040.9994 349007.9379 200967.6725 218975.168 N-Acetyl-S-(3-hydroxypropyl)cysteine 102597.8087 70235.55574 110467.9083 116115.7066 141841.8573 118068.534 115315.7969 96744.24835 115340.5344 90434.6237 102875.4955 131865.91 66267.13512 66789.40838 N-Acetylserotonin sulfate 641636.1151 3388761.828 1261782.384 1430151.857 2067017.99 2925638.372 1790928.848 2604533.591 2204528.053 1968440.619 5188894.034 3057365.449 3761413.724 5018399.52 N-Acetyl-serylaspartic acid 1947552.717 1492208.707 2886985.411 2808203.962 4213467.431 2766739.365 248859.6869 1929902.504 3195116.664 2911110.465 2817152.487 3176509.215 1652244.643 2040016.882 N-Acetylsphinganine 546576.5713 181861.2105 475503.7458 1088458.532 1361339.874 1104225.808 713390.639 321369.6106 1465832.677 330422.9506 1516241.881 1059238.634 1110696.875 477232.4222 N-Acetyltaurine 380066.2475 471862.5927 250283.1202 420301.4771 350235.2657 557963.0472 415323.0245 414555.5966 1871878.399 664068.3179 2130108.919 424650.125 2538241.015 1748996.207 N-Acetyl-α-D-glucosamine 1-phosphate 558181.6513 142594.6796 93974.53399 71470.67075 768927.9334 263315.3496 82578.7609 607529.3291 392037.2403 275363.6412 544064.9947 260042.228 512351.0904 410176.8092 N-Acetyl-β-neuraminate 229198.4237 181799.4196 238724.6513 223382.0909 281667.5955 239579.1271 320770.3036 234217.403 290772.2025 258719.5006 286647.6935 306687.5459 206286.9493 207437.7689 nacubactam 8642412.358 1869400.901 7103240.274 4208317.377 1586019.908 1236599.736 342866.8496 581268.6201 273112.741 200229.755 122801.1007 138109.0321 96449.5659 124289.3812 NAD 47178568.2 34189650.12 39908452.47 32013332.49 26400526.21 16099817.03 17029065.22 21162189.55 22112960.23 41026333.5 13745469.06 13460416.95 8185010.772 13973797.69 NADH 775637.9732 667819.7279 1929785.053 1389524.887 826430.1383 732819.2037 609869.3166 669970.3382 767376.4943 712939.743 996978.4094 1054722.74 822375.9066 859855.7711 NADP 207048.9975 377542.2825 296481.6169 614389.1657 962051.9101 223072.0391 3924039.393 410449.3442 2590269.199 3163161.932 246458.2326 564878.8616 209527.5987 444613.8847 NADPH 3819942.19 4565438.242 3562447.252 3525283.928 2681098.663 1947790.753 2164173.901 2872048.167 2469921.564 4426587.519 1603855.307 1901335.724 1130444.483 1748239.304 NAGly 26:7/14:0 3200755.072 1627504.171 4647998.987 3115455.321 2695739.934 832947.8759 2969223.574 1412573.132 2655991.38 1689480.285 2003146.119 516135.1615 1001923.268 1427826.086 NALOXONE HYDROCHLORIDE 1667044.178 864468.6729 2997563.11 2456088.401 4877668.125 2539667.181 1500973.047 2240540.582 5469396.36 5568306.764 2235427.022 1926292.21 4124363.449 6609200.781 NAOrn 13:1/10:0 1348913.625 2609528.027 1486865.821 1499057.737 1357115.749 1744488.43 2155261.005 2138304.075 2805566.485 1672401.072 3358462.203 675139.2768 2727067.857 2235715.79 NAOrn 26:7/17:1 511478.4491 179424.7193 499326.596 957526.2203 2375150.472 1046971.755 334976.8412 295101.635 1264667.216 741295.1132 1454295.492 916985.9334 323685.3998 530722.4342 N-Arachidonoylglycine 5905440.574 3270360.311 6042331.789 6520805.558 6199013.037 3082988.335 7132570.552 3725552.822 5780452.1 4284747.964 5771040.157 895500.2564 2542227.208 2241752.367 N-carbamoylglutamic Acid 311671.7078 319456.7778 380778.7332 368551.5562 370083.8353 411591.9333 415062.2066 383013.7925 399230.6155 393042.3224 389491.0055 375823.0503 399031.9831 412695.2149 N-Carbamoyl-L-aspartate 175697.1939 234106.2931 203368.3592 199278.9788 227125.2219 169116.2706 173436.5987 384626.6153 214120.0999 357525.3246 309655.828 278239.8399 205295.4033 167230.8179 NCGC00380218-01!(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol [IIN-based: Match] 117501.4288 163645.6276 145294.9891 65358.45703 201468.2605 458282.3898 305816.2753 141994.5882 165689.8961 111667.9621 217482.0542 207413.2509 46333.1317 109425.0467 NCGC00380969-01_C11H7ClN2O_3-(4-Chloro-1,3-oxazol-5-yl)-1H-indole 631812.134 320942.3263 1015199.89 784349.2429 3232979.443 2238368.972 683068.2126 640775.5164 505011.7246 462335.3042 631681.8601 859401.5542 356715.4542 278058.3003 NCGC00381203-01_C31H46N4O7_2H-Pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone, 3-(7,8-dihydroxy-6-oxooctyl)octahydro-9-(1-methylpropyl)-6-(phenylmethyl)- 381023.3323 133334.399 534202.3086 1088797.555 852661.7811 892886.3402 451370.3865 459974.5683 782181.2951 313009.9264 1437222.364 995257.818 760503.7295 413946.8336 NCGC00385419-01_C19H24O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy-, methyl ester 153914.727 140005.7765 200184.8569 166008.9646 200268.5748 176841.4474 171580.7046 156849.8834 212554.992 181809.1268 269884.6114 278951.7151 160118.5337 158507.3781 NCGC00385789-01_C26H42O9_5,6,16-Trihydroxygrayanotox-10-en-3-yl hexopyranoside 1781264.597 243824.8057 1567048.937 1976153.579 686127.7651 296832.9014 854969.1927 439146.396 1904088.677 665867.3919 120082.3913 1888557.593 139252.8869 138228.8692 N-Desmethyl tapentadol 57704.82823 52946.32281 51668.01005 51521.42534 83821.58477 1482349.006 110149.8864 67580.51979 160931.4275 58492.86005 56113.85324 75184.97814 72364.22124 278972.069 Neopterin 61688.68549 38000.39589 39991.7477 43065.65097 48005.26479 43719.0006 67977.69704 104984.5193 43186.6141 38015.25111 66706.89629 80726.01013 29499.63825 31495.34584 Neridronic acid 357357.4508 141319.393 47010.07028 53786.00636 62732.30873 55953.44943 165272.2658 52945.46659 45077.9965 42471.34502 57560.98458 56205.54382 87758.9358 50482.58849 Nestorone 3266328.26 2415029.781 2694999.037 2943633.554 3693915.931 3352009.509 3260016.395 2926952.271 3404563.532 3093372.426 3681820.2 443411.2288 3348396.989 3106121.578 N-Formylglycine 842617.8583 914166.5945 848183.6442 826359.7628 965429.9644 1011543.983 981797.9237 861255.8663 949324.46 495012.3522 1024748.911 714874.3911 529067.7171 587800.0675 N-Formyl-Nle-Leu-Phe 322756.0223 215090.7419 522641.2652 421354.1247 259056.5387 189784.9986 202306.6799 167395.694 227802.3503 185293.9837 165863.374 169780.8736 140647.9353 165041.7428 N-Gluconyl ethanolamine 5858572.71 21093468.14 16578932.45 24991431.49 68168091.37 62251722.53 61643937 36523643.52 64911080.27 65501754.22 75362665.57 84863454.36 50443772.08 42587139.57 N-Gluconyl ethanolamine phosphate 12687864.22 12030038.07 14338086 15791293.42 28024351.72 18827608.49 25405000.06 17353768.97 21852655.67 21486308.68 27787162.34 23598515.2 18437029.53 20839991.87 N-Glycoloylganglioside GM1 5977802.05 4568143.835 6916030.167 5108645.619 6747614.53 7008252.286 6124241.651 6761716.853 4677368.26 4864603.591 125364.7993 568356.1108 78750.65031 5217568.491 N-Glycolylneuraminic acid 276094.8023 257411.8278 369170.8559 332570.6464 370245.3016 329906.9229 365135.4668 307658.4308 412156.3155 365817.6509 423608.8453 506058.4842 294241.9299 324140.9785 N-Heptanoylsolamine 1788043.267 4663551.77 1224345.814 2131865.201 2074090.427 4874743.132 2710311.734 3311764.454 5438056.106 2324411.678 3828964.092 2144933.553 5387836.551 3964481.316 N-Hydroxy-L-isoleucine 363801.1773 361910.2052 422076.648 331995.1404 1961742.998 705816.2848 1048459.431 1142228.823 417474.4408 289806.9952 1430609.877 1181063.854 142843.9586 182722.1959 N-Hydroxy-meIQX 49885.48922 47318.34682 47406.33875 50730.71443 85462.40286 72805.19187 71962.77816 76864.68608 65036.29427 70266.91124 68853.57912 65087.05449 62958.95686 62349.27395 Nicorandil 58921.20335 53651.22399 54219.97759 115002.444 88042.38202 95549.96177 77376.07728 79275.11272 84864.88888 189661.9104 106873.2589 83045.74372 126456.7557 72848.85479 Nicotinamide 661858.0136 4207659.328 3810277.723 1616865.777 2809317.936 1742743.741 2760878.359 2085555.057 1870899.987 3397140.213 1392646.455 1721528.701 2173565.94 3795062.627 Nicotinamide ribotide 867607.9843 1557658.659 5639116.659 2252755.99 304589.1111 256088.0318 324280.0624 227625.4788 294799.9172 259017.8845 291411.6917 296396.2184 214519.4359 235016.5083 Nicotinate adenine dinucleotide phosphate 43750039.44 42311827.77 16119142.07 43679510.3 58567299.98 55415657.94 52535780.34 66791203.2 53095116.23 72376610.84 50309533.56 76743295.46 42837613.66 46698466.98 Nicotinic acid adenine dinucleotide 32803378.31 22710058.77 11147832.94 31753270.43 5565867.809 23068506.14 10355472.74 7459783.944 19369557.61 4260220.37 6957780.531 10153685.11 17558652.83 1718851.881 Niflumic Acid 6716624.148 1292044.981 11622063.33 9611214.467 3911998.261 6061045.813 4609989.748 3839209.735 6354878.423 5859287.814 3266210.165 3232195.76 3469294.766 4277695.609 Nitric oxide 782625.2585 852644.7976 803791.865 808357.3157 931660.7222 987175.7724 936453.8903 956172.5718 961160.4744 912604.8846 965443.7419 913829.5543 942239.5875 981345.633 Nitrobenzodiazepine 791078.9196 727710.4527 750667.4321 769956.8698 856192.7059 903022.0208 891696.095 897250.2609 842232.6531 1014129.975 721999.4444 927866.2096 815584.243 852759.8753 Nitrosoguvacoline 2653981.254 2525620.426 2408798.563 2540934.072 3011925.411 2327882.098 3275111.599 3063122.444 2722204.801 3082985.557 2880110.199 2988219.667 2525197.472 2497204.789 Nitrosourea 13512213.92 7866833.252 14410525.03 11793686.35 5387042.448 11210549.3 14539649.73 12732971.27 16227556.23 10272635.59 13411320.37 20387654.65 6719577.613 8245737.75 Nivacortol 5905440.574 494163.9066 5300586.884 3553174.974 6283736.477 4268677.891 7015988.689 4154388.509 5623549.328 4284747.964 168745.9212 6744562.612 2647589.254 3468221.429 N-lactoyl-Glycine 3520571.159 5198254.333 2791905.59 3250122.735 8162268.466 10519217.9 3458799.156 5845235.95 8600660.96 8299843.706 8854401.022 8653371.908 9879359.081 7004640.672 N-Lactoylphenylalanine 81935.53341 168892.2809 322765.5816 224884.1424 686156.6641 86023.42525 784070.2745 707226.5575 575131.6461 565545.2029 628852.0481 564090.2197 137210.7832 256862.9782 N-Methyl-D-aspartic acid (NMDA) 3297660564 2137420843 4280576642 3352448365 2985121832 2201821979 1324801426 1080810136 2008078270 1656728329 1859104360 1800502287 1076849693 959446883.2 N-Methylethanolaminium phosphate 670504.0686 424385.486 663726.5252 667773.7384 1516290.599 1195465.65 1092510.995 780052.7806 1086100.169 752133.4349 982292.0087 902871.796 812227.5778 644891.2875 N-Methyl-L-methionine 625372.9467 1187192.153 538300.4176 492379.7081 1645484.115 1600505.699 2151863.008 5436612.502 3320767.736 3091715.954 2080142.354 2397890.945 2307548.909 6867959.245 N-Methyl-L-proline 9906286.802 7178599.43 11474109.98 8034106.555 19741736.22 15342613.12 21508550.69 11679382.2 18300944.22 17266531.08 11813233.85 14448720.7 9034536.026 10275171.59 n-methylnicotinamide 14240567.21 9349914.142 17443082.93 12650123.14 21581660.76 18126267.21 23511040.16 24465987.66 24386060.28 19093294.23 14366368.55 16006067.21 17487732.03 19611078.61 N-Methyl-N'-nitrosoguanidine 392325.8676 369493.3797 258713.8578 469844.3397 279854.897 398227.7774 314477.369 182485.2666 567433.5932 520876.4457 111878.7777 692890.7622 415839.0534 543708.1144 N-Myristoyl Lysine 2964066.437 3192399.355 5560455.33 4423196.641 3288734.632 3366474.691 5147302.95 2866753.158 4749375.26 2824547.679 1967259.637 954359.3567 2296754.532 2379474.54 N-Nervonoyl Glutamic acid 957195.622 2590193.784 899424.4718 1545788.737 1842032.391 2497051.95 2795444.057 2717667.811 2805566.485 1848385.074 3355790.468 1957075.89 2727067.857 2680562.162 N-octanoylglutamine 1815236.425 1319560.082 2318897.432 2447662.461 4117341.139 3582646.335 2505191.418 2357184.199 3420455.796 3029046.051 3451626.624 4016521.985 2617662.246 3085221.185 n-octyl-beta-D-thioglucopyranoside 580906.6394 32051.8166 129425.7895 131171.0287 760109.6234 27781192.47 4461549.529 539399.0621 40717.94174 266571.066 820512.1499 93828.28054 53686.27723 135550.1579 Nonacosanoic acid 481987.0935 864872.4433 316427.5685 1096879.487 833486.9849 1275153.668 1164670.153 1201259.732 978906.2378 1244542.133 1935501.865 1017615.693 1676683.495 2429032.888 Nonadecanoic acid 1160935.447 602640.794 1420059.851 1278524.065 2117956.731 1466103.872 822750.5793 482468.9069 1455700.829 740375.6617 5259357.078 1199299.915 896340.626 654441.995 Nonadecanoicacid 1322153.368 804048.8043 2310608.453 957355.3179 1398443.168 3109728.246 889133.2463 564519.8577 2219400.241 536907.6125 4304113.694 4992451.063 1163776.161 637243.6334 Nonane-4_6-dione 1101331.659 790490.4026 770557.1544 420271.78 3618766.847 1547016.786 3349784.108 2372767.147 1187974.765 16346870.81 1702212.572 1475729.112 565708.5435 769860.6542 Nonanoicacid 11016844.44 509605.9486 606619.3283 644343.5617 1416486.717 21220567.71 1633731.713 22965502.98 1303118.232 1903368.526 2479517.447 4629533.838 2266004.632 2418965.819 Norharman 3163762.911 2496844.824 3801723.541 3295841.352 6671400.693 5702371.522 5391959.974 4646023.143 4775719.86 3712441.36 4673176.762 3891541.55 3136509.927 3088637.299 NP-000615 695561437.3 436023916.8 722818423.6 554436673.4 583389559 458193777.2 471649146.7 434957884.5 563491330.5 556380386.7 769079475.9 847533211.4 387851531.7 491315623.2 NP-006255 2035407.763 1044657.473 3421826.767 1624742.147 4429035.265 3534717.712 3103568.744 703732.8138 8325103.641 3266363.536 14822598.49 4387962.18 2284301.548 1842166.845 NP-012534 9813720.17 4849341.354 12323722.18 7062530.546 14778091.04 13598033.55 15183583.75 3967748.22 17786337.5 10323011.39 38627698.82 16012140.35 9186005.519 7573764.545 NP-020205 75371101.87 42391589.47 61352757.95 77539399.61 78315554.78 91508012.78 106402491.9 100764547.3 89140477.93 74958155.24 127269978.2 100016139.6 81716061.93 79015304.89 N-Palmitoyl Arginine 1969215.627 1117356.658 1486114.709 2829647.96 2665534.763 2647490.171 2045113.135 1118341.049 3432805.069 1380313.719 3952907.53 1436021.039 2876488.584 2329551.561 N-Stearoyl Glutamine 1445562.638 2577368.393 1008688.461 543310.9905 673114.3911 1899318.615 597524.8893 4401730.634 3582453.387 826823.2975 1904175.88 2429489.793 3554886.558 6152154.453 N-stearoyl-sphingadienine 210558530.5 157939145.3 269240423.4 234229208.6 240104869.6 195869415 260064489.7 203492724.5 260480988.4 194129748.6 267118028.1 7670168.346 191673931 219433100.7 N-Sulfotyrosine 293856.874 224544.9398 276440.1109 284229.4946 226062.808 305130.2349 122909.6834 356727.5863 335742.392 306383.351 318262.6094 350343.1646 354053.3722 320288.049 O,O,S-Trimethyl phosphorothioate 5707891.681 4161920.962 6600073.594 5146021.302 5680152.933 4426225.013 6796607.251 5158729.097 5970270.34 5697076.284 6439102.964 7503032.891 3638632.812 4266191.81 O-Coumaric acid sulfate 6144126.449 2439097.162 19675356.21 15075716.67 24079225.65 9305201.482 2632939.976 7856513.841 24251293.36 14511775.58 3658534.184 3432877.053 4424301.332 4989670.512 OCP_186.0317_15.9 89567128.77 119635425 208497527.1 177015843.7 118642906.9 83750297.53 156167880.5 121430538.7 146305691.5 112946471.1 164753277.6 166342004.9 108005317.1 95329815.09 octa-2,4-dienoyl-CoA 894230.8143 684434.2513 2263663.267 1468309.951 1194390.317 1128030.164 1218137.413 696274.4316 1807656.404 990206.0081 321858.3815 218351.8746 728137.3764 688555.6417 octa-3,5-dienedioic acid 6523596.156 4962444.458 6866357.536 4836720.536 5932938.576 6360145.593 15017701.29 8906718.056 6807863.901 10276901.18 3796946.388 10588799.3 5779117.541 5791102.082 Octadeca-2,4-dienoic acid 45885.17064 38831.88681 49458.58911 44913.77518 725275.2849 560903.0896 52745.11203 927042.3599 566066.4252 752063.7579 1126291.387 1484726.945 465977.7125 391150.3048 Octadeca-8,10,12-trienoic acid 1549754.307 1016038.221 1857022.786 1478910.822 2362299.035 1880005.199 1695162.515 1538175.168 1735301.175 1664922.617 1194965.108 1744685.468 874000.9558 1004305.051 Octadecane 4669669.813 2330351.826 7016349.144 5311822.786 5102968.5 2594285.814 4364328.065 1659892.843 4340101.498 2890411.859 1661715.221 460869.784 2090862.433 1196738.531 Octanoyl-glycerone 3-phosphate 229163.5823 202350.3143 222071.2333 203987.3891 473755.0373 198638.6655 315821.467 190049.81 308314.1849 190669.9258 183295.6367 240385.0139 196361.7506 127235.9509 Oleandomycin2'-O-phosphate 19856357.93 14245108.11 14442551.82 20454692.34 19231084.56 26982902.66 19442310.88 58859456.04 22767077.72 14685166.2 25033513.45 27097893.28 15385803.05 14752501.55 Oleoyl glycine 661553.5109 1067177.357 3304346.859 1212251.415 1308979.897 983481.7013 1726360.074 1215436.773 1535709.695 1105417.043 1796968.714 281740.5057 789190.7818 940555.6522 omega-COOH-tetranor-LTE3 2391866.92 4061911.721 2701653.739 2736773.864 1456578.686 2093114.158 1534330.091 2849316.846 2349823.574 748417.9639 1133822.889 768150.1185 3154482.126 2500904.224 O-Phosphohomoserine 46701928.77 22436628.95 98207154.7 59192171.65 40829245.62 18387121.11 19499195.68 16617022.83 28525538.95 26504278.52 23805019.8 25682256.63 9111590.548 11499261.1 O-Phosphothreonine 19061.80857 18206.79758 18368.40369 19946.27328 30662.06797 26632.89415 26824.41008 29640.44152 25129.27404 24611.79245 26709.07246 24910.79247 23045.3868 24170.15706 Ornithine 37973518.53 34472906.53 41840413.25 39279011.39 66492285.72 55284515.66 69055329.95 38966450.6 55503379.8 51765526.66 77764409.94 83395219.04 34481461.25 34709571.79 Orotic acid 918857.8067 673174.2789 581070.4011 800613.9869 192925.5863 236604.7177 251604.2012 134164.9902 72430.01302 109968.5935 71357.05989 78365.49416 47521.8078 45858.75991 Orotidylic acid 9290611.857 9508203.222 8050098.285 8457773.376 12504149.86 16047859.45 19464192.4 13770993.51 12223314.26 16553877.46 10164477.85 13648742 11716579.58 11577901.72 Ostruthin 11908112.36 3868178.08 7186412.278 8798733.618 13354364.69 5952094.529 9705517.29 4024527.915 12465087.08 5278576.016 36637732.6 11057392.96 9196431.519 5481685.039 O-Succinyl-L-homoserine 89917.50762 85232.96124 85618.74375 85126.60707 129554.3279 110009.4245 117797.4113 104662.9742 116838.9571 102088.05 121156.4064 122076.6298 105590.9124 106043.022 O-Ureidohomoserine 12300596.41 6923986.74 11761889.36 7497932.65 5559020.779 3824521.706 7318922.122 4849952.831 5408914.979 4642708.828 6552904.526 6956412.422 3760428.145 5480461.659 Oxadiazone 13537397.21 7474213.312 19299057.8 11131378.07 39982180.86 29161798.82 14966774.12 9547828.369 38822368.66 53444410.7 8040168.133 23070335.29 7147426.871 11980091.12 Oxaloglutarate 212148.761 158540.9225 280865.5335 235400.2343 224735.4468 181894.5449 185771.3071 158949.6975 207801.3704 181587.687 278167.6377 275065.6666 179619.512 186266.7016 Oxalosuccinate 21068126.87 19166791.64 42528320.04 31214939.66 30972378.76 21685220.34 17382767.08 13144296.12 26438217.7 24863398.78 19785242.48 20755374.57 15484659.02 15900856.39 Oxaluric acid 4300754.387 5363427.97 4910310.913 7683133.733 15130503.31 11780902.24 6715821.592 4706944.337 7486687.067 8833964.554 8043018.287 5510308.324 6430423.752 4571523.394 Oxamate 4469016.104 6528389.566 5528491.998 10219581.95 3323379.325 6720781.262 5364162.49 4938237.553 4252685.809 4225960.014 3314648.504 3737073.048 4609980.07 4812308.26 Oxamide 1736626.567 2694919.523 1682618.946 2390438.458 4130906.409 4044798.577 3892607.713 1436504.036 3756874.211 1389111.363 795665.4633 3606666.97 3368489.516 3632229.235 Oxazine 3650583.215 3388174.314 3753145.187 3262001.314 3198052.875 1166998.318 3158382.837 633680.1414 3757774.506 3929793.444 765260.2905 3442818.949 3690078.239 600260.6357 Oxidized Photinusluciferin 692933484.6 509613355.1 932244392.2 740353257.2 920043798.6 709885017.7 1476509960 872724083.8 904995112.5 1190863864 783550993.9 1310435854 516704204.4 628450342.3 OxidizedPhotinusluciferin 478486.605 4884123.483 3876857.075 5655714.893 7888851.116 7896444.759 8792713.838 8017682.624 9387221.005 8798926.643 9603685.994 8443219.443 11019592.08 10197974.21 Oxoglutaric acid 227002807.2 135332035.4 158020982.1 130160845.6 61628529.9 51459437.44 69267065.91 68387976.66 63817722.1 61078688.4 50351761.97 45351260.8 18426750.6 44741171.9 Oxytetracycline 4768895.895 5170146.497 5086611.057 5852005.747 337056.5903 307062.2085 325711.5842 249904.9613 327049.5203 279716.5597 571113.3151 423169.8282 257970.6346 268225.4288 PA 13:0 248908.1962 162928.4498 146900.1625 165291.4432 267331.8127 234136.719 209857.608 180167.3455 2299051.762 272188.0151 234333.8004 287236.3618 244466.8617 169512.1323 PA 14:0 993258.8249 529689.6999 659826.4485 724633.5586 404529.6456 612272.2682 535571.1262 500263.509 731144.4925 636549.3943 715218.6601 845805.4067 1151759.383 171570.7871 PA 16:0 1216107.304 723580.8578 741548.2009 487906.9198 1039953.422 798273.7516 740125.1524 410023.4973 733162.3246 675158.7825 652809.9618 878676.5216 678984.9079 321382.8959 PA 7:0 544749.3014 1132653.237 688928.1892 526920.7512 188124.4108 166117.8901 240269.5595 147338.6022 183211.0871 170784.3324 216874.2476 222458.4535 150409.0436 141803.3401 PA(18:1(12Z)-2OH(9,10)/22:1(13Z)) 3512315.002 2736577.242 4948703.479 4406513.741 4292810.944 2666095.95 4164303.93 2927476.081 3595319.967 2681896.97 220118.572 3176731.012 204759.9462 253382.2067 PA(2:0/LTE4) 7550571.429 5433109.812 5372977.394 11873354.41 8215645.919 8417320.29 10843823.13 27566646.96 13154278.22 6151178.799 15716998.02 15479652.23 9856648.603 9069391.733 PA(20:3(5Z,11Z,14Z)-O(8,9)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 419665.9611 248357.7216 135929.8625 296879.4243 186481.241 273161.1891 262839.8124 173247.059 463255.9806 181538.6402 391432.9839 187075.947 519869.2716 265465.1164 PA(20:3(8Z,11Z,14Z)-2OH(5,6)/12:0) 26847.7238 26289.87426 24271.48427 25186.62249 121895.8979 200682.5095 353575.3724 89111.62704 654438.3419 382123.5322 9903841.14 13011621.97 33993.70435 34002.44926 PA(20:4(5Z,7E,11Z,14Z)-OH(9)/2:0) 1969955.08 2353531.068 2063576.948 4270895.447 2128461.353 2834854.59 4380178.841 1748649.513 3702559.223 2875483.058 3909631.978 744423.7892 2247636.046 2302767.418 PA(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 19938.37398 19191.49347 19285.14814 21195.27954 33805.58617 30955.45311 27973.46337 31095.55915 27010.66899 27395.78853 27284.49867 25261.08871 25100.37614 24693.18933 PA(20:4(6E,8Z,11Z,14Z)+=O(5)/i-13:0) 42456.52538 40641.32736 40297.18061 40065.55236 91572.49008 86736.59553 333722.5227 86670.00974 603589.851 355088.846 11091459.17 9553108.624 78739.46413 50859.91686 PA(20:5(5Z,8Z,11Z,14Z,17Z)/14:0) 3077982.049 1591890.87 5129594.49 3260850.838 3337074.129 1770411.47 3501649.583 2248333.307 2894530.735 1825675.453 3071496.838 882919.1785 1157944.196 1324568.579 PA(22:1(13Z)/15:0) 47653325.41 39738554.01 23166818.2 50163446.79 30787646.74 45599346.86 55345395.5 46746450.63 28062772.21 18184363.14 36578177.34 17298509.67 47824706.05 52585616.85 PA(8:0/LTE4) 26931121.31 20718028.02 20308770.44 31139291.99 27584174.93 37594690.1 26460251.39 76947556.81 32609139.41 17784981 39212949.85 40485341.71 22519866.47 18970230.88 palatinitol 3168995.862 3400146.9 3685287.357 4342839.188 4248051.484 2633676.922 4617708.034 4245018.849 5191173.51 4795380.412 5462827.359 4944082.741 5820005.755 4447413.348 Palmitate 67369721.11 38540393.57 97760665.46 126778685 221142263.6 154861180.2 59652532.17 38283898.2 160203719 40774332.41 219482094.7 323636557.8 76478436.84 44450237.26 Palmitoleate 9787707.594 6545554.661 9891076.778 8694282.771 12785085.62 11413158.29 11553952.81 11891939.69 12954432.88 11542642.38 13651749.26 21773727.2 8849655.579 7576430.161 Palmitone 1615549.53 3029613.206 1822985.26 1737761.115 1682810.838 1679068.767 1628613.593 2332351.742 2016900.803 1936011.386 2178456.375 825460.5063 3102624.838 2746576.704 Palmitoyl Ara-C 210747.7049 145692.7634 240721.0144 721305.2522 270990.0305 180319.5014 231401.5614 192964.3762 481000.0982 184373.8516 218245.2572 267845.9266 554369.9526 199114.9074 Palmitoylcholine 6313412.014 5785020.554 7494477.707 6562515.939 2691743.147 2562537.911 3568700.024 6323252.73 7849686.379 5579756.748 4098862.805 1061351.075 5294996.934 3780400.805 PARA-BROMOANISOLE 467140.7695 542704.0344 482618.4174 481927.3709 573137.0406 600513.0835 585753.5241 561523.7046 583984.4493 401439.4353 608352.3197 518366.8985 537526.202 534442.8953 PARA-CHLOROACETOACETANILIDE 210209.5983 168708.3894 251734.3788 206380.7646 187074.0239 128728.3952 217097.5943 156136.0409 183715.3673 147719.0068 208867.0635 223264.416 119332.5227 137115.971 Para-Iodoamphetamine 940443.1356 482222.0475 1214076.922 1009718.165 747291.0738 730236.245 847981.5852 655679.9442 589317.455 659147.0445 897855.5349 908834.3661 958328.5126 1129783.567 Paraxanthine 235565.8389 238397.7464 229233.2392 273262.6504 313989.7782 321943.7196 168772.6405 236039.3129 127873.9943 461935.4249 498419.9117 241988.6812 168838.4447 139705.5688 pateamine 305024.17 140750.2794 286719.7946 251316.7918 111316.3355 77459.66523 93408.05027 76863.46151 198998.2666 359892.5667 240555.0294 110962.8609 216166.3905 152406.1869 Patellamide A 531412.7991 239949.1627 427443.1581 444340.1115 364796.9266 274791.7268 1290315.081 235776.0577 398516.5871 294171.8928 190069.9932 251344.7323 207126.4145 229328.1902 PC 24:4 397044.1435 288211.1355 466228.1845 405650.7415 363520.6007 483241.9151 498101.7145 374544.5292 363403.9821 320294.9474 488886.7503 329428.4893 398000.3704 500192.2775 PC 25:2 2499708.034 757468.9465 3203067.502 2653208.55 2408179.844 1441739.283 1632740.7 1711979.086 2075411.955 1051460.77 1986357.292 687694.1277 506627.2812 1191836.256 PC 27:5 186355.3327 146351.68 296059.984 411367.5755 318603.4193 316543.6979 272897.706 252663.1441 318026.6533 236482.809 514649.4657 353574.0136 426699.9159 200122.741 PC 30:4 978344.0721 492923.1198 1073458.688 2341108.726 1067144.631 1557869.574 650160.4872 488850.7733 1209005.01 337232.2482 2364696.548 874202.1057 1606508.557 773835.2649 PC 32:2 2212506.597 808515.9718 874885.5005 2034751.47 4046468.082 1920593.79 2448044.597 5141307.011 799649.7645 7295849.61 356192.4213 4875095.458 458698.8098 766159.9948 PC 34:5e 343081.8312 91036.2579 737387.7216 1017596.224 1176274.477 701650.4622 87720.84444 94148.97441 881788.1434 105820.0562 1955421.722 1092766.033 88950.98327 120359.3944 PC 35:7e 857312.5045 926699.4992 826359.8437 1776602.006 979744.4139 434437.6293 879461.8004 1064943.641 1194375.291 132686.9952 990042.2842 171449.0581 1076664.065 148929.3237 PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 472908.175 273202.4663 658173.1605 760009.3321 382918.3171 415526.8196 904573.9397 1168779.424 459274.2052 998164.7322 648039.3218 1234734.996 618043.4968 495020.704 PC(18:1(12Z)-2OH(9,10)/2:0) 12553973.92 7448786.412 17524221.53 12544567.27 11991962.51 8056807.051 12519643.36 7773196.217 10979075.63 7316256.036 12265498.25 4352856.429 6477635.212 6709602.311 PC(18:3(9Z,12Z,15Z)/P-16:0) 4196914.823 1393506.875 1246460.628 4281115.743 3970293.448 3428311.689 4931159.893 1660068.524 4537273.617 3808450.104 2022545.609 4347627.682 3539175.967 4200418.593 PC(2:0/TXB2) 898601.6178 358579.559 634144.3875 596363.7444 714043.1382 697747.1006 810253.8 546909.3319 519558.8419 430702.0559 685581.5959 817586.1112 290306.1436 238588.0636 PC(20:4(5Z,7E,11Z,14Z)-OH(9)/2:0) 2034864.35 1605936.191 739163.7769 1696007.159 735988.3796 1546537.547 1032571.543 2338312.835 1261382.598 769660.4829 1563112.97 1406456.999 1604754.397 991035.2771 PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/DiMe(13,5)) 1052136.854 1327487.729 1297873.921 2392583.534 1985534.317 2112137.987 2942820.416 1979381.207 1440370.923 2091046.775 2785751.165 3077461.28 2627851.105 2258993.157 PC(24:0/20:0) 638712.3854 669796.1443 783366.8797 753663.3871 870293.723 805570.6689 852173.1468 782672.2814 881141.3855 845102.5703 874244.4921 863960.6205 815239.9531 888846.8554 PC(24:0/PGJ2) 624431.7465 1329395.955 604026.7736 721717.3889 1075545.794 1019520.322 1304302.341 2572754.553 1237305.911 852482.6763 945029.4648 643987.9958 1700973.409 3294481.335 PC(24:0/TXB2) 1414891.179 3561951.111 1048188.794 3772763.698 2160920.264 1934370.02 1195909.38 13076510.67 3342638.328 17026295.68 2341999.516 26320760.37 19768301.27 10880459.03 PC(40:6) 4278043.394 4691190.661 3648420.083 2971279.779 3145968.613 8192609.698 13702392.25 9747682.684 7139492.131 9160140.383 10412186.26 9962376.435 8678656.72 10595808.2 PC(LTE4/18:3(6Z,9Z,12Z)) 103173.4856 83166.91909 116485.0151 114232.0617 88043.88604 79350.20127 78364.95474 87353.17692 85928.20919 87554.14958 91643.05255 99515.87014 73809.3461 66488.49535 PC(PGJ2/18:1(9Z)) 11387763.37 10084317.21 10236349.18 10503332.7 9683766.541 11262882.95 4548684.059 11154337.58 14233389.56 8338563.737 10808244.88 4570084.747 9476192.905 11392694.36 p-Coumaroylquinicacid 33238531.11 16259382.86 39873717.8 41392679.29 27327439.22 22330672.81 92998608.28 12644972.44 13238937.94 10036760.84 22732849.99 30925536.69 13113186.35 25993653.94 p-Cresol sulfate 11259359.71 5144175.152 927557.5602 673397.4284 10841086.14 6171215.417 2161196.449 1798662.284 1410972.132 1320803.858 11531042.81 14004233.37 7083817.106 8818015.523 PE 86:20 5695895.157 24718535.65 4989177.547 6109363.757 3145565.356 2186062.871 7625242.025 820029.443 1748809.765 5065632.399 8090156.062 2801838.155 1520979.891 1903524.098 PE(14:0/14:0) 433184.5611 1610879.595 1734873.337 2137300.136 1950223.416 1721735.255 1678882.253 1776088.171 2653288.919 947243.1241 1447926.326 780589.6686 3007140.405 999828.7982 PE(14:0/P-16:0) 139564.8334 133597.8399 132466.5466 131705.1287 1352650.679 1437969.402 2541076.236 849578.8518 3191129.092 3124878.4 27276124.7 25773971.47 787316.0179 585972.526 PE(18:0/22:0) 546729.4062 407625.9265 527135.7985 466046.8493 568201.3214 341387.7335 456455.7621 471773.4706 388857.2986 547777.729 272018.4874 603806.9531 292980.1463 362551.1598 PE(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) 6124984.639 5748388.699 7311332.972 6853138.834 7060279.019 3593396.567 10169706.92 6669079.889 8658410.112 4934616.37 9861844.279 1098490.585 5394008.737 6642999.769 PE(20:3(6,8,11)-OH(5)/24:1(15Z)) 8367275.008 8546639.707 9034499.257 11789974.66 9629179.434 6514455.167 9401004.116 14244300.29 9219694.211 13168658.87 1885095.268 7722754.619 5378678.312 8219146.581 PE(P-16:0/14:0) 145966.7967 3559803.23 6091681.405 5003109.798 698549.5314 135664.2962 971786.2281 141115.4865 151337.2263 156020.0963 155263.4408 177666.3682 126040.3026 130427.7329 PE(P-18:1(9Z)/18:1(9Z)) 10159223.19 215688.4472 1667640.908 741930.5883 297793.2466 209754.3474 654838.3631 232736.6847 210023.4184 1099315.913 199796.9046 4777864.597 199572.4628 221148.3441 PEG-4 6041579.671 5698546.955 3332115.511 7747204.113 2214155.835 4344026.969 5002262.961 4929003.827 2407651.758 3876223.497 902547.4609 3676616.104 3506946.011 2709158.389 Pelargonidin 830727.9551 423016.91 620213.5417 475516.9793 55973.42111 81769.40581 149740.5266 35181.76255 34157.96089 33182.56859 35895.56614 33599.55366 49224.34569 28676.80133 Pelargonidin 3-p-coumarylglucoside 885052.0337 277258.3476 1710898.031 1210618.279 1969206.468 1296974.423 595477.2434 434450.6253 1271332.159 967799.6142 382194.1352 417391.6664 397284.2607 261182.4201 Penconazole 23281743 8849706.479 24065239.52 13321288.3 24345823.06 22248310.86 22842349.81 21092584.57 29072525.3 24557897.76 30034347.38 15413743.09 5577113.098 4271239.447 Penem 475969.4935 235703.3185 687682.1034 2141818.46 719962.1478 681454.0967 530637.5489 238773.3853 879362.2399 430651.7899 271650.4404 767958.6866 314729.6965 393301.9218 Penicillanic acid 326188.1511 212470.3796 519472.2764 447660.4665 1017059.142 653028.2758 1384455.185 910993.1684 1746943.374 662301.5476 1050466.33 2529652.536 627424.567 572128.2997 PE-NMe2(22:4(7Z,10Z,13Z,16Z)/24:0) 1406763.316 3071797.316 748191.7085 2965336.971 828369.9593 1102499.195 814476.0386 1534972.435 1777886.356 1315937.046 3549720.73 484257.8249 3461309.797 3860225.182 Pentacosanoylglycine 448908.928 1213159.402 957585.1068 512029.5668 1070476.344 1149617.757 1051597.534 542366.4794 1097164.159 1145046.965 1121325.034 566864.1214 1858616.675 1862026.722 Pentadecanoic acid 5963154.273 2541243.084 7033630.47 7016073.994 10150780.38 8277063.201 7499859.799 6842507.934 7928024.569 7133126.628 8783940.391 7678464.914 10176950.34 5786989.014 Pentafluoropropionic acid 32914325.83 49606663.23 37263275.88 46219824.45 36847086.52 46149363.45 37644802.21 52435029.68 50061194.73 43654730.31 44393775.15 35743018.69 64149863.07 64433323.18 Pentanamide 1610049.606 1222789.806 2329184.387 1904106.683 3990702.593 2747571.902 9937911.46 6680742.72 3187094.188 3555791.076 4804184.629 4795483.206 1902777.467 2320613.872 pentiapine 1140203.288 1308497.401 516256.2286 950197.647 4835186.939 3565116.807 6746538.193 3530383.295 5179364.705 3731389.795 2061621.961 2005522.985 1487900.363 636049.4086 Perchloric acid 2664255.02 11388984.53 18620838.85 13278237.3 725343.0729 3425073.913 2056484.782 6745418.889 7242091.408 6264588.731 3698892.779 1847256.167 6417899.688 5015939.062 Perfluoroheptanesulfonic acid 1467846.192 2230154.448 1555689.179 2515432.121 1739738.175 2037370.279 2334446.069 2760221.008 2869435.104 1986246.547 2715844.361 667831.4591 2888435.653 3462082.642 Pesticide3_Metobromuron_C9H11BrN2O2_Urea, N'-(4-bromophenyl)-N-methoxy-N-methyl- 381569.5853 291020.7903 457178.2163 356005.3738 322701.3812 222055.5802 390378.8798 289146.5277 328857.8872 271126.8701 360294.222 393219.1131 219102.8858 236524.0899 Petunidin 4028222.372 1854871.518 3146266.421 3663474.901 11007004.6 4259240.66 5188508.053 5519806.386 7214471.881 7872893.499 14030549.71 17835236.8 3775925.445 3191952.68 PFCA-H; C3H2F4O2 31361.44193 30601.91509 28061.42957 28203.59866 25332.03806 23270.31855 22795.37746 59128.45826 35849.6829 33275.6778 26617.87139 30616.07496 22201.14979 31406.17692 PFCA-perfluoroalkyl_Hsubstituted_1DB; C4H2F4O2 3189187.183 3630257.266 3042969.449 3104034.907 3527051.265 4703295.548 5781027.032 3619847.439 10728677.04 3562520.994 29938541.39 3740636.932 6900619.783 5025768.755 p-Fluorophenylalanine 3335865.884 1073935.065 654632.7951 4570480.031 4997990.859 5020716.607 3944620.763 3911827.049 5352685.647 3734128.23 2957232.532 4780667.761 1852256.72 3338764.511 PFSM-alcohol; C3H6F3NO3S 37050843.35 26129731.78 32545217.04 25307862.09 22022888.59 17075405.74 36780048.17 24122595.67 20511437.52 26412559.18 18741676.56 29152429.11 12892545.9 15370303.05 PFSM-perfluoroalkyl_sulfonamide_Me; C4H4F7NO2S 617176.599 2377320.784 1792412.484 2154426.23 2955980.512 3964791.375 5115045.646 7294307.178 10318155.68 2650893.911 7583720.707 18017570.97 2756824.699 1770272.444 PG 30:3 2459992.256 801443.2879 3472627.071 2011291.913 2758641.855 1401852.987 1064713.267 1089538.338 2287189.198 1351588.425 247656.5942 2445235.367 806557.4454 881603.5535 PG O-20:5_11:0 593882.0179 109173.7442 825644.5849 3260850.838 328622.0881 93697.96512 125450.3064 2248333.307 119311.5501 154803.9119 100188.9952 2436011.284 89149.68335 111771.8705 PG O-22:5_11:0 348223.5368 247787.5344 320435.162 312723.0548 345398.0606 252688.2265 295615.2511 319554.1702 239496.7231 332982.973 191455.3588 359497.4718 178096.6895 220387.4978 PG(i-19:0/LTE4) 1929239.21 2408904.718 2217735.717 1827608.342 5566470.57 4635484.601 5884112.583 4564052.489 6114422.775 4614874.154 6323329.973 1940318.58 4367681.062 4220867.257 PGP(16:0/LTE4) 7258789.501 13024619.41 8064418.738 9391773.949 5108012.61 7495542.728 6038698.287 9237335.042 7550913.57 6804980.452 6125301.942 738129.9336 12404334.48 11537327.46 PGP(18:1(12Z)-2OH(9,10)/i-14:0) 848002.4749 1708061.748 1053318.757 945802.0083 603559.6114 822146.1986 309574.3969 1011688.329 753263.269 734941.9351 723092.869 415368.6789 222686.3645 1162169.515 PGP(18:1(9Z)-O(12,13)/i-12:0) 20559236.38 26329067.24 34792578.39 8055179.073 19521077.78 35337019.08 39468997.23 17898399.14 28746381.79 6773493.835 11033564.23 17431622.52 13987822.73 15975340.35 PGP(20:3(8Z,11Z,14Z)-2OH(5,6)/16:0) 23110.66366 17588.77586 20920.98144 18685 29040.50677 28957.26519 25351.81698 28599.56527 26535.06963 28413.33524 27542.05209 27313.3737 21888.06594 21184.09421 PGP(a-17:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 77854.27407 72333.76063 76344.17223 79477.59967 130603.5232 115056.9086 109973.4158 117479.0946 99699.72729 108365.5895 109742.684 101987.5678 102281.4806 98783.23212 PGP(i-21:0/LTE4) 710399.5698 3200895.483 1783355.758 1258137.983 6139495.426 5599490.682 6784098.821 3293796.743 3461280.569 4850228.097 1836410.722 457577.1229 3108241.584 2995770.147 PGP(PGJ2/i-21:0) 15997.90103 15398.62846 15473.77391 15694.09209 27124.49983 24837.64602 22552.40641 24950.06253 21672.47989 22396.21251 21990.66704 20268.67373 20139.72321 19907.9752 Phenacetyl-carnitine 2955274.287 817451.379 2527592.961 1041145.197 637207.8639 554717.1405 514796.7875 599076.311 674446.947 646861.9654 665199.047 736550.9299 563113.0472 637816.2049 Phenamil 117031171.1 34731462.82 341486578.9 142376080.1 410997718.9 235940144.4 135405859.3 84578127.3 445299496.8 635949835.7 146157071.2 342426044.2 69672899.67 124251599 Phenol 425575.245 390349.9584 342861.8242 313130.3927 954714.5033 642423.4227 333681.3903 254898.3411 578857.7184 613383.8495 404409.6644 454320.7014 179754.2606 168999.9459 Phenylacetate 8979836.554 995883.9041 9971835.649 9781095.155 18792773.63 13493419.89 15119510.21 7936433.664 13009484.01 9325214.656 12727581.24 12773279.64 6737010.344 8038435.05 Phenyl-Alanine 28528.5329 26253.87259 24933.41581 24074.3568 40782.67367 35797.15917 40582.05372 31519.76078 40333.47966 29470.09894 30774.54957 40107.95632 34362.48632 34190.24564 PHENYLISOCYANATE-CYCLICTRIMER 5051527.32 4179720.114 8001974.232 6816298.226 8380024.082 6200137.231 6168458.512 4035408.533 10034747.69 9569134.764 9040713.224 7657271.86 6099079.007 6425613.297 Phosphate 5585603.906 2899323.975 2293240.661 1923483.622 8808941.326 9654956.043 6647421.192 7405600.944 5819651.543 6922202.938 5324785.628 5181498.033 5592286.572 5985686.967 Phosphine 58316003.83 83233275.96 77250992.55 90841780.4 116812596.7 129067827.2 108619857 131646246.3 124851272.2 121789749.1 109987428.6 107818142 147544932.8 144460840 Phosphite 613772.5385 354580.8258 854222.094 986392.0349 1502275.276 539299.0951 1174017.859 1516921.787 1731150.958 1295486.384 841069.7057 1602523.435 593097.6372 927489.8416 phosphoadenosine-5'-phosphosulfate 2507442.385 3346151.358 3025498.827 2607158.845 2987169.456 3541584.301 3388052.302 4270173.464 3702655.388 3675269.527 432481.4229 2999106.386 3945749.351 4966939.623 Phosphoaminophosphonic acid-guanylate ester 1796063.855 2783458.038 9910538.803 7139052.787 6775480.868 5598393.271 4829677.88 7628235.634 10047244.29 10292651.76 7381344.924 9113532.615 7269861.976 9249823.606 Phosphocreatine 79071888.92 148984136.7 176102413.2 247883848.4 171564644.3 125138659.3 326976198.9 223615566.2 468538492.4 318213864.3 372823091.7 114765421.5 270141388.7 49659718.34 Phosphocysteamine 3592393.06 7103415.273 4407190.228 4589150.999 2543275.476 3632004.718 2518139.631 4736969.875 3894107.745 3174482.429 2908748.816 640491.2924 5951599.618 5391858.484 Phosphodimethylethanolamine 62762162.22 60860749.98 86017434.13 61762976.73 69451918.36 73589496.15 38246440.91 38332273.36 61928856.69 54977131.58 48324191.48 40745083.84 40903867.95 41743684.25 Phosphoenolpyruvic acid 12753058.11 16252375.64 10731355.81 26097674.21 93760825.17 41618858.95 59082581.57 24396537.72 62835034.79 106056793.7 48337684.61 20178479.2 17283619.41 18995381.39 Phosphoethanolamine 2409945.627 1883873.388 2840188.341 742343.8167 627493.021 558076.1116 676820.1471 453015.2471 586503.3252 498363.4175 674128.9797 751209.7548 556067.6396 673425.345 Phosphohistidine 3086719.269 1921277.898 3073213.231 632402.5043 2655980.826 867042.7709 1964046.096 1844777.239 2388290.888 411295.0858 3480914.118 3916150.858 1827874.147 2164052.537 Phosphomevalonic acid 1396938.773 1947580.29 6751937.083 7185118.985 7744657.708 3297322.823 4797589.325 4103491.476 9063164.543 6440686.254 1566563.148 1524672.645 3077618.361 3493624.203 Phosphonate 15484.32677 12428.97335 11733.38002 12418.69591 8539.849735 9004.534113 8791.92781 9107.868395 8544.50408 8955.470132 8806.47618 8825.101634 9836.908992 9822.815858 Phosphoribosyl-ATP 7179449.186 7713887.292 4151800.351 4241958.153 1819884.722 1853253.089 2631963.763 976996.1279 713299.1895 1036142.501 1630865.476 2294572.17 689412.2436 767311.2683 Phosphoribulosylformimino-aicar-P 385383502 223177252.2 467997339.3 380822487.3 419746829.8 347985913.5 338042130.5 367688385.5 480543877.1 344336564.6 428489025.2 377596503.9 319809556.9 309017163.9 Phosphoryl chloride 11412091.57 11820007.15 15595249.94 17991752.29 12347277.91 5238933.557 9673035.888 15919000.12 20040161.58 14314142.02 18677014.35 9433947.805 15143735.6 18280106.89 Phosphorylcholine 23641.35638 21392.84499 22839.10399 22229.87057 35084.94412 35220.09095 29532.58498 34785.02833 31626.52336 32808.37868 34202.48205 33220.66154 26585.39784 25465.23921 Phosphoserine 283897.0351 307823.626 384953.8468 398462.0295 456720.8469 411451.7566 380960.0829 378539.7276 468927.1193 467919.9931 519931.085 525938.247 432106.3865 498528.1818 Phoxim 2823522.495 1134150.889 9634812.814 3076591.971 1699977.289 3213944.367 12895717.62 2048355.276 6778234.551 2874607.99 13931254.6 6673288.263 10281355.11 1703568.837 p-Hydroxyubenimex 1529101.872 976089.2316 1026475.797 1025113.812 453742.3547 1311287.689 765218.7376 894447.0459 957683.6499 259557.8309 549234.0234 944613.6869 857093.1485 646143.4738 PI O-18:5_16:3 3050797.584 582003.1765 2224270.504 6117897.203 3868048.624 1551658.757 15243831.23 3390728.856 9485177.114 3268557.824 256402.0104 2848488.766 330190.3409 551513.5956 PI(16:0/20:2(11Z,14Z)) 668183.2118 421854.4387 1292915.291 2260627.144 2527787.618 1265767.592 215746.1134 165766.3426 2241163.705 480304.6722 4075182.779 1179994.879 634871.6423 502791.7401 PI(18:0/20:4(5Z,8Z,11Z,14Z)) 5367276.348 2143882.875 5321558.36 10658127.87 25465442.48 14827726.64 3265852.101 2304266.504 12733345.64 3284793.868 25840438.14 7171592.026 2688134.394 3664317.043 PI(22:5(7Z,10Z,13Z,16Z,19Z)/LTE4) 70904.04907 62854.97812 90657.22818 90328.26088 1996236.594 1862639.207 528617.5933 301470.443 1013970.133 1988374.686 226090.3195 555844.2059 1858644.566 2028753.965 PI(LTE4/22:3(10Z,13Z,16Z)) 1844764.953 2860123.164 2004519.616 2529368.322 1318702.162 3087384.07 2650079.225 2952110.902 3259308.017 2634289.833 2973207.049 659829.4299 7502094.774 2849268.165 Picric acid 11970929.55 8347567.942 9435576.904 7024867.943 5641217.615 5275630.003 10528858.67 6862075.462 6543536.926 7693642.617 6062195.285 5518038.671 3838299.155 4308993.374 Pimecrolimus 3554815.092 7983774.739 3889149.731 10385549.73 16792106.31 6108757.401 5197115.601 5713955.962 7315318.097 9499819.221 4503301.284 4616113.786 2770081.541 4480162.793 p-Iodoclonidine 1569634.865 1140678.375 1875644.214 1989552.431 644430.8903 221157.6407 1290518.854 1488594.017 2097456.269 1969473.992 221947.6774 1568664.17 211172.6321 322505.8947 PIP(18:0/5-iso PGF2VI) 7258789.501 13071759.34 8064418.738 9391773.949 5236928.386 7495542.728 6038698.287 9237335.042 7550913.57 6804980.452 6125301.942 693103.9192 12307656.1 11658452.43 PIP(22:2(13Z,16Z)/18:1(12Z)-2OH(9,10)) 6766691.064 4888185.907 9988101.472 6245999.5 5339616.963 5656326.307 1813089.768 4551327.057 1113600.943 2045725.323 175543.3393 5316308.698 172180.7108 310750.0144 PIP(22:2(13Z,16Z)/20:4(5Z,7E,11Z,14Z)-OH(9)) 3057671.377 4352587.117 2855812.261 3453649.826 3979244.634 2856565.072 3923655.343 4883788.246 4644290.936 3930703.805 4497889.523 894539.2068 6448590.154 7807006.419 PIP(22:2(13Z,16Z)/LTE4) 2946681.059 3812698.251 3046426.549 3236144.536 1716608.773 2215855.452 1801010.817 3066959.516 2953314.825 2230697.721 2362037.957 548796.2563 3983010.636 3905306.328 PIP(22:3(10Z,13Z,16Z)/TXB2) 1364670.46 608086.4175 2038117.704 2581258.333 2020993.604 895355.1685 2380813.466 2783843.189 2603744.956 2479732.063 3800733.869 2400634.973 3183079.348 435916.2558 PIP(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 3084806.452 1402722.08 1399029.175 2034381.216 3462883.799 2258108.337 3405394.551 2225029.849 2720111.16 2051429.39 3220544.35 535699.935 1581556.221 1367206.723 PIP(22:5(7Z,10Z,13Z,16Z,19Z)/LTE4) 2837277.798 5205480.58 3114667.494 3286817.999 1454462.485 2605607.988 1813950.826 3380103.656 2734961.732 2186590.139 1929896.729 567269.5329 4408511.528 3856923.414 PIP2(18:2(9Z,12Z)/16:0) 7388783.043 12258738.26 8605918.154 9365098.188 5236928.386 6668948.853 5343518.312 8905885.309 7091755.615 3695392.411 6133416.774 907016.3208 11709092.88 10897288.28 PIP3(18:1(9Z)/18:1(11Z)) 767428.8445 1292746.32 2894082.783 2992565.961 2421982.632 3717331.187 3243358.558 3916099.622 1149638.632 3415718.556 4793976.007 2576041.025 4661699.864 5434147.549 Pirprofen 4042321.435 2229816.615 3491369.33 2979842.983 3434224.963 3620620.126 4304069.137 3067840.644 3362949.595 2829255.324 4648659.185 4908789.554 2528002.85 2018596.505 Plumbagin 2388880.827 932591.8909 1850260.184 1397885.971 1786727.363 1574975.407 2183497.009 1943209.402 983124.2769 1392865.953 1527094.515 2542293.789 1119624.654 1126922.896 p-Nitrophenyl thymidine 5'-monophosphate 6201831.005 5407558.518 7991919.606 6761008.916 4347628.144 10854028.82 9082997.432 10575562.46 10282169.81 5140694.096 14315965.17 9838405.891 10392504.79 8142129.847 Polyethylene glycol 227022.2 268804.7543 249050.4226 261908.4736 120574.7014 100963.1199 97932.90013 467647.4674 101128.3267 345042.9378 332990.0914 165809.9855 113867.7148 126683.2536 Polystyrene sulfonate 187329592 105995300.3 223085204 151140525.8 153852861.1 106966521 217729223.5 134296756.1 151699598.9 157026138.4 184749649.3 228528536.6 89061015.59 111866811.2 PQQH2 47117.30099 45503.29285 44573.72049 46416.35914 71456.01221 70573.50594 69540.64622 57402.24803 72022.59319 56462.86509 58358.17178 68883.17004 62687.76302 66886.43278 Prazepam 22096464.9 13726789.21 32093688.37 23225961.59 28289378.42 15837882.32 25980278.58 15802516.69 20429996.85 17796359.04 21924726.9 23038788.27 10813924.36 13470820.7 Prednisolone hemisuccinate 470587.2335 266931.6865 347514.8543 391599.5847 1355905.513 326913.7616 528408.8605 320114.0119 501194.6617 249020.9232 801847.0529 395417.4086 192111.6257 358681.9411 Prenyl glucoside 28601.4899 21613.54753 20403.93518 21595.67541 41185.57548 18981.26868 18814.36071 19263.44785 18278.68774 23857.04448 19459.09095 19444.09125 18852.08788 16707.18297 Pro-Asp 2013253.082 1553476.573 2738185.372 1946046.753 3307390.341 2663773.887 2440131.555 2992584.692 3359816.219 3145759.634 2523370.301 2352324.051 1892622.345 2065726.996 Pro-Glu 140021.794 128741.4227 136638.9194 141955.5804 227828.6183 196605.1176 200225.2114 221687.0632 184762.8068 210358.0377 214301.0961 187583.7743 179008.5385 176683.3275 Prolinedithiocarbamate 199420.7608 161409.7505 291925.0303 248181.3898 229669.9025 209231.7716 221939.4308 170284.901 222851.0987 190598.4836 267405.7132 288347.3458 175780.8398 182768.4426 Prolyl-Glutamine 1171438.686 330808.1202 1226684.878 847430.3897 718479.7877 432901.6736 872892.7534 344283.2879 494397.4797 589078.539 1098697.05 1470768.42 104563.8985 113378.6551 Pro-Lys-Ile 78531.3008 64207.87871 99775.49862 110691.43 995971.407 734560.6324 736195.9963 1453746.874 912083.5639 1147195.355 1395075.294 1666728.528 595293.7426 629295.5489 Propan-2-yl 3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate 2604045.069 4950830.941 9415106.837 5988333.331 4387475.601 10128354.84 19987936.17 11403167.42 12301593.06 14835449.72 8306894.603 17215352.18 6898517.48 8377599.462 Propane-1_2-diol1-phosphate 1233160.494 1040404.03 1558358.066 1295399.629 1570058.33 751137.2363 1291641.337 984653.0727 1268460.931 1172161.658 1156951.62 2640579.466 745445.666 925094.5908 Propanoate 10059622.03 11385982.12 10915174.59 12262920.24 18893397.24 16150956.19 15713433.31 15255932.8 13040409.76 13902679.77 13118730.23 12049787.6 11542825.5 10491051.21 Propanoyl phosphate 2883271.938 1015362.239 3858386.754 3364241.399 8110349.984 5489983.743 2945906.116 1256645.19 9258816.435 10520342.33 2707793.118 9896197.347 2031872.258 3334540.9 propanoyl-CoA 269101.894 283967.5756 332270.5363 345593.008 1860997.749 1723160.76 2184884.313 3951783.418 4142864.647 3786374.005 4053241.84 5562925.908 4312271.882 5630419.624 Propaphos 11028156.9 12693366.55 10240749.08 7274111.662 9020142.561 6138276.68 7449548.159 5631737.928 10565990.13 7574435.946 9807645.148 11366809.45 6773624.933 9474431.716 Propyliodone 384723.6768 451760.6852 379272.853 166887.8538 509484.3059 591332.586 596197.1295 557188.201 643741.2801 640930.4137 683678.6597 492606.3976 1289499.271 521850.4957 Protocatechuic acid 3-O-sulfate 29793687.35 157028299.5 1377049088 729727553 2345559.107 1574154.92 1404978.132 1124550.129 1631051.239 1584132.411 1827325.951 2312246.874 1650804.579 1848798.195 PS 44:8 2468978.729 1082967.259 3207329.443 5507595.592 11555973.76 7469395.734 1462272.85 302621.7493 5092285.443 1744740.283 2455967.17 3745060.904 233908.2115 1575955.024 PS(14:0/5-iso PGF2VI) 9007297.856 5748388.699 10898687.43 8952989.897 9308972.742 6336418.938 6675319.371 6669079.889 8658410.112 6034654.741 8713375.804 1249270.924 4994338.722 6387818.439 PS(14:0/LTE4) 21819.77889 19400.71239 20901.44999 21417.13702 34533.91716 32132.11174 28131.36567 31735.19394 29444.34901 31528.54584 31110.81748 29864.31897 24327.14819 23531.45706 PS(14:0/PGF1alpha) 2877656.614 1518265.822 5432468.257 2812655.589 3481674.389 2116787.864 3265530.793 1989522.639 2639386.744 2022923.025 1737478.945 562835.6193 1647776.302 1990741.442 PS(14:0/PGJ2) 3652602.146 3938442.115 5025822.372 3601304.786 2797682.974 4712637.487 3958548.976 6399766.819 7315318.097 4451790.883 14726255.61 9589084.791 2569087.104 5644027.95 PS(14:1(9Z)/14:1(9Z)) 92870582.08 59680093.71 125956599.6 96329573.61 89143722.76 64135570.59 95838894.16 66745642 92700077.1 66096211.41 94458794.85 93506495.28 60055728.43 66271171.47 PS(14:1(9Z)/24:0) 15085892.89 44142349.53 18490494.08 42156080.82 37383109.44 23306330.24 46324473.41 49580117.5 43839851.24 44381166.96 52009477.1 45664477.62 73796569.16 68087805.01 PS(18:1(11Z)/TXB2) 4068552.892 7122160.274 3978583.738 3686628.802 4318922.074 12653805.43 5408881.301 7253259.137 9797007.985 4985039.815 6910535.552 1120948.875 14132235.94 7837343.689 PS(18:1(12Z)-2OH(9,10)/18:4(6Z,9Z,12Z,15Z)) 38248.1615 34610.408 36950.23771 36767.50893 348430.938 344229.4125 548835.6411 56276.9479 384694.6928 1011443.892 476114.9347 654181.7931 43070.35912 41685.11496 PS(18:1(9Z)/20:3(6,8,11)-OH(5)) 6487558.186 3628642.999 7917548.493 6790971.7 7499710.514 8338522.853 3273017.592 1851394.835 5983516.239 5481612.173 3364793.485 2309229.861 1797990.009 2169970.304 PS(18:2(9Z,12Z)/18:1(9Z)-O(12,13)) 1226151.855 2653335.604 2431142.513 3083996.992 3208879.265 3416797.991 4025273.588 2476850.198 1235617.376 431470.0724 2763312.207 1095913.156 461153.919 2790303.115 PS(18:3(10,12,15)-OH(9)/16:0) 251902.6538 184500.568 377693.1621 306887.5312 227065.9507 165123.0402 198904.7317 176337.9969 220024.368 179161.6528 150762.5605 180368.94 144548.8039 181040.3787 PS(18:3(9Z,12Z,15Z)/PGJ2) 20273.22352 18981.54993 20264.79381 19724.23015 199513.8633 29699.65402 25447.3895 74895.78615 28061.73899 29110.38145 30347.34843 29476.19384 433121.4763 128641.8566 PS(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/20:5(5Z,8Z,11Z,14Z,17Z)) 15920.31484 12778.93265 12063.75368 13383.49894 8780.304015 9258.072387 9925.681504 9364.316225 8785.089411 9207.626924 9700.870786 10188.47471 11146.22952 10099.39427 PS(22:4(7Z,10Z,13Z,16Z)/18:1(12Z)-2OH(9,10)) 1849233.789 2632188.567 2261087.92 1024132.215 2166988.251 2083898.804 6156868.391 3737587.874 3878228.051 2036546.213 3762553.58 2229378.086 6782610.244 7627882.408 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/PGJ2) 3499005.019 4849371.495 9592745.541 3996919.43 7343276.447 4922094.478 7965817.652 5583072.263 6835040.028 5487239.977 3536558.763 6796195.567 4160066.08 4764668.87 PS(24:0/24:0) 82572.96988 124878.9921 17250.08354 45845.60649 14191.28845 14328.00618 13155.18872 13156.33547 14314.27665 13445.21526 12529.64739 12828.69076 13250.32641 13624.91485 PS(24:0/PGD1) 5566859.888 5058836.548 2217735.717 2048721.729 5566470.57 4635484.601 3746892.297 4564052.489 6114422.775 4614874.154 6323329.973 1940318.58 4367681.062 5292556.656 PS(24:1(15Z)/20:0) 1587690.508 1271857.715 1213609.303 1258843.987 1937871.042 3283995.699 2131549.675 2589797.401 1128255.614 1728638.218 3822990.928 1728880.282 4010849.217 6526641.57 PS(DiMe(13,5)/DiMe(13,5)) 1124324.277 2386886.49 1564456.892 2864726.761 750409.1254 1400348.31 1724908.879 1611375.336 1656403.533 744296.2858 948193.7705 254262.3038 2310976.331 2522982.6 PS(PGJ2/14:0) 3658500.252 387048.4429 2518239.808 812865.8154 4064061.96 28336785.65 8188790.456 10705677.02 26762625.63 353330.4262 13078651.06 344008.7144 371303.5592 370893.788 PS(PGJ2/20:0) 4111747.506 5698059.603 2431096.063 3301592.922 3909202.389 2623613.248 6156868.391 2492961.875 7092263.343 3180928.573 1744776.58 2229378.086 1795240.398 3248822.983 PS(PGJ2/22:5(7Z,10Z,13Z,16Z,19Z)) 7379666.37 4849371.495 9592745.541 7168829.421 7343276.447 4922094.478 7965817.652 5583072.263 6835040.028 5487239.977 7450994.966 1390313.373 4160066.08 2751750.966 Ptaquiloside 1044138.802 769811.3813 1559700.479 1365160.095 3507133.726 2350550.207 1869046.213 1268154.079 2173431.504 1633229.031 1616447.513 1526931.235 1151759.383 1005976.854 Pteridine 206625.0594 189460.9222 201274.9179 209478.2278 338718.9158 293823.6037 297512.4402 367859.3551 278995.3424 406260.4445 585302.8414 277962.6788 272984.844 260068.5647 Pymetrozine 111933.2805 102662.9877 108632.0145 112610.3533 182305.3608 153393.2992 158483.2737 175899.6425 148879.6229 168232.4955 168047.876 151448.4172 141058.7852 140091.1291 Pyrano(2,3-c)pyrazol-6(2H)-one, 3,4-dimethyl-2-(2-thienylmethyl)- 1148512.424 1417297.06 521157.6834 1011249.546 8397597.837 7433514.658 3944361.466 2896436.428 4077919.903 3220821.108 3382985.51 3465545.661 2574248.038 1840485.444 Pyrazin-2-carboxylic acid 310423.9051 354930.3334 333860.1433 244346.0311 381831.9898 251846.7975 1375195.375 190184.4308 653852.929 328861.9617 280970.0352 411312.1127 62378.67794 387257.8134 Pyrazinamide 3898114.262 3983350.934 3608963.202 3815165.891 5082309.587 5280240.675 5189496.183 1527793.559 5394311.201 2019201.97 624022.961 3083809.602 2493971.749 1611872.383 Pyrazolone 292509.8752 197202.8398 282036.2346 416992.7952 1290780.783 425524.6817 2481343.496 647814.8862 1365220.646 1275506.874 1263992.258 1124893.039 1375425.944 1162874.913 Pyridoxine 6165926.274 3375038.856 3419823.515 2873180.659 5972377.508 3989353.729 3999781.435 2771973.765 2825207.594 2754140.625 3670736.703 4125618.923 2037007.757 1982211.58 pyrimidin-4-ol 2238230.446 2269271.28 6225473.355 2648823.233 2530114.267 2470244.12 2640154.299 3013464.07 2415491.784 2796515.48 2348968.558 2297231.137 2238976.005 2269784.58 Pyrimidine 1405751.517 1468713.052 1536791.282 1465595.586 1660917.371 1822240.248 1927398.264 1536845.369 1922698.571 1606778.5 1303891.564 1836052.185 1787740.076 1728950.305 Pyrimidine-2,4,6-triol 959941.9071 911025.038 979104.0922 899817.2096 1325189.627 1216356.247 1200410.154 1366698.303 1257527.646 1202145.086 1253630.017 1303858.177 1078096.075 1012963.584 Pyrocatechol sulfate 1108233.431 251966.2751 631990.4466 466641.753 1778215.272 1247826.636 1190132.407 1009664.651 1065960.14 278187.9566 1940002.252 864590.2761 211572.9866 458648.2329 Pyrodone 147323.4978 285937.33 290499.8573 1136333.742 60940.30511 28685.33556 30792.85093 1055636.997 29446.24053 922400.26 914903.259 28268.98822 27189.87071 27562.24521 pyrogallol_sulfate 136723.6286 77081.40134 45031.74799 45980.61854 798281.4817 495544.6473 335771.3417 196953.6231 172661.8175 187803.7435 116417.5144 109182.4527 74672.74652 74262.35052 pyroglutamylmethionine 8580605.839 8962227.213 3239706.232 5995391.841 16607375.86 14204824.63 8840679.236 12458891.97 12864288.03 8022090.138 8849748.951 13272036.28 8998695.419 8686312.993 pyroglutamylphenylalanine 157159.9854 110677.3846 103188.6249 99892.33378 97583.90617 109469.9894 89719.69179 87775.16124 87608.16713 169094.7604 116000.7257 219919.6009 76391.44241 71192.54192 Pyruvate 11499894.75 5621154.203 9483339.337 6822553.969 18255357.64 15330430.71 13444959.64 10396207.12 17338914.01 17075684.4 9817926.062 10796889.94 9120315.215 4642420.596 Pyruvic acid 22807511.85 23944545.56 64166745.52 54347012.1 39769820.55 48497481.26 63095657.87 43083489.69 71961051.7 73517035.76 44310210.23 33526813.1 56784974.02 38316286.73 Quercetin 3-O-rhamnoside-7-O-glucoside 114767.4859 99783.7394 138286.7562 116342.003 136149.7787 119587.5023 119746.5579 115759.6878 137854.7682 121109.8153 177386.9469 208593.7446 103123.2584 111692.27 Quinoxalinedione + 2Methyl + C5H11O4 2245216.094 1345109.92 2318019.611 2340884.008 3063852.454 2628280.172 1777392.011 1398271.853 2259275.468 2454693.504 1820889.558 2029188.323 2218801.633 1841667.317 R-4'-phosphopantothenoyl-L-cysteine 7267537.467 4253589.789 9925716.107 8391448.735 9266464.893 6026844.939 2058801.65 2433331.03 8026523.41 8339895.675 4112356.891 3752124.347 4274817.329 4999123.175 Rangbatti 100229687.8 83226403.64 99711061.87 93426626.83 96465600.81 97476992 55260815.74 75434205.75 82170435.96 67375471.71 110621453.2 124917804.6 66635796.61 65435146.59 Rebimastat 949743.998 153378.1179 1567048.937 1976153.579 503642.9079 145782.4127 1093430.334 214352.4156 170186.3104 1366915.66 127215.7278 1350900.01 115248.9836 139990.1909 Ribavirin 5'-triphosphate 3323025.261 5432286.112 9707656.823 4694117.571 980857.1693 978731.4818 973476.4701 999125.2862 909291.0607 910180.7369 967221.9955 1007703.136 792503.0564 843913.5788 Riboflavin B2 133069.9395 127380.6306 126149.9789 123616.6548 245398.5085 163493.6731 188283.2641 200214.9177 186660.1224 300457.7246 351717.5369 209580.2007 167054.4016 159408.3831 riboflavin cyclic 4',5'-phosphate 488163.6624 362948.4661 695984.2405 546609.3584 466639.7157 388294.1679 358083.1871 377878.7301 451313.3306 424118.015 579180.72 616127.3305 493474.9829 511252.3467 Riboflavin cyclic-4',5'-phosphate 116102013.7 115670956.8 81243491.96 121524668.2 80080468.19 143300573 247076872.1 173927814.1 156887980 216887240.2 143332935.5 202575434.8 110923299.5 126532907.4 Riboflavin reduced 3397215.493 2469904.214 5467867.524 5164161.685 4372967.25 3380235.673 2095567.429 975939.9372 2574361.28 2630247.25 1707862.795 2251272.631 1417596.572 603128.4916 ronifibrate 1423705.992 1337558.648 1379700.22 1394457.473 1559764.963 1437774.983 1638305.599 1072419.337 2455047.968 3402551.566 1674122.712 952749.5144 6495734.532 6117909.214 Rotenonone 27688789.35 16314190.6 39715016.42 28365655.64 33629179.66 20047621.79 30043416.5 16994134.6 22529959.66 20197566.1 26662811.47 28490751.45 12284601.45 15993571.89 S-(1,2,2-trichlorovinyl)-L-cysteine 1678158.37 1942674.53 1585169.25 1628613.354 2034119.606 2352156.494 1791368.224 3768745.898 2138304.722 1661679.98 2037687.507 2331156.397 3508689.84 2025297.284 S-(1,2-Dicarboxyethyl)glutathione 184928.6208 46508.2322 66056.49511 167508.5515 1463337.243 402862.4156 71179.78557 258989.2609 420023.7056 301299.4863 480334.1755 235308.3368 164147.5094 373101.643 S-(1,2-dichlorovinyl)-L-cysteine sulfoxide 1059548.459 2551209.138 442630.5946 4203898.534 310091.9958 632995.2912 375125.032 277848.2804 304524.7208 260532.7314 346215.9162 377854.2846 468340.0995 227282.0364 S-(2-Carboxyethyl)-L-cysteine 932483.1749 1309482.213 1048501.755 1070217.348 44955.47675 44337.23897 44770.7253 42034.75989 45345.0815 45552.69162 39691.69355 44696.50463 42162.66428 43161.30598 S-(2-Chloroacetyl)glutathione 23767095.29 23681762.23 20333026.74 23612384.7 25367788.46 27350624.67 14828731.48 31763613.49 22735684.4 24975971.37 32370987.05 23537663.46 28923016.19 22058629.22 S-(2-Chloroethyl)cysteine 206549.6636 121101.0218 210698.4139 175516.2004 632537.1668 175980.4479 1017454.36 332995.1959 682675.3757 431101.0021 100444.2801 245918.0817 131140.9247 200006.9775 S-(3-Oxo-3-carboxy-n-propyl)cysteine 8108911.171 11421124.43 12591976.62 9202090.001 15415951.79 13386752.55 68272875.93 24423559.36 33434019.5 49153590.72 16767982.98 37087254.21 9820167.881 11265597.47 S-Adenosyl-L-homocysteine 3464202.967 2274553.949 1906237.649 2075296.187 2087377.752 1912189.428 559983.3176 495275.4645 623681.7843 566495.2125 1046809.067 1518525.269 1064115.557 594510.7284 S-Allylcysteine 25864.74818 19545.44906 18451.57883 19529.28705 17282.77294 14222.84571 17014.10324 14709.78322 16529.68629 17018.64567 17597.14228 17583.57783 17048.22047 15447.0801 Sapiol 4805864.983 5188706.068 2738039.714 1553017.171 664648.2506 785830.2096 1015752.235 681912.1321 800323.4062 694631.2275 851691.9024 525835.9673 799991.0841 947907.8034 S-Carboxymethyl-L-cysteine 61093.96337 44212.88249 74487.00236 58194.79489 77771.70633 80110.2671 86996.46139 52168.54613 53973.11198 46109.18359 78585.38455 68784.63834 40548.72204 42340.71414 S-Cysteinosuccinic acid 37044867.02 20291063.48 38609477.36 35106134.66 91658386.05 66087674.09 196417950.9 89028770.76 67353616.22 71620429.2 67099241.26 124097088.6 43617806.02 61142124.39 Sebacoyl-L-carnitine 2003665.531 987289.2633 2915720.375 1810960.792 2400008.841 1205878.738 2839997.986 1086891.226 1891733.984 1069436.157 1663407.62 514986.2329 533489.3476 533896.8137 Secnidazole 270790.5681 225201.2242 269823.9565 100900.2633 280735.6544 56496.80668 95509.25621 184375.3137 196490.5118 279931.29 59095.77829 102289.9662 82861.34751 283094.141 Sedoheptulose 418484.0063 413224.2342 412623.2046 366257.3531 455029.3445 281860.4919 560496.6826 405017.5301 356208.7092 517235.4626 564839.0846 456325.0974 437355.1601 387481.8081 Sedoheptulose 1-phosphate 1593229.629 1778566.891 1650193.035 1607733.342 1878302.905 1968020.542 1919650.046 1840243.312 1913852.377 1177622.994 1993711.536 1698808.457 1517624.812 1676217.653 Sedoheptulose 7-phosphate 359339.4456 371533.6648 366389.6882 356075.1468 393236.7248 453258.0451 420299.2866 434253.5184 441313.2189 1075513.314 438662.99 411404.2729 733146.3702 699936.4163 Selenium dioxide 174046.4522 140926.2464 221387.6537 272063.5492 202769.8925 107529.9788 189040.2062 223651.5407 153461.9423 953650.8786 162959.303 190415.5836 238949.3203 114536.3262 Selenocysteine 251610.4974 214354.8042 368323.748 313132.1066 289776.0402 263989.1148 280022.4527 214849.5897 281172.7101 240479.3717 337387.563 363809.7598 221783.8521 230600.157 Selenohomocysteine 5363466.867 11171418 8546134.825 20360512.86 33167562.35 9697144.874 60566910.49 42426466.01 66386002.51 72815315.41 101717198.1 138479266.1 16572834.02 32783115.89 Sesamolinol 111220.1218 104187.947 103037.669 115769.0141 171791.7653 145213.6403 157845.313 165691.6911 145945.6168 161724.1353 191066.0749 141128.0297 141976.1681 135901.474 Setipiprant 4067297.771 1395410.957 776685.8901 828389.4864 10612829.07 3720291.823 9477900.976 2366092.063 2959679.78 11458973.92 1324562.036 838453.1642 1702257.28 2373069.372 S-Formylglutathione 563043.2804 227686.6518 338557.8488 239004.7768 1131340.107 373818.1434 128438.6778 549921.8275 683813.3096 514901.2304 985167.6234 1141598.347 238909.9728 289393.8094 Shikimate 139826.9451 136076.9444 132630.5037 129771.8053 215101.3485 170891.7415 196065.2659 189498.9482 215266.3894 210109.8075 211081.1521 194693.4662 186517.0103 196523.0385 Shikimate-3-phosphate 6803009.132 5475234.487 10491803.6 9194763.012 3910103.766 4777063.781 6545340.689 6299712.984 7943472.525 4952219.159 3600689.591 4973436.648 1956258.848 4113450.073 Silicic acid 7389758.81 5434791.342 4300191.149 4177069.334 3012926.644 3071754.936 3369003.284 2875365.222 2835161.719 2768694.947 3111772.016 3020458.486 3169281.061 2854926.572 Skimmin 10103486.96 3985443.613 16472268.09 17332245.24 36835204.79 24209466.06 16774607.73 12937298.38 17096286.95 14284333.73 9454816.592 9067975.667 6905655.428 12068162.43 SL 14:1;O/10:0 412210.4795 1853196.21 793030.833 1684885.428 926434.8616 1964976.601 2097542.748 1733199.52 2807945.168 1269801.055 1994562.815 753475.3391 3251442.402 1292527.703 S-Lactoylglutathione 4595431.694 2364408.156 6139381.848 3827778.251 10282550.33 5982900.033 5512309.975 5173034.559 6174100.923 7674069.493 7524574.965 7578844.757 4954470.533 7094578.877 SM 22:3;2O 330002.9531 1162295.544 657675.2859 1061342.545 685975.4491 712386.0443 1078168.021 775313.4753 1316093.613 1506594.074 854323.0965 784559.7763 2089331.978 928835.8848 SM 26:5;2O 2236886.631 1078764.394 4346740.839 6422792.768 8959264.43 6351042.542 2044574.566 1220458.955 12761650.93 2825541.75 10320062.19 5205162.599 5351940.811 2378189.632 SM 30:1;3O 2807258.486 1627504.171 4647998.987 3115455.321 2788186.719 1775628.596 2969223.574 1390940.472 2655991.38 1364146.038 2569552.268 3302400.711 1001923.268 1427826.086 SM 32:1;3O 4560803.852 17829077.4 4679208.059 25591092.58 36157484.12 29338007.26 8221531.89 10909629.32 17534842.68 10926338.67 6112148.081 7537525.307 8962040.194 13549714.4 SM 48:3;2O(FA 20:0) 1175652.67 2255058.207 2386408.522 3944224.249 8227197.912 7038084.592 7959105.023 12363227.32 12180865.86 12396655.39 12455705.57 13558814.21 12317859.22 15405701.33 SM(d18:1/18:2(10E,12Z)+=O(9)) 816995.8053 641882.3088 1164806.496 914811.1328 1000998.701 837891.6679 710768.4633 845647.3448 913637.6725 884825.1395 1172753.814 1216740.178 999663.3722 1049042.245 SM(d18:1/24:1) 26392.93537 23925.78595 24502.81828 24826.53477 40031.37741 35430.31513 32798.46175 35690.15853 34110.34242 36547.58051 38418.73268 35267.83545 29134.18692 30522.55501 S-Methyl propanethioate 1490365.669 975124.6543 208166.2673 186965.4814 221481.0183 186868.1262 211572.905 169260.1827 205218.6379 205693.7438 190256.7328 187093.4329 164329.7072 167366.2934 S-Methyl-5'-thioadenosine 9210151.305 6295197.997 12134287.84 10413119.57 12712069.38 9190543.993 10478537.85 9306746.483 15288212.91 14523444.43 12870363.79 12474731 9345881.334 10308931.96 S-Methyl-5-thio-D-ribose 1395897.082 2290382.359 1744771.581 1968202.092 1016420.784 850501.2707 1008735.654 1400821.618 1022665.462 981690.2466 1140864.286 659273.7198 756396.249 717834.776 S-Methyl-L-Cysteine-S-oxide 124068.8201 117988.0606 134373.8592 128713.0855 194701.1064 169254.3082 172914.7378 193212.1865 189564.0237 161777.6258 223127.3138 176874.7299 373111.5049 95894.46511 S-Nitroso-L-cysteinylglycine 3002582.749 4980926.431 2867602.428 4303369.017 16271422.82 17760475.01 4732499.332 5571830.95 9458345.793 9496764.84 7849010.932 7717517.396 4859173.269 4397503.985 sorbitol lactate 6105514.941 1678627.543 8832206.125 5184178.462 50996832.42 28215839.92 18872504.56 7431577.93 35429841.44 39465260.4 13437042.39 22290190.81 5255569.319 11879176.73 Spermidine 1602947.438 3316484.429 2227622.726 2032029.912 965272.8339 1660993.85 884801.8928 2058014.555 1756780.755 1465906.762 952691.8113 895760.2365 2667739.178 2023939.937 Sphingosine 1-phosphate (d16:1-P) 210653.5011 142199.196 489466.8505 303027.5834 149855.1811 137045.9522 124396.2341 123513.7434 270538.2898 156683.6556 277992.2189 193715.0961 133345.0614 114151.5328 S-Pyruvylglutathione 6535613.893 13983998.88 8761608.041 16008003.62 56310604.91 62278683.08 27793056.91 39513726.07 57754397.44 53340194.82 55679048.45 57080849.77 55047963.1 47859562.96 Squalamine 74009.75809 66704.73036 96046.22149 87933.77328 114595.8311 100056.9227 103396.5295 97726.27905 100566.9008 103420.0643 100920.2367 114851.331 90558.28132 90117.50824 S-sulfanylglutathione 12572982.79 11491707.27 10327470.99 8842294.433 5150049.697 6984094.711 12086806.34 7314137.623 7601170.093 9901257.496 5086883.604 10392161.34 5485813.033 5803866.407 ST 28:2;O;S 39096.39243 33973.93682 35754.28829 38502.48585 46238.76073 74326.97624 31900.45817 31216.89894 38610.63192 33987.218 90118.69078 51146.57498 26373.90539 28158.15111 Stearate 114125319.9 60872232.06 136143472 180166381.9 296449207.9 221363170 88363579.12 51634290.44 146234536.3 49931784.72 364823394.1 453713672.3 98888436.57 56643607.04 Stearic acid 269247295.3 134266628.9 189290947.1 302938950 432839412.3 298966027.2 167000118.5 190044748.7 436410047.8 153536838.6 527413184.3 427901252.6 321803793.6 187151033.2 Stepronin 46492644.74 29279905.73 76750425.99 55001006.62 47662410.42 34431411.6 107751663.8 54740695.02 50995635.48 63197094.59 48314896.44 81476858.43 29169864.38 38002136.38 Stigmastanyl-phosphorylcholine 76151.3426 64242.58482 94297.41167 81758.34592 551486.0906 261750.6226 191647.8784 725748.3937 267422.8928 272611.2464 208389.2441 165221.9547 165199.677 56298.55577 Stipitatonate 434960.3057 1888587.98 409671.1336 308438.6357 1658109.499 1056325.321 1383811.309 1208872.721 1355674.746 1322795.277 822890.2002 1033271.329 802667.9348 1118835.768 S-Trichlorovinyl-N-acetylcysteine 252652.6673 248729.3377 253857.8307 259238.1021 263292.8679 275562.1839 280282.3758 278179.6959 265625.0605 271124.1242 270661.9126 274482.6792 265564.1229 260471.5454 Subericacid 296889.8951 265237.8733 226280.5153 277247.3902 471386.8421 342707.2022 447241.5587 361303.374 312455.8134 355435.6246 382313.1483 267772.3516 320406.9829 298900.2556 Succinamide 18471.24422 17137.57324 17137.66315 19328.30684 28536.79876 25807.76584 25993.34831 28722.13473 24350.73021 23600.10038 25596.38944 23797.55822 21670.82356 22796.28486 Succinate 6922615.492 8408785.067 14021054.33 14817400.76 10036584.84 7618084.424 6406017.488 6076201.925 9963676.492 8845388.363 7367044.184 7717665.642 6979065.095 6570436.203 Succinic anhydride 46663.98777 44521.60611 43493.59857 45810.498 71423.84597 61420.93463 65977.95144 66872.60035 61353.66003 67350.8535 73625.63168 60402.08535 58628.42108 56076.0849 Succinylsulfathiazole 8707111.833 5356946.644 14490155.57 9601274.457 10447957.51 7714316.327 2782313.357 3640335.01 11079321.09 11829392.54 4857769.089 4883339.17 4880460.723 6935626.772 Sulfanilic acid 5206806.45 3673260.982 8540827.911 6461098.136 7317387.51 4162591.365 1549636.907 1882916.758 7287539.572 6414567.668 3300983.236 3148367.244 2797015.691 3723269.228 Sulfoacetaldehyde 76826235.56 55452448.07 87953548.23 62549478.19 64288225.43 62121592.9 56473260.86 53845146.22 94290790.2 89047938.18 62929600.56 63359496.12 68695048.94 78225148.7 Sulfo-ciprofloxacin 667357.6814 770855.3487 715216.3541 696813.7394 814082.3088 852967.1664 832002.728 797586.7575 829489.9388 417410.7014 864101.9964 736286.9464 571919.3607 759121.249 Sulforaphane-cysteine-glycine 11301562.37 13819695.57 13885399 17735309.04 29772711.41 30960308.33 8499427.348 29201366.9 37214080.13 37208718.68 36477151.39 29966792.63 32012583.29 38181363.56 Sulofenur 14904984.19 13693747.27 8999067.383 9370691.815 24888308.25 23438760.77 9763877.235 16510225.97 13308971.16 9254419.852 25818695.86 16087283.45 12375111.07 11170229.81 Talampicillin 3588540.788 2184087.42 5447363.994 4848871.522 2331328.3 1651849.346 2175754.648 4058504.601 3116665.104 2365270.09 2941770.695 2725317.614 2272781.525 2658909.261 Tamoxifen 1063621.565 540985.4057 571592.6528 957643.7316 691478.6373 1766779.609 954329.9935 528717.5383 1047574.149 1086454.989 1527754.013 352618.0738 376127.0848 435729.047 tartrazine acid 51419598.67 34294242.36 95078590.47 66777331.12 61259306.82 41761320.54 83064414.89 67822264.37 68073650.54 65780085.18 64938164.03 62361744.17 40254285.92 37497363.43 Taurine 15722765843 11519799850 21311974736 16878197074 20835581500 16047353931 33052331652 19519033891 20538828736 26684390151 17543071492 29865256400 11818776488 14135138683 Taurochenodeoxycholicacid 737937.5435 797662.869 711294.8311 321907.1189 63360.09648 373945.1312 355852.4089 54610.41601 33232.50881 29665.76906 359883.6732 231525.3132 99954.82007 44413.76275 Taurocholate 165693.7159 142022.9786 211905.5143 211770.1021 188744.7593 170409.8647 175066.148 142907.7408 177974.9887 173647.2467 145310.2027 143877.2471 147623.47 156093.6297 Taurodeoxycholic acid 4380600.078 2546004.006 3270172.67 1784303.219 4134468.84 3247391.363 2316557.172 3238387.877 4465208.312 2911372.776 2655031.686 601905.1222 2334049.241 3092111.974 Taurodeoxycholic acid 3-glucuronide 165448.0764 97522.77909 1769365.775 134770.4259 597377.6687 88203.96327 118094.4987 119459.3674 112315.6898 137973.8466 84101.56887 957324.5069 83922.37105 105218.1011 Tauropine 7408683.864 5494701.655 11377298.92 9185830.682 5034165.881 3979277.45 8728703.829 6873094.634 7135052.605 9749673.004 6302885.971 11924359.19 5599279.954 5489015.828 TD8600000 42305600.12 37339673.77 16899480.34 18080187.02 51225786.37 48731522.02 82900171.54 59517233.06 50418876.22 72428653.13 46396925.25 77768926.75 37123291.58 41118816.7 Temodox 10708897.41 7157940.433 19435622.61 11909757.72 14312935.4 9420031.3 22365862.21 13028917.17 12593690.06 14358518.37 7789530.857 20811386.45 4810700.328 7149486.591 Tenofovir disoproxil 33941174.74 13762593.26 47232411.39 29387245.63 22165105.06 12266236.74 36090500.44 19256170.84 22279615.66 16952959.89 30458964.84 33868505.9 10303194.75 16031468.24 Tesofensine 12223903.89 3897311.582 10769786.08 8076960.027 2358766.786 1060665.031 270977.6707 395405.7506 1162930.544 320949.1982 1154343.733 466251.2927 373434.7387 386887.6704 Testosterone 1728973.373 974746.1509 993469.7167 916522.7041 1074865.625 745157.6586 1181452.858 945709.3412 1024828.41 570907.3033 924772.5303 688313.1978 710365.0299 375540.6025 Tetracosanoylglycine 894992.4245 784778.3102 1417925.639 1326967.779 1441786.069 1660654.514 1597666.651 1939045.651 2144366.54 1421883.473 2357591.031 531615.1462 2604576.207 2410098.735 Tetracosapentenoic acid 1029073.987 1067177.357 2541848.382 1287664.288 1536941.32 412625.6898 1118570.072 1215436.773 1535709.695 1105417.043 237384.5809 881007.6815 367862.7048 1174157.725 Tetradeca-2,4,6-trienoyl-CoA 24816.19421 23755.19578 23554.03913 23418.65048 34427.43691 29377.63879 33936.93519 25749.97348 34361.9916 26033.95893 33330.58407 34401.00624 29048.458 29728.04682 Tetraethylene glycol, TMS derivative 13196.33392 12323.50649 12308.78403 11825.97719 20686.07712 198838.5444 19326.32111 15053.30508 43586.07804 14067.35802 13782.09405 16814.68228 35790.3135 53801.39142 Tetraglucoside 5857159.893 3203058.127 10056087.1 8137408.711 10960695.31 5879338.945 4069268.922 5140945.62 12665628.07 12200562.28 5258717.086 4701467.605 9436768.858 14837938.2 Tetrahydropteridine 107483.2903 130134.7671 91647.91641 132810.0125 102456.049 92909.94994 112251.7313 126478.9802 104683.77 109176.4469 184855.3261 141683.1335 148665.2061 88739.27665 tetrahydrothiophene 367879.4096 458984.785 478300.2989 503747.601 554753.4151 402456.4735 590124.6704 604051.3446 581411.7253 503805.6894 278010.4214 674592.4148 621799.452 599673.4053 Tetrahydroxy-3-methoxyflavone 23616.97314 19820.51961 19862.20733 18860.76756 30991.39968 29634.21041 33158.88532 26093.22205 33389.54404 24125.3024 25055.00051 31583.65527 27344.71949 28303.94804 Tetranor-PGEM 6673388.397 4841353.011 6679893.623 9443154.582 8133736.512 10412749.93 10601079.52 9835882.808 9628075.484 7293037.379 8809214.957 5652733.782 10887099.88 8993133.811 Tetraphosphorus 8427520.486 10470855.22 8947211.539 8683647.374 2867908.175 3611606.501 2731661.12 3381790.51 3921052.921 3312051.395 3450296.79 1210231.695 4721291.163 4254385.314 TETRAPROPOXYMETHANE 965919.439 662790.6611 912012.8998 716822.733 1951204.754 1824710.334 1597833.013 1299767.018 1298277.55 1325096.29 1425223.747 1422383.437 850714.7011 1223584.679 Tetratriacontanoic acid 111788.1234 97077.10319 140505.1884 128803.1328 231550.5331 246386.7069 1076148.449 2233568.087 179097.2925 275742.4595 112651.4972 176112.8327 295815.9204 269315.1462 TG 8:0_9:0_18:5 1317253.398 1099063 1571631.191 1376146.886 1436667.997 1193053.358 1578607.076 1328827.66 1502415.583 1393009.467 1394647.088 1484196.444 1082573.003 1271711.129 TG(14:0/18:1(9Z)/20:0) 733134.0198 1145781.895 4481359.36 2027972.346 3910586.703 2859793.612 1491902.839 2685739.836 1524894.272 1213437.564 271145.1325 266951.9081 933748.6639 131119.6233 TG(14:0/O-18:0/22:1(13Z)) 1729030.618 3462128.011 2272830.022 2312577.964 1094113.944 2072262.905 1383430.373 2270821.395 1715379.139 1515243.913 1652525.33 681243.1212 3115231.126 2484167.298 TG(14:1(9Z)/18:3(9Z,12Z,15Z)/O-18:0) 3290112.723 5045787.384 4823885.675 4431662.448 4064292.386 5423661.389 4491272.7 5557634.223 5176880.058 4907342.428 4610536.15 832610.4977 6593409.612 7527458.096 TG(16:0/20:3n6/18:1(9Z)) 246048.8738 945642.3855 648679.9049 1159294.172 321481.6135 926733.3694 566968.2541 400064.1772 1231560.942 318080.439 1190065.148 566952.8609 1019156.098 1967351.312 TG(19:0/17:0/i-24:0) 226730.3026 755028.3853 3260388.434 2635051.045 359510.8685 294504.6376 280621.4367 270110.126 340658.5799 294145.839 303299.2544 310278.3808 235176.8103 238427.9558 TG(20:3(5Z,8Z,11Z)/20:3n6/24:1(15Z)) 2602436.281 3867981.989 3249606.243 3463008.263 3326916.306 4105653.945 3988552.369 4768172.145 4128881.232 3698986.887 4380226.868 702454.0556 5614333.032 4886423.503 TGASO 249345.9494 186010.8095 215915.8385 252128.448 413839.5158 414812.9893 268569.0957 151713.0949 256268.2422 152220.6284 344153.9705 232517.6286 131584.2552 125518.7145 Thaliblastine 1832970.663 3177218.532 1801599.23 2196645.044 891596.6763 1478084.393 1039968.671 1045969.597 1508245.167 1057634.867 637390.3398 898462.3786 2462647.577 1900336.211 Theobromine 1091362.983 646161.913 1038895.361 265892.0929 2073742.559 2097123.424 3028999.63 1748234.35 1642744.883 1390811.884 2537811.356 2657717.593 925523.5347 1467465.321 Thiamine hydrochloride 650809.4805 1065762.081 917805.9998 1407692.423 179677.7884 149721.6359 207017.4054 147240.7646 175199.3568 154622.2406 170879.4626 179434.2075 134778.0861 143882.5943 Thiamine pyrophosphate 1644768.176 1444073.659 407003.6834 494469.2283 45339.40361 39875.2666 40549.78566 40215.45711 54151.053 38007.46215 38626.0045 37390.04403 36662.00804 36659.37183 Thiazolinedione 6648546.993 5288206.635 587005.4306 6386741.134 12755939.39 12334792.36 10326231.34 11390026.35 11003519.75 11601128.39 11811174.98 12547938.6 10052051.08 9457574.886 Thiocyanate 64627339.45 73143736.11 136588497.7 102503075 55259158.11 55125971.96 102441559.4 70068168.64 65828193.09 81992915.36 96774071.31 116360541 67295689.28 83975578.14 Thiocysteine 8778677.157 6733610.282 8116677.813 10630262.06 20936695.32 13223938.39 11543828.5 8411682.218 21181056.69 18861320.3 16676355.99 13987608.82 9564982.644 6073875.379 Thioguanosine 5'-diphosphate 14390073.23 15942698.5 14890808.72 9880624.473 23219363.09 19609623.96 27215515.77 21510596.73 22268023.54 24457776.13 16069076.06 14632618.79 16840243.71 17830743.25 Thiolutin 15345470.62 9832934.551 9567272.625 9593952.957 7648334.423 5504000.171 2082103.199 2272675.911 3679264.857 4492496.326 2494751.584 1675853.282 3922954.521 4529476.136 Thio-NAD 308958.5308 1126335.868 406779.815 1188286.516 12505650.88 16893246.06 5773142.452 6627123.155 16252427.46 15936442.27 15534452.72 16721238.23 21367918.36 17601907.43 Thionyl Chloride 1020701.051 738740.3181 1290062.89 1428579.328 3439261.937 3988470.705 1007289.377 261036.8727 363521.7908 305923.1332 248931.0776 376576.9132 265093.5146 195199.3186 Thiosulfate 6445007.474 232247.4523 3726359.482 1793177.723 489380.9392 973993.778 948276.9117 716202.6579 2049410.28 1941831.113 1401634.027 1321506.084 364958.841 536013.2557 Thioxanthene 1657054.188 1952017.459 2625490.512 4076616.329 2282997.451 3057820.851 2558143.325 2094724.595 1274798.464 1249370.684 889629.937 1008355.157 992487.67 534304.9045 Thioxanthine monophosphate 368386.8549 794054.3901 346915.894 329082.5841 556397.2623 521391.2226 661729.2914 892090.5898 848877.5835 746721.674 988314.3965 683384.0675 1230153.267 1393979.2 Threonine 109077848.6 92139685.81 97454587.41 98557129.77 284477895.4 258028842.1 153424189.4 176451749.4 183189285.6 164315154.2 182441104.2 226870546.5 112905543.7 107787677.3 Threonylarginine 394254.2797 272570.3503 465218.8077 381682.5704 355367.0377 277844.0001 288728.8052 261240.901 321571.8947 292086.3546 420268.1523 459473.2217 314055.9106 306531.225 Threonylmethionine 12718616.7 7313660.05 20680005.27 9032859.512 13813746.54 10902473.84 21833666.31 16845337.47 16386549.66 22188361.7 10733499.26 23642250.47 8842315.186 11496232.24 Thymidine 26373225.56 28348081.18 33216384.41 31222523.85 54118066.12 37339662.29 72826071.21 63243341.05 48316333.26 43570418.99 30988870.72 27950632.07 31320795.14 32748008.37 Thymidine 3',5'-cyclic monophosphate 5883712.47 14764725.29 9075581.287 5351536.522 29589532.91 34100204.54 30684497.56 29967188.42 41856414.85 17837882.19 26812682.3 27077680.53 24675954.61 30823167.05 Thymidine 5'-monophosphate 6720369.653 2663799.036 26151874.59 18586797.74 14037399.33 9005947.569 4524185.793 3387533.106 14105542.36 12117356.8 17681064.01 19724361.98 19293550.3 20147539.8 Thymidine 5'-triphosphate 11846509.58 25673848.49 22246963.14 18176986.16 926986.5096 939432.4014 920011.1733 944251.3045 873349.5923 903487.4501 941793.0991 952358.0418 867725.2232 894078.2784 Thymine 4745959.248 4532631.545 4568877.454 4284790.945 8760176.396 11218670.85 11045537.55 6200468.989 10581847.57 5875999.49 4497152.325 10448981.08 9559845.838 10869849.86 Thymine glycol 556843.7177 216245.6045 872526.6812 598617.1156 5173904.959 1639146.97 1400633.838 882363.1907 1312193.435 4519776.995 309712.065 401763.6661 571212.9325 1399028.503 tigemonam 7267537.467 4253589.789 9925716.107 8624469.328 9266464.893 6026844.939 2058801.65 2243259.406 8026523.41 8339895.675 3235268.527 3752124.347 4274817.329 4999123.175 Tioclomarol 16259692.24 6144318.146 8705115.826 9167807.46 15994644.54 15916803.14 2760149.53 17365436.45 14718615.48 14695296.66 11228708.06 10077209.61 11456432.17 14614391.08 Tobramycin 86374.80407 69625.7018 164397.7548 269732.8794 72110.57711 66430.42104 65605.59211 65561.87831 68371.61764 73298.6045 114155.5904 83312.72067 61484.7171 54098.38072 Traumatin 74458735.32 40116709.02 60856272.66 61356418.68 105902502.3 95397271.91 113534108.4 85944796.5 89318394.85 66949488.66 111933337.8 127690329.9 47793996.38 56794779.99 Tribenzoin 1218925.566 1971620.914 1523618.382 2080532.07 420678.5684 377210.8092 4234216.671 363425.8632 286482.7856 273604.0241 369584.7023 357223.0864 418450.2289 611504.4316 TRIBOA-beta glucoside 9080429.599 7166486.061 1770710.88 1759394.273 1345209.052 1572798.716 2704166.407 2906994.344 658028.1469 2381851.758 585594.3116 5923695.484 1174081.024 4166498.083 tricaffeoyl spermidine 1297020.03 665060.5773 915308.8047 860777.1304 1030632.746 1007111.436 1169500.908 904286.4888 812762.1059 909068.1693 989552.0381 1180084.191 734832.7283 643170.101 Trichloroacetic acid 258346.3522 186517.8285 381822.7184 312536.5278 229548.6052 180261.7758 201079.482 179515.1379 236124.2459 181120.5396 166311.6551 182341.0268 146129.2467 183019.8068 Trichloroethylene 792467.476 305121.8512 263012.4714 307425.554 70941215.55 50100388.9 26046009.5 92252426.06 66949025.2 105276140.7 123087619.7 74174510.54 55241905.18 65157464.2 Trichlorofluoromethane 22900342.85 22537273.84 17113082.26 14634563.3 150385074.5 40808135.18 63237398.83 52860048.9 121136273.1 57031545.19 30488950.88 30950591.87 51509935.52 39609934.4 Trichodermol 1262564.241 546230.159 1431683.822 819601.3629 1556029.543 1872402.57 1371320.426 1033068.909 1304144.68 488925.7157 1817599.419 2094225.058 810031.8404 806792.1526 Triclabendazole sulfoxide 3268332.806 1091141.353 4716109.214 9981039.681 498017.8467 505385.1328 492951.3466 470294.6866 469528.3559 469987.7558 480210.0903 520345.1538 408169.377 435769.5487 Triclosan 211465.7066 885292.3653 517875.2086 217656.3139 632037.767 594367.0288 931883.4575 886110.8154 437333.0778 383537.5642 225350.4602 742514.2391 925674.8111 1126200.235 Tridecylic acid 12544227.23 10645337.58 8998421.209 12636904.92 16731876.44 10183683.29 10905813.36 12780556.8 21924539.1 17281292.29 14711348.15 15086218.24 13591618.91 12322193.44 TRIFLUOROACETIC ACID ETHYL ESTER 52715334.39 62830572.75 62425825.1 78546798.35 70261164.62 65542577.15 57033419.7 66445311 67429028.27 57361367.22 67200405.87 35842627.27 69513726.72 71327736.4 Trifluoromethane 477983.5226 422462.2234 441358.9032 389519.3283 486037.9748 2428010.18 636195.3654 1891732.78 1586143.145 1561984.352 435012.8045 344404.8764 501851.6247 398100.5908 Trigallic acid 921506.0166 683935.1517 1164238.2 1616538.857 3807258.295 3592405.7 2341069.318 1191002.167 4456641.632 2765078.027 3598868.812 4314888.119 1228284.355 1455567.767 Trihexosylceramide(d18:1/24:1) 2446453.158 3640816.675 2631553.223 3265344.031 3060704.015 3815880.47 3076321.8 3124121.128 4207659.039 3562645.109 4058917.097 765667.149 5227137.278 6074645.954 trihydroxyferuloyl spermidine 8455058.096 4643756.423 11270733.16 7665692.216 8320275.66 5028029.806 7340443.267 5195544.181 6937725.692 5329409.631 7533704.647 3186795.65 4345337.842 4894015.482 TRIMETHYLSILYL OCTADECANOATE 2169284.114 1761489.692 1257199.803 756140.1072 842841.7053 1774748.873 2535827.565 2148300.406 2846399.556 2047534.318 1013346.335 576902.0529 1769071.759 1902640.455 Trimidox 168611.0432 74663.17632 83252.12064 148785.6356 103261.6754 87993.34042 109570.7906 303815.2644 106761.8824 86021.31757 62605.31628 88886.01734 80735.58839 94333.3033 Tri-N-acetylchitotriose 2630693.965 2146994.296 975862.6524 2037566.686 650543.2873 1361564.653 876778.4627 2762096.313 1230692.455 973544.999 1716666.066 1418710.887 1003454.305 1532732.339 Trioctylamine 1747828.438 5023033.225 1234905.711 1990826.595 2012966.778 2649366.867 2769640.674 2757804.237 2977989.779 2198621.739 1940979.178 598213.2632 3581108.005 3772290.713 TRIPHENYL PHOSPHATE 241715.0824 195718.1358 329185.6709 261544.7525 271122.0321 532660.6762 348189.3355 1705696.33 704319.267 483495.0836 1030333.4 1429205.028 297252.8242 214461.4013 TRIPHENYLPHOSPHITE 217748340.3 165651391.2 222895327.4 197829514.1 207424144.3 208155840.1 125129063.2 164008124.4 185167024.6 148402377.6 264436610.4 312770341.9 148520410.7 135924284.6 Tris(2-chloroethyl) phosphate 194407.6722 191307.8611 218360.2494 210356.3667 746448.5743 928768.5314 280043.2539 1146372.491 843130.9452 1106588.789 863310.8675 1964938.188 492683.6941 487920.5205 Tris(2-hydroxyethyl) isocyanurate 2309182.528 1558963.943 2678499.876 2275448.361 5200700.346 3597224.498 1366895.566 3799526.9 3652380.389 3681775.683 3102750.023 2923602.479 1639840.626 1851450.535 trithionic acid 180784.0847 120418.2596 215283.6181 200602.0915 123176.8008 102911.6358 156966.6817 130860.4385 160902.9148 146529.1838 150857.8293 223725.6178 99412.32416 122107.877 Trofosfamide 177662.1546 142586.7143 212757.5166 174426.1518 729808.9241 385246.9238 988600.4717 419309.2434 155270.1125 230771.0319 176527.4888 188695.6518 100855.8755 115885.8541 Tryptophanamide 2450287.155 896558.4988 5418601.077 4187481.925 1691722.013 1546906.044 1100182.194 733721.3743 228019.4269 108959.9831 458674.2283 792381.8144 333203.8704 1297231.042 Tryptophyl-Serine 535052.651 502632.0171 486165.3212 512296.9676 673812.4866 569215.0588 640140.3722 302627.1602 694292.7367 360552.493 724110.2901 758876.8308 598600.6906 687768.1678 Tsitsikammamine A 1062766.895 2112390.473 2887144.267 2483796.737 940928.9581 757457.8219 1325190.207 1958828.991 1906733.754 1704448.406 4388359.116 860544.4141 1497194.526 1765553.655 Tyrosine 3463358.41 7988938.357 9403962.899 10995947.01 15827407.18 16681775.19 11983964.26 8846314.413 15791411.91 14645488.66 10543408.95 13991857.6 10496434.45 8988117.404 Tyrosine conjugated deoxycholic acid putative 2414365.736 1292148.341 8811706.075 13489133.93 2522666.539 7356713.447 922421.9366 1460111.952 20871681.71 5540764.806 6666019.177 1773291.339 11412726.64 4202619.203 Tyrosol 4-sulfate 371184.4739 443776.1883 577317.1911 1213815.615 3195359.063 1061470.713 927694.8067 928930.5215 1282797.525 1230368.592 589194.1425 620811.4526 657429.771 644589.4239 Tyrosyl-Aspartate 16135178.87 7324612.437 11461820.71 11766929.46 4025544.493 4039025.912 4160918.188 2734451.948 2005563.859 2274263.414 2190226.495 1660395.659 1625239.909 960820.5258 Tyrosyl-Proline 5182584.373 2812781.456 2617142.277 2113407.059 4107417.154 2401613.393 2763021.571 1627555.242 1822876.541 1680335.257 2463732.923 2767240.795 1647981.47 1250826.953 Tyrosyl-Valine 78862.3157 181554.8473 84296.78593 80619.60181 689472.1582 1171400.688 85005.1693 895752.3135 410882.1393 555365.0165 857779.3276 798215.0131 578599.6897 749521.5148 UDP 3753237.398 1538159.217 4228401.674 12304303.78 38100753.06 25922076.58 23367940.41 4334428.141 15800680.47 26418141.97 8359867.429 20213595.58 20516911.26 18775443.04 UDP-2-acetamido-3-amino-2,3-dideoxy-α-D-glucuronate 3604950.762 4256527.083 2917442.051 3037054.908 6102707.92 3335841.082 4921851.491 4172917.583 4714781.056 3582655.535 5232635.407 552267.9396 3898986.879 4639543.004 UDP-alpha-D-galacto-1_4-furanose 899807.7831 673220.791 1006845.74 985849.8016 894124.423 384161.2149 1264810.277 516356.6928 549148.9583 521583.5388 762325.29 728296.766 282533.7966 528171.9016 UDP-alpha-D-xylose 28699498.75 32412108.63 41969503.47 52916670.26 53465868.95 54243316.49 64994861.09 76281898.82 72167818.05 67984749.01 72852425.47 80051042.09 72814924.77 77653337.34 UDP-D-galacturonic acid 845118.6438 24959315.11 850700.9483 828812.2963 968295.2411 9258323.195 7311563.784 10408528.57 9384752.468 11809529.41 1027790.239 10326136.89 9229889.74 8166888.976 UDP-D-Xylose 2094784.493 5122082.53 3780213.991 3713619.939 14350052.44 16424551.44 12313730.65 16018899.3 19597962.26 11069286.18 11955233.72 15757988.19 14498132.49 17085378.97 UDP-L-arabinose 24672814.32 143461323.9 93889661.64 41530252.44 99858893.26 180251252.2 277347712.6 201811095.3 188076814.1 100675847.6 160926446.7 93000871.26 139802415.6 156847830.3 UDP-L-rhamnose 70942043.34 62683525.71 70431588.07 71430270.05 66171796.95 67813349.6 38343993.69 56429244.81 58725747.25 49008385.39 81282788.76 90360849.98 49227594.65 48108467.73 UDP-N-acetylglucosamine 43919813.22 20511796.66 49913600.52 40174744.98 68865112.41 37570838.19 20425316.09 18371554.06 40651469.71 29078971.22 43580242.7 34490282.99 18538908.3 9320654.325 UDP-N-acetylmuraminate 364221.8877 593639.8718 498079.0271 1534577.308 3321471.694 3296480.239 3095840.855 3744205.081 6859110.011 6407023.227 6375824.714 7552846.478 6702114.346 8102211.581 UDP-α-D-kanosamine 1441448.277 811194.5153 1778761.846 1527771.404 1773075.372 1191454.706 217375.2274 1185139.639 1514068.743 1434359.543 1322287.91 1108056.697 989736.5528 1545294.247 Umbelliferone 1191687.755 823290.3115 1107424.328 1000016.865 1366623.103 1134411.487 1216329.391 803164.9919 1094705.508 816807.0179 2024548.351 1802921.112 872666.0088 670772.4397 UMP 54185314.47 36182475.31 48424357.4 50311350.53 30421018.28 40271328.48 11165340.89 34642909.58 25692986.92 24769328.5 36222344.47 28822619.84 15020353.6 16719755.59 Undec-3-enedioyl-CoA 86472758.39 51888650.95 115445330.2 86815858.31 80894762.4 53475233.74 85385337.02 54267687.24 64381219.24 55322909.16 79772559.52 61135110.04 47874994.02 49777267.99 undec-9-enoic acid 724283.3261 320422.2182 1354180.426 583833.2898 642670.4257 1216271.311 1114430.784 880253.438 689423.0118 878231.9258 2021818.932 2021933.802 896250.4327 731300.8956 Undeca-2,5,8-trienedioyl-CoA 25741940.22 14900888.54 34372233.81 25273789.03 23812859.8 15876866.84 25325449.51 15544914.71 10708466.48 16661736.1 5039716.875 23829337 5583158.77 15148431.51 Undecanoic acid 3782532.289 1787532.411 2939809.66 25851442.24 2980049.187 4459203.198 3768704.925 2363353.365 3835099.628 2018624.708 34456324.47 2920103.782 2497540.412 2458339.294 Undecaprenyl diphosphate 1133138.988 898614.8883 741929.9894 864813.4098 1012946.879 1048774.648 1687905.465 1467161.918 1220387.728 1440959.209 2002603.014 1454246.807 2577060.774 1170339.216 undecylprodigiosin 4143270.648 3192399.355 4948703.479 4423196.641 1711411.879 3366474.691 1674610.841 3190149.746 4829756.43 2624391.484 2363713.142 827743.4228 2384953.642 2999290.231 UNII:TER5ZXE00D 569532.3524 383622.8221 727234.1802 492518.3009 305704.3669 222772.3346 296219.417 366734.7756 881974.0512 886153.2612 1744707.081 870565.8874 436351.5376 695199.3203 Uracil 1715399.659 1876613.634 1651137.389 1587589.261 2542690.735 1478020.842 1726729.107 2721753.194 1775598.571 3296981.323 2681649.671 1987434.845 1478672.32 1212567.1 urea acetate 3291784.051 3139861.705 3150362.119 2936476.582 2674628.684 1420560.553 2990752.868 2408589.937 910737.608 1780261.542 1077970.686 1968990.799 758245.6384 574644.5249 urea glutamate 941754.9291 1057604.901 960232.168 939165.2113 1116911.805 1187896.301 1141498.42 1138089.337 1156591.363 956751.9461 1185538.256 1083577.503 1292129.952 1578732.756 Ureidoglycolic acid 1796571.341 1622885.891 1733851.904 1660007.845 2032597.748 1332016.528 1952963.341 2561192.578 1782700.988 2710977.008 2883585.285 2137874.67 1685099.105 1883377.845 Ureidopropionic acid 2277871.726 2450773.107 2239547.046 2146435.515 2187208.914 984219.4466 2181818.268 2013240.012 1983991.81 2804549.188 2678843.787 2336432.881 1635619.319 1677143.832 Uridine 76897957 50604065.14 95277611.69 72800411.85 91893374.89 72121609.05 71916312.35 58503035.76 87199089.6 81468599 101654247.1 63540764.94 63049023.17 75565984.55 Uridine 2',3'-cyclic phosphate 1708015.529 1938246.47 3881489.157 2644279.612 2155388.139 2483287.583 529534.8383 223531.6074 1969751.45 1347773.743 489285.2076 740950.9618 590400.8145 236084.4227 Uridine 5'-diphosphate 2420123 4578170.43 2930245.937 2768827.001 2987169.456 5282865.042 2253131.959 4270173.464 6062017.474 3757857.835 5471955.205 3147818.685 4511551.869 4966939.623 Uridine 5'-diphosphogalactose 39211967.9 21431438.77 23101270.21 20095086.43 29646329.99 24198035.63 7117343.345 25619892.47 29416801.81 27244215.47 42195807.85 32277513.25 14039281.02 11737480.02 Uridine 5'-diphosphoglucuronic acid 17868451.51 10067318.75 20851941.14 17065266.44 18219963.98 14553423.14 9089851.485 4038923.758 13942294.92 11050456.05 22801401.92 19302617.77 8442661.943 8513336.483 Uridine diphosphate glucose 2134143.514 1876231.481 1482600.499 1304642.897 2531758.107 2568504.501 204610.9143 2364450.122 2678689.064 2783776.003 4141253.504 3634442.612 1209394.999 1198366.586 Uridine triphosphate 1297858.122 1898826.906 8329702.987 7043021.283 12235837.73 6219417.529 13501761.68 11314050.49 19741276.92 18909809.2 27321471.62 39938923.65 5945535.556 9335652.402 Urolithin C 3-glucuronide 61034.40684 57438.17799 80293.32057 65606.73049 64854.46734 67663.96674 58062.34086 66944.31715 72736.82273 62321.32229 57549.39573 65596.02591 53193.59546 49297.33707 Uroporphyrin 4897054.899 6452716.75 5066391.802 3100861.184 3628096.447 9950767.424 15481368.47 13221520.76 9403475.256 9747165.444 10629670.24 10038828.01 12825060.83 8108026.434 Valine 430349.9554 321525.2324 616551.7025 480062.089 443875.5797 386097.893 317215.2267 383197.994 418086.8421 389914.1806 540970.6089 593800.7382 451077.5788 470182.7121 ValylIsoleucine 4226103.87 1639310.139 4536871.473 1314037.686 4610390.672 4315992.852 3309564.097 2631696.534 3900676.006 1990782.341 2781935.01 5645918.645 1530662.984 3048488.185 Vanillactic acid 73527.64132 139754.8819 70594.24926 209441.3484 49537.71726 69639.12405 25250.7354 98758.58893 63696.04277 67106.97826 70241.72186 71090.25133 93659.68631 76940.10593 Vanillin acetate 717493.3061 648328.3956 822517.3782 666571.0863 550780.2435 248424.1712 449158.6819 712788.7203 407082.3549 914261.1314 911396.2318 998601.132 659746.9094 345641.4193 Vanilpyruvic acid 5302802.809 11402401.06 11785618.65 11954964.24 990955.1723 1620472.302 561755.5551 999438.1736 723052.8766 736811.7135 2443265.077 15043887.57 9318612.66 1438370.668 VINYLSULFONIC ACID 20605.6677 18910.86495 16448.41485 18079.67414 915136.8726 737867.2614 385036.0362 322972.2561 714528.1068 334613.1337 220549.9425 772686.6573 121323.3671 553311.6249 VX-702 2223674.366 2044750.701 6268551.521 4006440.109 12355215.18 10157220.29 2561930.22 2550137.98 15904405.56 27539111.57 3958431.172 12175267 4134261.112 6574155.132 Warfarin 40815.6736 28244.69827 76565.14476 47513.35125 62573.98228 24879.96844 22113.50305 24109.25002 31951.22541 27165.74869 61567.97597 22411.14582 21219.12687 22303.73266 Xanthine 337424050.2 184593684.8 335390977.2 228891274 271608035.5 189901668.3 194268910.4 211416961.1 206851272 239311230.2 382450534.6 403717073.8 120353841.1 171137214.5 Xanthosine 5-triphosphate 340290.0238 320706.6789 337780.1676 301287.873 271985.9946 256199.6627 281315.7803 242974.596 250781.9294 279068.5584 237204.2123 289275.5372 295428.9415 297489.6943 XDP 7024524.103 2552702.633 1283218.34 1264189.838 428036.4823 415119.2626 369484.7497 376520.0641 358735.1814 338228.2419 408056.8966 530260.7581 258650.392 305003.2785 XTP 290255.101 644920.6458 267092.6302 260664.35 625689.817 497783.1095 427422.1576 979129.4982 725062.5361 716777.786 1014283.282 541631.5079 910458.5943 1273634.907 Xylitol 2070447.726 908852.9525 3361865.164 3526258.749 1225362.392 2887494.862 1016134.264 448280.5888 8623865.51 5233583.313 2959802.297 2434587.226 7432172.848 9890443.917 Xylometazoline HCl 627079.706 135725.8564 410044.124 446764.9769 1904043.2 852539.4035 1300764.309 281929.9341 747828.2622 1050712.321 2273942.67 717135.8592 529702.4546 368610.5896 Zileuton O-glucuronide 12901098.7 8284646.407 11736829.68 10315338.01 12499135.79 10422029.04 11766677.18 7342715.164 11408504.54 8370052.082 18797856.55 17662228.26 7438046.991 6434075.206 Z-Leu-leu-leu-al 242590.9158 170134.8801 427999.6113 246544.3982 197038.2864 156250.2214 146681.6952 139615.9096 180161.7816 171330.1096 150814.8754 148956.9455 154059.3528 144339.6207 Zuclopenthixol 81905.0407 63487.95871 659168.9293 238344.4211 142761.0023 267264.3087 365733.4372 82458.5566 188677.1582 119574.6978 200769.1858 100518.5034 55752.0427 95800.57761 α,α-Trehalose 7243669.344 10959846.33 12963526.69 14521716.3 16970465.35 10266909.24 17624670.09 9521915.546 20900696.43 19231489.69 15967921.54 14933464.36 21663618.94 26295930.84 β-D-Fructose 6-phosphate 391760573.3 329290058.5 1216997067 1073819127 1383834224 670081435.2 811513948.9 665107598.8 1591427608 1020246215 339817284.2 288170121.9 659755170.6 596362480.2 β-Muricholic acid 3907568.845 2891524.762 4925380.657 4750675.942 5834269.036 3719293.419 5699545.173 6901600.939 5119733.941 6604816.889 5232682.203 6381768.26 4311483.949 5246240.162 γ-Glutamyl-L-putrescine 271797.4667 148570.3475 895157.5769 1250362.008 810556.8136 637733.1214 319675.6343 7105547.404 1621874.209 887182.5224 5236674.665 10992003.31 692379.6664 887333.9455 γ-L-Glutamyl-(S)-trans-1-propenyl-L-cysteine 100736.3906 84376.34166 80771.69859 69649.41316 24386.7016 23311.59178 24128.48141 23837.96369 23418.0879 23088.31853 22542.29524 23105.29773 23970.85888 22610.65557 δ-Ribono-1,4-lactone 266590981.7 63294262.22 57700680.54 56002393.49 92659063.64 97427544.56 85225493.42 114893785.4 130496287.4 120223552.5 125363222.4 94915505.97 153398068.1 133236122.2 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name m/z RT(min) Reference_Ion Malononitrile 65.0140 41.49 [M-H]-1 Cyanoacetic acid 65.9983 41.44 [M-H]-1 Ureidoglycolic acid 66.0095 42.18 [M-H]-1 1,2,3-Oxadiazol-5-amine 66.0095 23.05 [M-H-H2O]-1 L-Phosphoarginine 66.0095 41.62 [M-H]-1 2-Cyanoethylene oxide 68.0139 42.03 [M-H]-1 Trifluoromethane 68.9955 0.57 [M-H]-1 1,2,4-Oxadiazole 69.0092 42.27 [M-H]-1 Sedoheptulose 69.0173 42.03 [M-H]-1 Phosphine 70.9457 4.57 [M-H]-1 Enolaldehyde 71.0135 13.77 [M-H]-1 6-Hydroxycaproic acid 71.0498 3.46 [M-H]-1 2-Iminoacetate 72.0089 41.83 [M-H]-1 Propanoate 73.0293 21.91 [M-H]-1 hypothiocyanous acid 73.9705 1.89 [M-H]-1 Glycine 74.0245 15.75 [M-H]-1 Acetohydroxamic acid 74.0246 42.01 [M-H]-1 Glycolic acid 75.0086 40.06 [M-H]-1 Glycolate 75.0086 12.45 [M-H]-1 Fumaronitrile 77.0144 41.89 [M-H]-1 Hydrogen bromide 78.9187 2.95 [M-H]-1 Thiocyanate 79.9568 4.46 [M-H]-1 Phosphonate 80.9748 0.16 [M-H]-1 Oxazine 82.0297 41.69 [M-H]-1 1-Aminocyclopropane-1-carboxylate 82.0299 42.04 [M-H-H2O]-1 5-Aminoimidazole 82.0411 42.06 [M-H]-1 CHLORIC ACID 82.9541 4.93 [M-H]-1 L-cycloserine 83.0248 41.64 [M-H-H2O]-1 Imidazolone 83.0250 15.64 [M-H]-1 2-Oxido-1,2,5-oxadiazol-2-ium 85.0043 24.84 [M-H]-1 2-Imidazolidone 85.0407 42.24 [M-H]-1 2-Aminoprop-2-enoate 86.0248 41.86 [M-H]-1 Pyruvic acid 87.0087 3.16 [M-H]-1 Pyruvate 87.0089 12.33 [M-H]-1 Glyoxime 87.0201 41.97 [M-H]-1 tetrahydrothiophene 87.0282 42.28 [M-H]-1 Butanoate 87.0452 3.28 [M-H]-1 3,6-dichlorocatechol 87.9724 4.64 [M-H]-1 Ammonium chloride 87.9725 12.31 [M-H]-1 Oxamate 88.0040 3.18 [M-H]-1 Glycyl-Cysteine 88.0120 10.77 [M-H]-1 L-Alanine 88.0403 15.00 [M-H]-1 Allylsulfenate 89.0071 10.34 [M-H]-1 L-(+)-Lactic acid 89.0242 13.13 [M-H]-1 L-Lactic Acid 89.0242 13.80 [M-H]-1 Dihydroxyacetone 89.0245 14.92 [M-H]-1 S-(2-Chloroethyl)cysteine 90.4985 11.85 [M-H]-1 pyroglutamylphenylalanine 91.0303 43.25 [M-H]-1 2,4-Dihydroxypyridine 92.0144 41.64 [M-H]-1 Cytosine 92.0252 41.62 [M-H]-1 2,2-Dichloroacetaldehyde 92.9281 14.41 [M-H]-1 Uracil 93.0096 41.87 [M-H]-1 Phenol 93.0345 1.66 [M-H]-1 Methanesulfonic acid 94.9810 2.72 [M-H]-1 2-Hydroxypyrazine 95.0248 41.54 [M-H]-1 pyrimidin-4-ol 95.0253 42.62 [M-H]-1 Maleimide 96.0093 42.34 [M-H]-1 Vanillin acetate 96.0204 41.86 [M-H]-1 Tryptophyl-Serine 96.0331 42.21 [M-H]-1 2,3-Dihydro-4-pyrimidinamine 96.0569 42.04 [M-H]-1 Phosphate 96.9697 3.14 [M-H]-1 Polyethylene glycol 97.0046 41.77 [M-H]-1 4-Hydroxymethylpyrazole 97.0409 0.55 [M-H]-1 4-Hydroxymethylimidazole 97.0409 41.75 [M-H]-1 Uridine 98.0247 8.82 [M-H]-1 1H-Pyrrole-2,5-diol 98.0247 8.15 [M-H]-1 3-Cyanopropanoic acid 98.0249 37.14 [M-H]-1 L-2-Amino-3-oxobutanoate 98.0250 23.17 [M-H-H2O]-1 2-Amino-1,5-dihydro-4H-imidazol-4-one 98.0361 42.11 [M-H]-1 Diphosphorus 98.9071 42.32 [M-H]-1 Perchloric acid 98.9490 4.89 [M-H]-1 METHANETRICARBALDEHYDE 99.0090 10.92 [M-H]-1 Hydantoin 99.0203 22.82 [M-H]-1 urea acetate 99.0203 41.72 [M-H-H2O]-1 2,4-Oxazolidinedione 100.0039 9.75 [M-H]-1 δ-Ribono-1,4-lactone 101.0243 16.74 [M-H]-1 2-Oxobutanoate 101.0243 13.83 [M-H]-1 2-Aminomalonatesemialdehyde 102.0199 22.55 [M-H]-1 N-Acetylneuraminic acid 102.0278 8.09 [M-H]-1 4-Aminobutanoate 102.0559 16.02 [M-H]-1 Phosphite 102.9571 3.09 [M-H]-1 3-Hydroxybutyric acid 103.0401 8.57 [M-H]-1 1,3,5-Trichloro-2-methoxybenzene 103.9566 41.95 [M-H]-1 2-Cyanopyrimidine 104.0257 42.10 [M-H]-1 L-Serine 104.0353 16.14 [M-H]-1 2-Methyleneglutaronitrile 105.0456 23.81 [M-H]-1 5-Methylcytosine 106.0409 0.38 [M-H-H2O]-1 1H-Imidazo[1,2-b]pyrazole 106.0410 23.58 [M-H]-1 VINYLSULFONIC ACID 106.9807 0.61 [M-H]-1 Oxamide 107.0251 41.48 [M-H]-1 alkyl-DHAP 107.0366 42.23 [M-H]-1 Hypotaurine 108.0126 14.86 [M-H]-1 Imidazooxazole 108.0206 41.96 [M-H]-1 2-Hydrazinopyridine 108.0570 42.24 [M-H]-1 Iodide 108.9020 12.07 [M-H]-1 Nitric oxide 108.9022 12.73 [M-H]-1 Dichloroketene 108.9251 12.19 [M-H]-1 3-Hydroxy-4-aminopyridine 109.0409 14.30 [M-H]-1 Imidazole-4-acetaldehyde 109.0409 13.51 [M-H]-1 2-Furancarboximidamide 109.0410 42.93 [M-H]-1 Diaminoguanidine 110.0444 42.12 [M-H]-1 Selenium dioxide 110.8991 3.73 [M-H]-1 Chloroacetyl chloride 110.9409 2.73 [M-H]-1 Methanethiosulfonate 110.9583 1.37 [M-H]-1 2-Furoate 111.0091 3.14 [M-H]-1 L-cis-3-Amino-2-pyrrolidinecarboxylic acid 111.0566 41.77 [M-H]-1 2-Iminosuccinate 112.0044 41.47 [M-H-H2O]-1 (S)-1-Pyrroline-5-carboxylate 112.0406 42.06 [M-H]-1 5-Aminolevulinate 112.0407 41.67 [M-H-H2O]-1 Creatinine 112.0515 9.20 [M-H]-1 Asparaginamide 112.0520 17.27 [M-H-H2O]-1 Thiosulfate 112.9375 17.03 [M-H]-1 Acetylenedicarboxylate 112.9878 1.73 [M-H]-1 2-Oxopent-4-enoate 113.0243 13.85 [M-H]-1 4-Hydroxy-2-oxopentanoate 113.0243 13.44 [M-H-H2O]-1 5,6-Dihydrouracil 113.0358 41.32 [M-H]-1 Glycine anhydride 113.0360 42.17 [M-H]-1 Maleamate 114.0196 8.63 [M-H]-1 D-Proline 114.0561 13.77 [M-H]-1 Chloroacetaldehyde 114.9362 2.24 [M-H]-1 Metaphosphoric acid 114.9366 42.02 [M-H]-1 Fumaric acid 115.0036 15.33 [M-H]-1 N,N'-Diacetylhydrazine 115.0513 0.43 [M-H]-1 3-Amino-4-oxobutanamide 115.0515 41.77 [M-H]-1 2,2,2-Trifluoro-N-(2-nitrophenyl)acetamide 116.0042 7.54 [M-H]-1 Hydroxyprolyl-Cysteine 116.0256 42.61 [M-H]-1 L-Aspartate-semialdehyde 116.0354 12.34 [M-H]-1 5-Aminovaleric acid 116.0718 13.81 [M-H]-1 5-Aminopentanoate 116.0720 16.05 [M-H]-1 Dichloroethene 116.9288 0.27 [M-H]-1 2-Chloro-1,1,1-trifluoroethane 116.9723 3.40 [M-H]-1 Succinate 117.0191 4.51 [M-H]-1 Methylmalonic acid 117.0193 17.58 [M+FA-H]-1 D-1-Amino-2-pyrrolidinecarboxylic acid 117.9761 12.47 [M-H]-1 1H-Benzotriazole 118.0414 41.90 [M-H]-1 L-Homoserine 118.0513 16.07 [M-H]-1 Hydroxy(trioxo)manganese 118.9181 0.40 [M-H]-1 Benzofurazan 119.0253 42.09 [M-H]-1 Acetonitrile 119.9471 0.21 [M-H]-1 2,3,5-Trichlorodienelactone 119.9474 44.28 [M-H]-1 3,5-Dichloro-2-hydroxybenzenesulfonic acid 119.9517 43.47 [M-H]-1 2-Sulfamoylacetic Acid 119.9763 4.95 [M-H]-1 Hypothiocyanite 119.9764 7.06 [M-H]-1 5-Hydroxypyrazinamide 120.0206 41.77 [M-H]-1 Thymidine 120.0382 3.37 [M-H]-1 (1E)-1-Phenyltriaz-1-ene 120.0570 41.62 [M-H]-1 4-Hydroxybenzaldehyde 121.0296 4.02 [M-H]-1 Nicotinamide 121.0405 4.05 [M-H]-1 N-Methyl-N'-nitrosoguanidine 121.0522 41.68 [M-H]-1 Pyrazinamide 122.0363 41.58 [M-H]-1 Sulfoacetaldehyde 122.9761 7.31 [M-H]-1 2'-Fluoro-5-iodoarauracil 122.9761 3.26 [M-H-H2O]-1 Pyrazin-2-carboxylic acid 123.0203 41.31 [M-H]-1 Methylimidazoleacetaldehyde 123.0566 41.94 [M-H]-1 formate 123.9020 22.11 [M-H]-1 Nitrosourea 123.9924 13.59 [M-H]-1 N-Formylglycine 124.0019 12.93 [M-H]-1 Taurine 124.0074 13.55 [M-H]-1 Isouramil 124.0156 41.31 [M-H-H2O]-1 Threonylmethionine 124.0440 13.57 [M-H]-1 1-Methylcytosine 124.0519 41.63 [M-H]-1 Ethyl hydrogen sulfate 124.9917 2.43 [M-H]-1 Dimethylphosphate 125.0010 10.88 [M-H]-1 2-Hydroxyethylphosphonate 125.0013 12.60 [M-H]-1 (Methylthio)pyrazine 125.0180 14.31 [M-H]-1 1-Methyl-3,6-(1H,2H)-pyridazinedione 125.0360 42.18 [M-H]-1 Thymine 125.0360 22.88 M-2H Penem 126.0019 8.41 [M-H]-1 Oxidized Photinusluciferin 126.0034 13.55 [M-H]-1 Chloromethyl chloroformate 126.9361 0.62 [M-H]-1 4-Chlorophenol 126.9960 2.56 [M-H]-1 FT-PFCA; C3H3F3O2 127.0017 3.06 [M-H]-1 2-Amino-4-chloropyridine 127.0064 13.51 [M-H]-1 Pyrimidine-2,4,6-triol 127.0151 41.25 [M-H]-1 Dihydrothymine 127.0510 1.29 [M-H]-1 5,5-Dimethylhydantoin 127.0513 15.88 [M-H]-1 Imidazole 127.0516 41.97 [M-H+HAc]-1 Epigoitrin 128.0178 3.06 [M-H]-1 4-Oxoproline 128.0356 15.92 [M-H]-1 5-Methylthioribulose 1-phosphate 128.9991 0.73 [M-H]-1 5-Methylthioribose 1-phosphate 128.9994 44.29 [M-H]-1 Mesaconate 129.0195 12.73 [M-H]-1 2,5-Dioxopentanoate 129.0196 10.89 [M-H]-1 Mesaconic acid 129.0197 16.74 [M-H]-1 5-Hydroxy-1-methylhydantoin 129.0308 42.41 [M-H]-1 (S)-3-Methyl-2-oxopentanoate 129.0560 4.31 [M-H]-1 1,2,3-Benzotriazine 130.0413 22.59 [M-H]-1 Creatine 130.0622 15.01 [M-H]-1 L-β-Leucine 130.0876 12.84 [M-H]-1 L-Isoleucine 130.0876 13.15 [M-H]-1 Hypochlorite 130.8892 11.94 [M-H]-1 Chloroacetic acid 130.9309 42.09 [M-H]-1 Dimethyl sulfone 130.9571 2.28 [M-H]-1 Silicic acid 130.9576 0.19 [M-H]-1 Pteridine 131.0366 42.94 [M-H]-1 Asparagine 131.0462 16.16 [M-H]-1 Ornithine 131.0827 16.28 [M-H]-1 2-Hydroxypyridine 131.9836 15.77 [M-H]-1 2-Nitroimidazole 132.0204 42.11 [M-H]-1 L-Aspartic acid 132.0302 16.39 [M-H]-1 Indolin-2-one 132.0454 1.90 [M-H]-1 2-Amino-4-methylsulfanylbutanal 132.0494 16.20 [M-H]-1 1H-Indazol-3-amine 132.0569 41.64 [M-H]-1 4-Methylbenzotriazole 132.0570 42.97 [M-H]-1 Dihydrouracil 132.0700 16.41 [M-H]-1 Malic acid 133.0142 18.90 [M-H]-1 D-(+)-Malic acid 133.0142 17.48 [M-H]-1 L-Malic acid 133.0146 22.08 [M-H]-1 1H-Indazol-3-ol 133.0409 42.50 [M-H]-1 Dihydropteridine 133.0522 43.49 [M-H]-1 3,N4-Etheno-cytosine 134.0363 43.08 [M-H]-1 1-Hydroxybenzotriazole 134.0363 22.27 [M-H]-1 4-Hydroxybenzotriazole 134.0363 42.15 [M-H]-1 Adenine 134.0474 9.19 [M-H]-1 ETHYL 3-PYRIDYL KETONE 134.0615 2.54 [M-H]-1 Estrone 134.0744 11.64 [M-H]-1 Trichlorofluoromethane 134.8947 6.71 [M-H]-1 2,6-Dihydroxy-3-cyanopyridine 135.0199 41.76 [M-H]-1 Allopurinol 135.0300 16.71 [M-H]-1 Erythronic acid 135.0301 16.18 [M-H]-1 L-Threonic acid 135.0313 16.96 [M-H]-1 Hypoxanthine 135.0314 12.29 [M-H]-1 Phenylacetate 135.0452 2.66 [M-H]-1 2-Methylnicotinamide 135.0566 42.11 [M-H]-1 Methyl isocyanate 135.9449 0.42 [M-H]-1 Thiazolinedione 135.9454 1.31 [M-H]-1 N-Methylethanolaminium phosphate 136.0164 2.65 [M-H]-1 Isobutyl isothiocyanate 136.0215 19.29 [M-H]-1 Isoniazid 136.0514 3.37 [M-H]-1 Isonicotinate hydrazide 136.0519 41.70 [M-H]-1 4-Hydroxybenzoic acid 137.0248 3.03 [M-H]-1 4-Nitroaniline 137.0357 10.28 [M-H]-1 5,7-Dihydro-4H-purin-8-ol 137.0469 42.03 [M-H]-1 4-Hydroxymethylphenylhydrazine 137.0721 42.64 [M-H]-1 5-Formylcytosine 138.0312 22.50 [M-H]-1 5-Diazo-4-oxo-L-norvaline 138.0312 42.01 [M-H-H2O]-1 Gabaculine 138.0559 3.11 [M-H]-1 Histidinal 138.0674 41.82 [M-H]-1 Thionyl Chloride 138.8756 4.28 [M-H]-1 5-Hydroxypyrazine-2-carboxylic acid 139.0151 41.55 [M-H]-1 2-Hydroxypropylphosphonate 139.0171 8.44 [M-H]-1 Methylimidazoleaceticacid 139.0514 43.18 [M-H]-1 Pyrimidine 139.0516 41.63 [M-H+HAc]-1 Hexachlorobenzene 139.8971 16.03 [M-H]-1 (1R)-1-Amino-2-sulfanylethanesulfinic acid 139.9843 10.91 [M-H]-1 1,3,5-Triazine 140.0462 42.01 [M-H+HAc]-1 5-Hydroxymethylcytosine 140.0469 42.16 [M-H]-1 Dimetridazole 140.0469 41.71 [M-H]-1 3-Fluoro-2-oxopropanoic acid 140.9757 4.66 [M-H]-1 Methylthiouracil 141.0139 8.00 [M-H]-1 TRIFLUOROACETIC ACID ETHYL ESTER 141.0169 12.47 [M-H]-1 5-Hydroxymethyl-uracil 141.0308 42.22 [M-H]-1 Ectoine 141.0671 0.39 [M-H]-1 2,2,2-Trichloroacetamide 141.8941 43.49 [M-H]-1 Glycineamideribotide 142.0202 13.33 [M-H]-1 4-Chlorothiophenol 142.9726 4.58 [M-H]-1 Allicin 142.9986 12.27 [M-H-H2O]-1 2-Vinyl-[4H]-1,3-dithin 142.9988 10.86 [M-H]-1 Methylglutamic acid 143.0364 42.13 [M-H]-1 3-HYDROXYMETHYL-2,5-PIPERAZINEDIONE 143.0464 0.19 [M-H]-1 7-oxoheptanoate 143.0712 2.62 [M-H]-1 2-Ethylhexanoic acid 143.1080 0.32 [M-H]-1 Dichloroacetonitrile 143.9018 0.47 [M-H]-1 2-Oxoglutaramate 144.0299 0.80 [M-H]-1 3,4-Diaminopyridine 144.0354 7.00 [M-H]-1 1(2H)-Isoquinolinone 144.0453 44.18 [M-H]-1 4-Indolecarbaldehyde 144.0455 2.67 [M-H-H2O]-1 Tetraphosphorus 144.8696 12.35 [M-H]-1 Pentafluoropropionic acid 144.9699 12.32 [M-H]-1 PFCA-H; C3H2F4O2 144.9920 0.71 [M-H]-1 2,4-Dihydroxy-2-(hydroxymethyl)-3-oxobutanoic acid 145.0142 12.81 [M-H-H2O]-1 2-Amino-4-methylpyridine 145.0160 15.95 [M-H]-1 1,2,4-Benzotriazin-3-amine 145.0522 43.14 [M-H]-1 D-(-)-Glutamine 145.0619 15.90 [M-H]-1 L-Lysine 145.0980 16.16 [M-H]-1 2-Ethyl-1-hexanethiol 145.1079 16.00 [M-H]-1 2-Oxothiazolidine-4-carboxylic acid 145.9916 8.16 [M-H]-1 Prolinedithiocarbamate 146.0106 16.43 [M-H]-1 Indole-5_6-quinone 146.0247 8.08 [M-H]-1 1-Methyl-4-nitroimidazole 146.0362 41.72 [M-H]-1 N-Methyl-D-aspartic acid (NMDA) 146.0459 16.19 [M-H]-1 N-Acetyl-L-serine 146.0461 12.52 [M-H]-1 L-Glutamic acid 146.0462 18.30 [M-H]-1 L-Glutamate 146.0462 42.81 [M-H]-1 5-Methylthiopentanaldoxime 146.0654 16.02 [M-H]-1 5,6-Dimethylbenzotriazole 146.0725 42.94 [M-H]-1 N-Hydroxy-L-isoleucine 146.0825 10.41 [M-H]-1 Bromopyruvic acid 146.9081 1.04 [M-H]-1 Dimethyl phosphate 146.9829 12.64 [M-H]-1 (S)-Citramalate 147.0297 13.12 [M-H]-1 Oxoglutaric acid 147.0299 16.29 [M-H]-1 (R)-2,3-Dihydroxy-3-methylpentanoate 147.0662 16.07 [M-H]-1 (R)-Mevalonate 147.0666 9.54 [M-H]-1 Mevalonic acid 147.0688 15.89 [M-H]-1 Aminomethanesulfonic acid 147.9464 41.76 [M-H]-1 Dichlorotriazine 147.9468 4.01 [M-H]-1 1‐isocyano‐2‐nitrobenzene 148.0284 9.18 [M-H]-1 L-Methionine 148.0438 13.29 [M-H]-1 3H,4H-3-METHYLPYRRO(1,2-D)(1,2,4)TRIAZIN-4-ONE 148.0520 41.61 [M-H]-1 2-Pyrroloylglycine 149.0357 41.70 [M-H+HAc]-1 D-Ribofuranose 149.0453 8.33 [M-H]-1 9-Deazaguanine 149.0469 23.73 [M-H]-1 2-DIMETHYLAMINO-5-NITROPYRIMIDINE 149.0470 42.22 [M-H-H2O]-1 Methionine-methyl-13C-methyl-d3 149.0471 41.82 [M-H]-1 Hydrocinnamic acid 149.0607 2.76 [M-H]-1 3-Phenylpropanoate 149.0608 7.78 [M-H]-1 3,4-Dimethylbenzoic acid 149.0610 3.95 [M-H]-1 Ellagic acid 149.9054 2.70 [M-H]-1 Cysteic acid 149.9864 2.97 [M-H]-1 S-Methyl-L-Cysteine-S-oxide 150.0228 0.32 [M-H]-1 7-Deazaxanthine 150.0311 42.06 [M-H]-1 Heptulose 150.0311 41.66 [M-H+HAc]-1 Guanine 150.0419 11.40 [M-H]-1 4-Aminobenzohydrazide 150.0675 43.02 [M-H]-1 Xanthine 151.0261 10.02 [M-H]-1 Methylguanidine 151.9808 6.70 [M-H]-1 1-Chlorobenzotriazole 152.0025 12.21 [M-H]-1 6H,8H-3,4-Dihydropyrimido(4,5-c)(1,2)oxazin-7-one 152.0469 42.08 [M-H]-1 1-aminobutylphosphonic acid 152.0486 12.74 [M-H]-1 4-(beta-Acetylaminoethyl)imidazole 152.0835 41.95 [M-H]-1 Propanoyl phosphate 152.9963 7.93 [M-H]-1 Gentisic acid 153.0196 1.77 [M-H]-1 Imidazol-5-yl-pyruvate 153.0306 41.76 [M-H]-1 Hydroxytyrosol 153.0555 7.62 [M-H]-1 6-n-Propyluracil 153.0672 41.94 [M-H]-1 6-CHLORO-5-CYANO-3,4-DIHYDROPYRIMIDIN-4-ONE 153.9819 7.91 [M-H]-1 [Similar to: Indole-3-acetyl-L-aspartic acid; ΔMass: -135.0710 Da] 154.0119 16.46 [M-H]-1 Cytosine-5-carboxylic acid 154.0259 41.59 [M-H]-1 L-Histidine 154.0624 41.73 [M-H]-1 2-Aminopyrimidine 154.0624 41.71 [M-H+HAc]-1 O,O,S-Trimethyl phosphorothioate 154.9934 7.04 [M-H]-1 Propane-1_2-diol1-phosphate 155.0119 4.39 [M-H]-1 4-Imidazolone-5-propanoate 155.0462 0.33 [M-H]-1 Ureidopropionic acid 155.0464 42.24 [M-H]-1 Nonane-4_6-dione 155.1083 3.25 [M-H]-1 1,2,3-Triazine, 4-phenyl- 156.0569 42.32 [M-H]-1 (S)-Dimethyl 2-aminopentanedioate 156.0665 2.98 [M-H-H2O]-1 3-Methylcrotonylglycine 156.0667 3.30 [M-H]-1 D-Erythrose 156.9908 11.96 [M-H]-1 PFCA-perfluoroalkyl_Hsubstituted_1DB; C4H2F4O2 156.9911 12.44 [M-H]-1 2,4-Dihydroxybutanoic acid 156.9912 21.13 [M-H]-1 Lactic acid 157.0121 12.76 [M-H]-1 (S)-(+)-Allantoin 157.0368 10.20 [M-H]-1 Ethyl3-oxohexanoate 157.0871 0.33 [M-H]-1 Nonanoicacid 157.1236 3.98 [M-H]-1 IODOETHANE (2,2,2-D3) 157.9553 4.09 [M-H]-1 5'-Phosphoribosyl-N-formylglycinamide 158.0334 9.83 [M-H]-1 3-Methyl-quinolin-2-ol 158.0610 2.44 [M-H]-1 5-Acetamidovalerate 158.0827 8.58 [M-H]-1 L-2-Aminooctanoic acid 158.1184 13.88 [M-H]-1 Dimethylarsinic acid 158.9389 22.62 [M-H]-1 Tetrahydroxy-3-methoxyflavone 159.0313 42.02 [M-H]-1 Succinic anhydride 159.0314 42.39 [M-H]-1 Hydralazine 159.0674 23.56 [M-H]-1 Ethyl(R)-3-hydroxyhexanoate 159.1023 2.61 [M-H]-1 L-Carnitinamide 159.1137 20.07 [M-H]-1 3-(Dichloromethylene)-2,5-pyrrolidinedione 159.9396 2.95 [M-H]-1 4-Hydroxy-2(1H)-quinolone 160.0406 3.08 [M-H]-1 1-(1H-Imidazo[4,5-c]pyridin-4-yl)ethanone 160.0518 42.09 [M-H]-1 Trichloroacetic acid 160.8960 10.56 [M-H]-1 Chloro 2,2-dichloroacetate 160.8965 11.60 [M-H]-1 Pyrazolone 160.9353 0.60 [M-H]-1 Umbelliferone 161.0243 1.61 [M-H]-1 2-Deoxy-L-scyllo-inosose 161.0458 13.80 [M-H]-1 1,2,4-Benzotriazin-3-amine 1-oxide 161.0470 42.07 [M-H]-1 1-Butanethiol, TMS derivative 161.0833 42.96 [M-H]-1 1-Phenyl-1-pentanone 161.0973 2.64 [M-H]-1 Phosphoethanolamine 161.9941 16.17 [M-H]-1 7-Nitroindazole 162.0310 42.72 [M-H]-1 1-Methoxymethylbenzotriazole 162.0675 41.89 [M-H]-1 Benzimidazole 163.0515 42.18 [M+FA-H]-1 6H-Purin-6-one, 1,7-dihydro-1,7-dimethyl- 163.0628 41.90 [M-H]-1 JASMONE 163.1126 2.42 [M-H]-1 Sapiol 163.8397 11.71 [M-H]-1 Ethiin 164.0387 16.02 [M-H]-1 N,4-Dinitroso-N-methylaniline 164.0467 42.10 [M-H]-1 L-Phenylalanine 164.0716 12.32 [M-H]-1 2-(4-Hydroxyphenyl)-2-oxoacetate 165.0192 3.13 [M-H]-1 6-(methylsulfanyl)-9H-purine 165.0228 1.85 [M-H]-1 7-Methylxanthine 165.0416 41.91 [M-H]-1 Ethyl paraben 165.0554 2.63 [M-H]-1 3-Hydroxy-3-phenylpropanoic acid 165.0557 2.64 [M+FA-H]-1 3-(3-Hydroxyphenyl)propanoate 165.0559 3.95 [M-H]-1 N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMIDE 165.0783 42.99 [M-H]-1 iodoacetamide 165.8989 12.14 [M-H]-1 acetyltaurine 166.0181 6.96 [M-H]-1 2-Amino-6-purinethiol 166.0182 3.25 [M-H]-1 2,4-Diamino-6-nitrotoluene 166.0623 42.03 [M-H]-1 4,5-Dichloro-3H-1,3-dithiol-2-one 166.8603 11.85 [M-H]-1 Phosphoenolpyruvic acid 166.9749 17.39 [M-H]-1 2,3-Diaminosalicylic acid 167.0463 42.09 [M-H]-1 Norharman 167.0620 2.63 [M-H]-1 N-lactoyl-Glycine 168.0281 17.32 [M-H]-1 MFCD12974029 168.0337 8.58 [M-H]-1 2-(alpha-D-Galactosyl)-sn-glycerol3-phosphate 168.0416 41.64 [M-H]-1 1-Methylhistidine 168.0780 42.17 [M-H]-1 D-Ribulose 5-phosphate 168.9906 16.72 [M-H]-1 4-Chlorophenylacetate 169.0069 8.03 [M-H]-1 4-Chlorophenylurea 169.0179 8.55 [M-H]-1 2-(Sec-butyldisulfanyl)-1h-imidazole 169.0257 41.05 [M-H-H2O]-1 Nitrosoguvacoline 169.0621 41.65 [M-H]-1 Azelaicacid 169.0868 1.66 [M-H-H2O]-1 Cholesteryl caprylate 169.8343 41.90 [M-H]-1 ADENINE HYDROCHLORIDE 170.0239 0.66 [M-H]-1 Metronidazole 170.0573 42.02 [M-H]-1 beta-Glycerophosphoricacid 171.0045 8.45 [M-H]-1 Glycerol 3-phosphate 171.0064 15.99 [M-H]-1 D-Ribose 171.0275 13.22 [M-H]-1 N-carbamoylglutamic Acid 171.0390 15.78 [M-H]-1 Carglumic acid 171.0409 17.15 [M-H-H2O]-1 9-Oxo-nonanoate 171.1024 1.02 [M-H]-1 Decanoic acid 171.1393 0.32 [M-H]-1 2-{[(1-methyl-1H-pyrazol-5-yl)amino]methylene}malononitrile 172.0615 9.33 [M-H]-1 N-Acetyl-L-glutamate 5-semialdehyde 172.0631 41.99 [M-H]-1 Hexanoylglycine 172.0978 8.89 [M-H]-1 2-Chloromaleylacetate 172.9624 15.77 [M-H]-1 4-Phenolsulfonic acid 172.9915 1.68 [M-H]-1 2-Methylbenzoic acid 172.9987 3.26 [M-H]-1 L-Dehydroascorbate 173.0042 12.63 [M-H]-1 2-Thiouracil 173.0043 0.21 [M-H]-1 Shikimate 173.0469 42.17 [M-H]-1 Subericacid 173.0817 0.41 [M-H]-1 L-Arginine 173.1044 20.22 [M-H]-1 FA 9:0+1O 173.1179 3.57 [M-H]-1 Ethyl lysine 173.1292 20.17 [M-H]-1 3-Hydroxypyridine sulfate 173.9869 1.82 [M-H]-1 3-Chloropropionamide 173.9910 1.73 [M-H]-1 2-hydroxyiminoindane-1,3-dione 174.0233 2.94 [M-H]-1 [FAamino_oxo(6:0/2:0)]2-amino-3-oxo-hexanedioicacid 174.0409 16.08 [M-H]-1 N-Acetyl-L-aspartic acid 174.0410 16.68 [M-H]-1 Histidine 174.0672 42.62 [M-H]-1 L-Citrulline 174.0882 16.44 [M-H]-1 1,1,1-Trifluoro-2,4-pentanedione 174.9981 1.70 [M-H]-1 Orotic acid 175.0144 3.21 [M-H]-1 N-Carbamoyl-L-aspartate 175.0363 41.85 [M-H]-1 4-HydroxyaminoquinolineN-oxide 175.0515 3.18 [M-H]-1 3-n-Propylxanthine 175.0626 41.61 [M-H]-1 3-Propylmalate 175.0627 42.18 [M-H]-1 6-(Cyclopentylideneamino)-1H-pyrimidin-2-one 176.0830 42.58 [M-H]-1 Captamine, TMS derivative 176.0929 12.72 [M-H]-1 L-Galactono-1,4-lactone 177.0404 3.20 [M-H]-1 2,4(1H,3H)-Pteridinedione, 6-methyl- 177.0418 41.99 [M-H]-1 DIISOBUTYL DISULFIDE 177.0780 23.28 [M-H]-1 3,5,6-Trichloro-2-pyridinol 177.9057 44.63 [M-H]-1 2,2',3,3',6,6'-Hexachlorobiphenyl 177.9131 0.19 [M-H]-1 Dichloroisocyanuric acid 177.9134 8.60 [M-H]-1 2-Aminobenzoylacetate 178.0508 9.16 [M-H]-1 Acetylisoniazid 178.0624 41.88 [M-H]-1 1-Aminocyclohexanecarboxylic acid 178.0645 10.31 [M-H]-1 2-Pentenoic acid 178.9725 17.26 [M-H]-1 [Similar to: α-D-Mannose 1-phosphate; ΔMass: -80.0497 Da] 178.9728 16.20 [M-H]-1 S-Methyl-5-thio-D-ribose 179.0382 3.58 [M-H]-1 3-(Methylthio)propanoate 179.0382 3.57 [M-H+HAc]-1 D-Glucopyranose 179.0560 16.16 [M-H]-1 D-(+)-Glucose 179.0560 13.44 [M-H]-1 Theobromine 179.0574 23.63 [M-H]-1 Paraxanthine 179.0575 42.09 [M-H]-1 5-Mercapto-2-nitro-benzoic acid 179.9758 16.68 [M-H]-1 Acamprosate 180.0337 0.29 [M-H]-1 8-Hydroxy-7-methylguanine 180.0529 1.24 [M-H]-1 6-Chloro-2,3,4,5-tetrahydro-1H-3-benzazepine 180.0594 16.21 [M-H]-1 L-Tyrosine 180.0666 13.90 [M-H]-1 5-Chlorouracil 180.9568 16.34 [M-H]-1 4-aminobenzoate 181.0387 16.22 [M-H]-1 3-(2,3-Dihydroxyphenyl)propanoate 181.0505 9.65 [M-H]-1 3,4-Dephostatin, Ethyl- 181.0618 3.61 [M-H]-1 n-methylnicotinamide 181.0621 3.22 [2M-H]-1 L-Iditol 181.0718 13.35 [M-H]-1 Tetrahydropteridine 181.0732 42.02 [M+FA-H]-1 2-phospho-D-glycerate 181.9659 44.84 [M-H]-1 L-Homocysteicacid 182.0127 6.91 [M-H]-1 3_5-Dihydroxy-phenylglycine 182.0461 3.19 [M-H]-1 Creatinine lactate 182.0571 41.80 [M-H-H2O]-1 4-amino-2-hydroxyamino-6-nitrotoluene 182.0573 41.76 [M-H]-1 p-Fluorophenylalanine 182.0652 3.00 [M-H]-1 Cer(d18:1/17:0) 182.8345 11.99 [M-H]-1 4-Mercapto-2-butanone 182.9471 11.80 [M-H]-1 S-Methyl propanethioate 182.9471 11.17 [M-H]-1 3_4-Dihydroxy-2-butanone4-phosphate 183.0064 7.03 [M-H]-1 Polystyrene sulfonate 183.0123 6.79 [M-H]-1 4-[Amino(carboxy)methyl]-5-oxoproline 183.0410 23.00 [M-H-H2O]-1 Trimidox 183.0412 41.60 [M-H]-1 3-Methyl-1,2,4-triazolo[3,4-A]phthalazine 183.0678 41.81 [M-H]-1 OCP_186.0317_15.9 184.0164 4.46 [M-H]-1 Secnidazole 184.0728 41.74 [M-H]-1 Ecgonine 184.0978 12.79 [M-H]-1 PARA-BROMOANISOLE 184.9602 12.83 [M-H]-1 3-Fumarylpyruvate 185.0118 2.97 [M-H]-1 Endothal 185.0457 1.65 [M-H]-1 1-Methylcyclohexane-1,2-dicarboxylic acid 185.0816 0.58 [M-H]-1 (1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol 185.0818 2.77 [M-H+HAc]-1 Undecanoic acid 185.1550 2.81 [M-H]-1 Threonine 186.0383 16.03 [M-H]-1 Homoserine 186.0385 17.31 [M-H]-1 8-Hydroxyguanine 186.0454 10.71 [M-H]-1 N-stearoyl-sphingadienine 186.8287 12.14 [M-H]-1 p-Cresol sulfate 187.0073 1.66 [M-H]-1 2,6-Diaminopurine 187.0144 3.21 [M-H]-1 Xylitol 187.0379 11.45 [M-H]-1 Plumbagin 187.0397 2.19 [M-H]-1 Dehydroacetic acid 187.0418 10.76 [M-H]-1 2-O-Caffeoylglucarate 187.0421 12.38 [M-H]-1 Apigenin 6-C-glucosyl-O-arabinoside 187.0422 12.70 [M-H]-1 Sesamolinol 187.0626 42.61 [M-H]-1 6-hydroxyoct-2-enedioic acid 187.0626 41.89 [M-H]-1 Riboflavin B2 187.0627 42.13 [M-H]-1 N-Acetylglutamine 187.0722 0.62 [M-H]-1 18-Oxocortisol 187.0823 2.12 [M-H]-1 2-aminophenol sulphate 188.0026 1.80 [M-H]-1 Glyceraldehyde 3-phosphate 188.0389 2.93 [M-H]-1 (S)-Spinacine 188.0449 10.72 [M-H]-1 Isoniazid pyruvate 188.0452 10.37 [M-H]-1 Nitrobenzodiazepine 188.0461 12.57 [M-H]-1 (2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate 188.0930 4.93 [M-H]-1 Phosphoryl chloride 188.8261 12.13 [M-2H+K]-1 2,4-Dichlorobenzoate 188.9516 1.18 [M-H]-1 Pyrocatechol sulfate 188.9864 2.28 [M-H]-1 5-Chloro-4-fluoro-2-nitroaniline 188.9865 1.65 [M-H]-1 2,5-Dihydroxybenzenesulfonic Acid 188.9866 2.68 [M-H]-1 Oxalosuccinate 189.0041 7.13 [M-H]-1 DL-2-Amino-3-phosphonopropionic acid 189.9890 17.09 [M-H]-1 N-Acetyl-L-methionine 190.0542 9.88 [M-H]-1 Carbendazim 190.0622 42.59 [M-H]-1 2-Isopropyl-4,6-dimethyl-1,3,5-dithiazinane 190.0736 41.83 [M-H]-1 2,5-Didehydro-D-gluconate 191.0197 16.74 [M-H]-1 Citric acid 191.0197 22.26 [M-H]-1 Isocitric acid 191.0199 22.71 [M-H]-1 L-Quinate 191.0570 23.33 [M-H]-1 1,9-Nonanedithiol 191.0939 42.17 [M-H]-1 PFSM-alcohol; C3H6F3NO3S 191.9951 13.59 [M-H]-1 Nicorandil 192.0417 41.87 [M-H-H2O]-1 2-Methylhippuricacid 192.0667 9.30 [M-H]-1 1-(4-Carboxyphenyl)-3,3-dimethyltriazene 192.0779 42.10 [M-H]-1 trithionic acid 192.8940 4.19 [M-H]-1 3,4,8-trihydroxychromen-2-one 193.0134 9.90 [M-H]-1 3-O-Methyl-d-glucose 193.0715 9.63 [M-H]-1 D-(+)-Mannose 193.0725 41.61 [M-H+HAc]-1 Caffeine 193.0729 41.65 [M-H]-1 Butylparaben 193.0869 2.51 [M-H]-1 1-Octanesulfonic acid 193.0906 3.18 [M-H]-1 Thymine glycol 194.0130 4.12 [M-H]-1 Guanidino succinic acid 194.0165 10.29 [M-H]-1 beta-L-Dioxolane-cytidine 194.0572 41.77 [M-H-H2O]-1 Dimexano 194.9060 3.20 [M-H]-1 [Similar to: Perfluorooctyl phosphate; ΔMass: -248.0358 Da] 194.9366 17.39 [M-H]-1 [Similar to: Perfluorooctyl phosphate; ΔMass: -248.0261 Da] 194.9463 17.02 [M-H]-1 [Similar to: α-D-Mannose 1-phosphate; ΔMass: -64.0757 Da] 194.9468 23.28 [M-H]-1 [Similar to: α-D-Mannose 1-phosphate; ΔMass: -64.0756 Da] 194.9468 22.31 [M-H]-1 [Similar to: D-Glucosamine 6-phosphate; ΔMass: -63.0916 Da] 194.9469 21.93 [M-H]-1 Succinamide 194.9740 43.62 [M-H]-1 dUDP 195.0102 9.85 [M-H]-1 D-Gluconate 195.0501 14.98 [M-H]-1 Alafosfalin 195.0543 4.89 [M-H]-1 m-chlorophenylpiperazine (m-CPP) 195.0697 1.81 [M-H]-1 DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0/i-13:0) 195.8109 10.65 [M-H]-1 DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/i-13:0/0:0) 195.8113 43.27 [M-H]-1 1-Ethyl-1-nitrosourea 195.9760 12.35 [M-H]-1 Tauropine 196.0286 4.43 [M-H]-1 N-Methyl-L-proline 196.0592 13.76 [M-H]-1 Trichloroethylene 196.8950 23.38 [M-H]-1 2-Sulfosuccinic acid 196.9758 17.80 [M-H]-1 Aconitic acid 197.0069 15.73 [M-H]-1 2_4-Dinitrophenylhydrazine 197.0385 3.64 [M-H]-1 Thioxanthene 197.0432 3.21 [M-H]-1 (S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate 197.0571 41.82 [M-H]-1 5-Acetylamino-6-amino-3-methyluracil 197.0679 41.83 [M-H]-1 5-Dodecenoic acid (12:1(n-7)) 197.1545 2.84 [M-H]-1 DG(5-iso PGF2VI/a-13:0/0:0) 197.8079 12.35 [M-H]-1 DG(5-iso PGF2VI/13:0/0:0) 197.8080 10.66 [M-H]-1 Thiocysteine 197.9897 2.14 [M-H]-1 [Similar to: N-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide; ΔMass: -148.0522 Da] 198.0233 2.25 [M-H]-1 S-Carboxymethyl-L-cysteine 198.0234 2.51 [M-H]-1 O-Ureidohomoserine 198.0498 14.97 [M-H]-1 Leucine 198.0749 13.89 [M-H]-1 8-DEMETHYL MEIQX 198.0785 41.62 [M-H]-1 Cer(d18:2(4E,14Z)/20:4(5Z,7E,11Z,14Z)-OH(9)) 198.8084 43.37 [M-H]-1 4-BROMO-2,6-DIMETHYLPHENOL 198.9755 12.38 [M-H]-1 4-Vinylphenol sulfate 199.0073 1.66 [M-H]-1 NCGC00380969-01_C11H7ClN2O_3-(4-Chloro-1,3-oxazol-5-yl)-1H-indole 199.0073 1.63 [M-H-H2O]-1 2-(4-Chlorophenoxy)propionic acid 199.0170 2.79 [M-H]-1 1-CHLORO-2-TRIMETHYLSILOXYBENZENE 199.0357 3.81 [M-H]-1 alpha-Peltatin 199.0590 3.20 [M-H]-1 Lauric acid 199.1702 2.84 [M-H]-1 4-Hydroxy-L-glutamic acid 199.9968 1.84 [M-H]-1 Penicillanic acid 200.0385 9.42 [M-H]-1 DL-Methionine sulfone 200.0410 10.41 [M-H]-1 1-Hydroxy-2-(beta-D-glucosyloxy)-9_10-anthraquinone 200.0484 12.62 [M-H]-1 Dimethylarsinous acid 200.8926 23.28 [M-H]-1 3,4-Dichlorophenoxyacetic acid 200.9544 16.64 [M-H]-1 Fludioxonil-TP CGA 192155 200.9997 1.80 [M-H]-1 D-Erythritol4-phosphate 201.0176 2.72 [M-H]-1 4-Ethylphenylsulfate 201.0229 1.66 [M-H]-1 Chlorphenesin 201.0328 7.50 [M-H]-1 1-(1-Naphthyl)-2-thiourea 201.0490 16.01 [M-H]-1 2-Hydroxypropyl octanoate 201.1491 2.56 [M-H]-1 4-(2-Aminoethyl)benzenesulfonyl fluoride 202.0335 3.10 [M-H]-1 urea glutamate 202.0416 12.81 [M-H]-1 7-Methylsulfenylheptyl isothiocyanate 202.0736 42.91 [M-H]-1 Acetyl-L-carnitine 202.1081 13.79 [M-H]-1 Oxaloglutarate 203.0206 16.34 [M-H]-1 1-Oxo-1,2,4-butanetricarboxylic acid 203.0208 15.95 [M-H]-1 (ALPHA,ALPHA,ALPHA-TRIFLUORO-PARA-TOLYL)ACETIC ACID 203.0329 3.03 [M-H]-1 4H-cyclopenta[def]phenanthrene-4-one 203.0507 11.75 [M-H]-1 Glutamylglycine 203.0672 17.76 [M-H]-1 D-(+)-Tryptophan 203.0828 12.75 [M-H]-1 MMV393995 203.0939 41.83 [M-H]-1 epsilon-(Carboxymethyl)lysine 203.1035 19.00 [M-H]-1 2-Amino-4-phosphonobutyric acid 204.0046 16.41 [M-H]-1 pyrogallol_sulfate 204.9814 1.64 [M-H]-1 2-Thiouric acid 204.9815 1.63 [M+FA-H]-1 4-tert-Octylphenol 205.1598 2.33 [M-H]-1 CE(16:2) 205.8673 42.56 [M-H]-1 3-Hydroxypicolinic acid 206.0107 14.16 [M-H]-1 6-Hydroxynicotinic acid 206.0125 2.15 [M-H]-1 4-(2-Aminophenyl)-2,4-dioxobutanoate 206.0458 8.69 [M-H]-1 2-Acrylamido-2-methyl-1-propanesulfonic acid 206.0488 7.42 [M-H]-1 2-Amino-3-cyclohexylpropanoic acid 206.0955 2.49 [M-H]-1 N-Desmethyl tapentadol 206.1552 41.65 [M-H]-1 3-Chloroperoxybenzoic acid 206.9596 42.07 [M-H]-1 4-Chlorophenylacetic acid 206.9601 44.82 [M-H]-1 Stipitatonate 206.9969 1.83 [M-H]-1 octa-3,5-dienedioic acid 207.0074 13.54 [M-H]-1 3,4-Dihydroxyphenylglycol 207.0098 13.47 [M-H]-1 4-CHLORO-6-(3-FLUOROPHENYL)PYRIMIDINE 207.0137 13.59 [M-H]-1 hydroxycitric acid 207.0147 16.80 [M-H]-1 Aminofurantoin 207.0525 41.79 [M-H]-1 Dambonitol 207.0869 3.28 [M-H]-1 3-Methyl-1-propylxanthine 207.0887 42.12 [M-H]-1 L-Alanine-4-nitroanilide 208.0728 41.68 [M-H]-1 4-Hydroxy-5-methyl-3(2H)-thiophenone 208.9309 43.32 [M-H]-1 2,4,6-Trichloroanisole 208.9311 44.74 [M-H]-1 Fluorouracil 208.9345 16.23 [M-H]-1 Dehydroascorbic acid 208.9859 16.33 [M-H]-1 Deoxycytidine 209.0818 2.41 [M-H]-1 2-Ethylhexyl sulfate 209.0854 1.78 [M-H]-1 Phosphocreatine 210.0284 17.81 [M-H]-1 PARA-CHLOROACETOACETANILIDE 210.0336 3.67 [M-H]-1 alpha-Guanidinoglutaric acid 210.0495 15.79 [M-H]-1 Phenyl-Alanine 210.0784 42.05 [M-H]-1 Cer(d18:1/PGE1) 210.8424 18.67 [M-H]-1 Dialuric acid 210.9948 1.95 [M-H]-1 Vanillactic acid 211.0615 1.91 [M-H]-1 N1-Methyl-2-pyridone-5-carboxamide 211.0723 3.25 [M-H+HAc]-1 1H-Imidazole-1-ethanol, alpha-(1-aziridinylmethyl)-2-nitro- 211.0835 42.39 [M-H]-1 NP-020205 211.0976 2.53 [M-H]-1 Traumatin 211.1339 2.34 [M-H]-1 4`-Bromacetanilide 211.9709 16.53 [M-H]-1 3-Indoxyl sulphate 212.0024 1.89 [M-H]-1 4-hydroxyamino-2,6-dinitrotoluene 212.0309 7.20 [M-H]-1 4-Acetamidobutanoic acid 212.0541 15.55 [M-H]-1 Methyl L-leucinate 212.0905 13.07 [M-H]-1 Cer(d18:1/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 212.8343 44.89 [M-H]-1 Bis-A-tda 213.0020 1.99 [M-H]-1 1-Deoxy-D-xylulose 5-phosphate 213.0174 9.47 [M-H]-1 1-Methyl-3-(2-thiazolyl)-1H-indole 213.0487 16.99 [M-H]-1 metsulfovax 213.0492 16.06 [M-H-H2O]-1 Tridecylic acid 213.1858 2.97 [M-H]-1 DG(18:0/0:0/20:4n3) 213.8382 42.58 [M-H]-1 4-nitro-6-oxohepta-2,4-dienedioic acid 213.9983 1.99 [M-H]-1 [Similar to: L-Aspartic acid; ΔMass: 82.0028 Da] 214.0331 16.38 [M-H]-1 D-(+)-GALACTOSAMINE 214.0486 16.09 [M-H]-1 PE(P-16:0/14:0) 214.8329 19.89 [M-H]-1 PE(14:0/P-16:0) 214.8330 42.36 [M-H]-1 Cer(d20:1/20:3(8Z,11Z,14Z)-2OH(5,6)) 214.8330 19.05 [M-H]-1 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone 214.9084 12.27 [M-H]-1 4-Phospho-D-erythronate 214.9961 10.96 [M-H]-1 1_2-Dihydroxydibenzothiophene 215.0169 15.87 [M-H]-1 2-C-Methyl-D-erythritol 4-phosphate 215.0327 13.84 [M-H]-1 Deoxyribose 5-phosphate 215.0329 13.03 [M-H]-1 Fluoroacetic acid 215.0362 16.91 [M-H]-1 Tyrosine 215.0363 16.43 [M-H]-1 4,4`-Thiodianiline 215.0650 15.95 [M-H]-1 3-phospho-hydroxypyruvate 215.9255 44.08 [M-H]-1 N,N-Bis(2-chloroethyl)aniline 216.0360 16.09 [M-H]-1 Glucosaminic acid 216.0489 16.11 [M-H]-1 2',3'-Dideoxyadenosine 216.0889 42.17 [M-H-H2O]-1 Pymetrozine 216.0890 42.92 [M-H]-1 γ-Glutamyl-L-putrescine 216.1349 20.75 [M-H]-1 Methylselenopyruvate 216.9052 11.87 [M-H]-1 diiodo-4-hydroxyphenylpyruvate 216.9235 44.55 [M-H]-1 Fosfomycin 216.9281 17.56 [M-H]-1 [Similar to: NP-016596; ΔMass: -168.1748 Da] 217.0120 12.36 [M-H]-1 Tyrosol 4-sulfate 217.0177 1.92 [M-H]-1 3-Deoxy-3-fluoro-D-glucose 217.0298 15.94 [M-H]-1 (E)-1-TRIMETHYLGERMYL-2-TRIMETHYLSILYLETHYLENE 217.0483 13.35 [M-H]-1 4-[4-(Dimethylamino)phenyl]-3H-1,2,4-triazole-3,5(4H)-dione 217.0729 42.62 [M-H]-1 Glu-Ala 217.0831 12.66 [M-H]-1 N2-(D-1-Carboxyethyl)-L-lysine 217.1187 18.46 [M-H]-1 O-Succinyl-L-homoserine 218.0682 42.27 [M-H]-1 (R)-Pantothenate 218.1032 10.73 [M-H]-1 5-CHLORO-4-CYANO-3-PHENYLISOTHIAZOLE 218.9798 2.52 [M-H]-1 Methylpyrogallol sulfate 3 218.9969 1.82 [M-H]-1 1,2-O-Isopropylidene-D-glucofuranose 219.0871 8.11 [M-H]-1 9-methanesulfinylnonanoic acid 219.1067 10.16 [M-H]-1 15-CROWN-5 219.1235 3.17 [M-H]-1 2-Hydroxytrichodiene 219.1750 2.34 [M-H]-1 CE(7F7) 219.8456 9.87 [M-H]-1 DG(20:0/0:0/18:2n6) 219.8551 43.32 [M-H]-1 N-Acetyl-S-(3-hydroxypropyl)cysteine 220.0647 3.16 [M-H]-1 fenamole 220.0840 42.22 [M-H+HAc]-1 N-(2,3,4-Trihydroxybutyl)-L-valine 220.1187 15.05 [M-H]-1 Cer(d20:1/PGF1alpha) 220.8531 43.47 [M-H]-1 Aminomethylphosphonic acid 221.0120 10.89 [M-H]-1 L-Ascorbic acid 221.0309 44.31 [M-H]-1 2,5-Anhydro-D-mannose 221.0680 41.65 [2M+FA-H]-1 PA(20:4(6E,8Z,11Z,14Z)+=O(5)/i-13:0) 221.8008 42.18 [M-H]-1 Dehydrospermidine 222.0619 15.96 [M-H]-1 XDP 223.0197 0.31 [M-H]-1 Cysteinyl-Cysteine 223.0202 1.97 [M-H]-1 2-(Methylsulfonyl)-3-(pyrazin-2-ylamino)acrylonitrile 223.0280 2.23 [M-H]-1 [(2S,3S,4S,5S,6R)-4,5-Dihydroxy-2,6-dimethyloxan-3-yl] hydrogen sulfate 223.0283 2.42 [M-H-H2O]-1 3-Keto-b-D-galactose 223.0463 1.67 [M-H]-1 etofylline 223.0823 10.35 [M-H]-1 2-(Difluoromethyl)arginine 223.1012 1.76 [M-H]-1 PA(20:3(8Z,11Z,14Z)-2OH(5,6)/12:0) 223.7980 41.69 [M-H]-1 DG(18:1n9/0:0/22:2n6) 223.8496 8.83 [M-H]-1 Furazolidone 224.0317 2.40 [M-H]-1 2,2'-Anhydrocytidine 224.0677 41.86 [M-H]-1 Dibromochloromethane 224.8189 8.87 [M-H]-1 TGASO 225.0077 2.56 [M-H+HAc]-1 Megazol 225.0190 1.06 [M-H]-1 Glucoheptonic acid 225.0617 15.96 [M-H]-1 L-Carnosine 225.0990 17.83 [M-H]-1 (9Z)-Tetradecenoicacid 225.1861 2.71 [M-H]-1 (R)-pantoate 225.9865 16.35 [M-H]-1 Thiolutin 226.9964 16.94 [M-H]-1 2-Methylcitrate 227.0160 0.82 [M-H]-1 Antigastrin 227.0648 15.83 [M-H]-1 Indole-3-acetonitrile, TMS derivative 227.1010 20.68 [M-H]-1 Myristic Acid 227.2013 2.98 [M-H]-1 2-Furoylglycine 228.0488 16.07 [M-H+HAc]-1 2-Methoxy-10H-phenothiazine 228.0491 16.49 [M-H]-1 2-(Fluoromethyl)-3-(3,4-dihydroxyphenyl)alanine 228.0683 15.88 [M-H]-1 (E)-3-(2-(1H-Tetrazol-5-YL)vinyl)-6-fluoro-1H-indole 228.0700 2.93 [M-H]-1 N-Hydroxy-meIQX 228.0890 43.28 [M-H]-1 3,5-Dinitrobenzoyl chloride 228.9662 8.84 [M-H]-1 2-Phenylpropionate 228.9860 12.82 [M-H]-1 2,6-Dithiopurine 228.9861 12.49 [M-H]-1 D-ribose 5-phosphate 229.0114 16.70 [M-H]-1 D-Xylulose 5-phosphate 229.0118 17.05 [M-H]-1 Vanilpyruvic acid 229.0521 16.39 [M-H+HAc]-1 Pro-Asp 229.0827 17.13 [M-H]-1 Benzenesulfonamidothiourea 230.0068 16.55 [M-H]-1 N-Methyl-L-methionine 230.0464 13.86 [M-H]-1 Valine 230.0644 16.15 [M-H]-1 L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)- 230.0856 2.36 [M-H]-1 g-Aminobutyryl-lysine 230.1504 19.75 [M-H]-1 Adenylo-succinate 230.5296 22.40 [M-2H]-2 UNII:TER5ZXE00D 231.0520 9.19 [M-H]-1 PEG-4 231.0635 3.04 [M-2H+K]-1 N4-Phosphoagmatine 231.0639 3.03 [M-H]-1 Arginine hydrochloride 231.0640 3.00 [2M+FA-H]-1 (2S)-2-[(2-Carboxy-2-oxoethyl)amino]pentanedioic acid 232.0469 16.28 [M-H]-1 furalazine 232.0484 9.21 [M-H]-1 8-Methylsulfinyloctyl isothiocyanate 232.0839 41.99 [M-H]-1 Hydroxypropionylcarnitine 232.1190 9.62 [M-H]-1 1-(2-Thienyl)-1,2-propanedione 232.9296 44.75 [M-H]-1 Protocatechuic acid 3-O-sulfate 232.9755 21.16 [M-H]-1 3,5-DICHLORO-2,6-DIMETHOXYTROPONE 232.9779 2.39 [M-H]-1 Hydroxytyrosol 3'-sulfate 233.0124 1.80 [M-H]-1 2-(2-Hydroxyphenyl)benzenesulfinate 233.0278 0.55 [M-H]-1 12,13-Epoxytrichothec-9-ene 233.1545 42.29 [M-H]-1 2-(8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl)acrylic acid 233.1545 2.30 [M-H]-1 3-chlorobenzoate 233.8931 12.63 [M-H]-1 2-Mercaptonicotinic acid 233.9183 9.16 [M-H]-1 Gangliotetraose 234.7618 43.38 [M-H]-1 (1Z)-2-Amino-4-methyl-N-(1-phosphonovinyl)pentanimidic acid 235.0855 2.80 [M-H]-1 DG(18:0/0:0/TXB2) 235.8405 45.00 [M-H]-1 DG(18:1(12Z)-2OH(9,10)/i-22:0/0:0) 235.8588 43.08 [M-H]-1 DG(18:1(12Z)-2OH(9,10)/0:0/22:0) 235.8642 44.62 [M-H]-1 Selenocysteine 235.9416 16.44 [M-H]-1 O-Phosphothreonine 235.9737 43.56 [M-H]-1 2-Fluoro-5-hydroxy-L-phenylalanine 236.0149 16.40 [M-H]-1 S-Cysteinosuccinic acid 236.0210 13.52 [M-H]-1 N-Lactoylphenylalanine 236.0930 9.31 [M-H]-1 3-Iodopropanoic acid 236.8788 41.71 [M-H]-1 L-Dihydroorotic acid 236.9524 1.39 [M-H]-1 6-Fluorohomovanillic acid 236.9988 16.48 [M-H]-1 1,4-Butanediphosphonic acid 237.0078 9.65 [M-H]-1 3-Deoxy-α-D-manno-octulosonate 237.0629 41.77 [M-H]-1 chloromebuform 237.1167 1.74 [M-H]-1 PA(22:1(13Z)/15:0) 237.8345 12.04 [M-H]-1 ACETALDEHYDE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME 238.0306 15.56 [M-H]-1 (3s)-3-(Benzyloxy)-L-Aspartic Acid 238.0713 8.04 [M-H]-1 Ethoxazolamide 238.9940 14.43 [M-H]-1 Methacrifos 239.0151 13.08 [M-H]-1 Alizarin 239.0343 16.27 [M-H]-1 L-Tryptophan 239.0589 8.45 [M-H]-1 6-Hydroxy-2-succinylcyclohexa-2_4-diene-1-carboxylate 239.0590 12.48 [M-H]-1 L-Anserine 239.1146 17.80 [M-H]-1 CYCLOPENTADECANOLIDE 239.2013 2.71 [M-H]-1 S-Allylcysteine 239.9701 0.23 [M-H]-1 Allyl cysteine 239.9712 3.75 [M-H]-1 6-Deoxy-5-ketofructose 1-phosphate 241.0122 7.98 [M-H]-1 L-Cysteine 241.0302 1.80 [M-H]-1 [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 241.0720 0.48 [M-2H]-2 [Similar to: Creatine; ΔMass: 111.0293 Da] 241.0915 15.03 [M-H]-1 Pentadecanoic acid 241.2170 2.73 [M-H]-1 2-Propylthiazolo[4,5-c]quinolin-4-amine 242.0758 14.98 [M-H]-1 LPE O-2:0 242.0798 19.25 [M-H]-1 Dithiophosphoric acid 242.9185 12.82 [M-H]-1 beta-D-Glucopyranosylurea 243.0593 16.23 [M-H]-1 Pro-Glu 243.0994 42.94 [M-H]-1 N-(6-Aminohexanoyl)-6-aminohexanoate 243.1707 11.44 [M-H]-1 ETHYLENEGLYCOL MONOLAURATE 243.1962 2.99 [M-H]-1 2-Hydroxy-L-methionine 243.9678 10.90 [M-H]-1 2-Hydroxy-1,4-benzoxazin-3-one sulfate 243.9919 1.89 [M-H]-1 3-phospho-L-serine 244.0226 16.24 [M-H]-1 N-(4-Pyridinyl)-1H-indol-1-amine 244.0654 8.68 [M-H]-1 [Similar to: Eprosartan ; ΔMass: -179.0371 Da] 244.1013 2.35 [M-H]-1 4-Ketoretinoic acid glucuronide 244.1014 2.57 [M-H]-1 3-[3-(Sulfooxy)phenyl]propanoic acid 245.0124 3.17 [M-H]-1 SM(d18:1/18:2(10E,12Z)+=O(9)) 245.8446 16.17 [M-H]-1 Asp-Asp 247.0566 18.36 [M-H]-1 Pentanamide 247.1656 20.01 [M-H]-1 TETRAPROPOXYMETHANE 247.1910 2.82 [M-H]-1 Phosphodimethylethanolamine 247.9705 16.47 [M-H]-1 Erdosteine 248.0055 1.83 [M-H]-1 2-benzoyl-3-(2-pyridylamino)acrylonitrile 248.0800 0.40 [M-2H]-2 Alprenolol 248.1653 2.41 [M-H]-1 OxidizedPhotinusluciferin 248.9787 4.58 [M-H]-1 Bisphenol S 249.0220 13.36 [M-H]-1 2-Methylbutyl beta-D-glucopyranoside 249.1338 2.69 [M-H]-1 Trichodermol 249.1495 2.42 [M-H]-1 ACROLEIN O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME 250.0305 16.87 [M-H]-1 Phosphorylcholine 250.0477 44.75 [M-H]-1 Malonyldaidzin 250.0478 44.28 [M-H]-1 Bis-gamma-glutamylcystine 250.0611 2.14 [M-H]-1 Pirprofen 250.0636 2.18 [M-H]-1 cartilagineal 250.9815 8.87 [M-H]-1 2-(Trifluoromethyl)benzhydrol 251.0691 2.82 [M-H]-1 2'-Deoxyinosine 251.0787 41.80 [M-H]-1 4-(3-Phosphonopropyl)piperazine-2-carboxylic acid 251.0801 2.44 [M-H]-1 7-Hexadecynoic acid 251.2016 3.05 [M-H]-1 ACETONE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME 252.0462 15.02 [M-H]-1 Neopterin 252.0732 1.79 [M-H]-1 Dimethyl 2-oxoglutarate 252.9657 2.72 [M-H]-1 (4S,5S)-2-(BROMOMETHYL)-4,5-BIS(METHOXYMETHYL)-1,3-DIOXOLANE 253.0090 15.94 [M-H]-1 Diethyl succinate 253.0091 15.90 [M-H+HAc]-1 N-acetyl zonisamide 253.0300 13.22 [M-H]-1 L-Djenkolic acid 253.0305 12.91 [M-H]-1 2-(beta-D-Glucosyl)-sn-glycerol 253.0924 9.14 [M-H]-1 Palmitoleate 253.2170 2.98 [M-H]-1 D-Glucosaminic acid 254.0879 16.01 [M-H]-1 Hydroxybupropion 254.0959 9.60 [M-H]-1 Ascorbic acid 2-sulfate 254.9813 1.87 [M-H]-1 L-Ascorbic acid 2-sulfate 254.9816 2.04 [M-H]-1 4-Methylumbelliferone sulfate 254.9971 8.81 [M-H]-1 1-[2-[3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone 255.0876 0.96 [M-2H]-2 (2Z,4Z)-2-Hydroxyhexa-2,4-dienoate 255.0880 0.24 [2M-H]-1 Palmitate 255.2325 3.48 [M-H]-1 Ethyl myristate 255.2328 2.98 [M-H]-1 PA(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 255.8221 43.41 [M-H]-1 Homocitrulline 256.0912 16.22 [M-H]-1 Decanoylcholine 256.2361 12.41 [M-H]-1 PS(18:3(10,12,15)-OH(9)/16:0) 256.8216 10.54 [M-H]-1 METHYL DIBROMOPYRUVATE 256.8463 4.31 [M-H]-1 Pesticide3_Metobromuron_C9H11BrN2O2_Urea, N'-(4-bromophenyl)-N-methoxy-N-methyl- 256.9941 3.70 [M-H]-1 5-Dehydro-2-deoxy-D-gluconate 6-phosphate 257.0069 3.18 [M-H]-1 [Similar to: D-(-)-Glutamine; ΔMass: 112.0136 Da] 257.0755 16.01 [M-H]-1 D-Glucosamine 6-phosphate 258.0378 16.74 [M-H]-1 1-(6-Aminopurin-9-yl)-5-methylpyrimidine-2,4-dione 258.0747 12.31 [M-H]-1 N-Acetylglucosaminitol 258.0748 12.71 [M+Cl]-1 3'-Sialyl-3-fucosyllactose 258.7641 12.35 [M-H]-1 D-Fructose 1-phosphate 259.0220 17.83 [M-H+HAc]-1 β-D-Fructose 6-phosphate 259.0224 18.21 [M-H]-1 Pyrano(2,3-c)pyrazol-6(2H)-one, 3,4-dimethyl-2-(2-thienylmethyl)- 259.0541 16.37 [M-H]-1 1-(1-hydroxybutyl)-1,3,4,5,6,7-hexahydro-2-benzofuran-4,5,6,7-tetrol 259.1186 7.64 [M-H]-1 Leucyl-Glutamate 259.1292 2.55 [M-H+HAc]-1 Carisoprodol 259.1658 2.98 [M-H]-1 MG 11:0 259.1909 2.51 [M-H]-1 Tris(2-hydroxyethyl) isocyanurate 260.0884 17.52 [M-H]-1 Lotaustralin 260.1137 16.31 [M-H]-1 Hydroxyphenyllactic acid 260.9750 17.68 [M-H+HAc]-1 3-Hydroxyphenyllactate 260.9751 17.55 [M-H]-1 Dihydrocaffeic acid 3-sulfate 261.0073 2.97 [M-H]-1 Homovanillicacidsulfate 261.0073 7.85 [M-H]-1 5-Methoxy-2-(methylthio)-1,3-thiazino[6,5-b]indole 261.0159 16.28 [M-H]-1 N-Acetyl-serylaspartic acid 261.0722 18.21 [M-H]-1 METHYLMALONIC ACID BIS(TRIMETHYLSILYL) ESTER 261.0981 2.90 [M-H]-1 L-Alanyl-L-leucine 261.1449 2.41 [M-H+HAc]-1 PFSM-perfluoroalkyl_sulfonamide_Me; C4H4F7NO2S 261.9784 16.53 [M-H]-1 1,2,3,4-Tetrachloronaphthalene 262.8999 12.67 [M-H]-1 4-Methoxyphenol sulfate 263.0228 2.24 [M-H+HAc]-1 Temodox 263.0679 13.74 [M-H]-1 Glutamyl-S-methylcysteine 263.0709 2.15 [M-H]-1 Coenzyme Q9 263.8687 11.83 [M-H]-1 L-Glutamyl 5-phosphate 263.9688 13.59 [M-H]-1 L-Glutamic acid 5-phosphate 263.9689 13.50 [M-H]-1 4-Hydroxyclonidine 264.0154 3.55 [M-H]-1 (E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid 265.1081 8.12 [M-H]-1 N6-Pyridyl-pyrrolidinyl-adenine 265.1210 2.71 [M-H]-1 Deoxyartemsinin 265.1438 2.66 [M-H]-1 NP-012534 265.1478 1.71 [M-H]-1 Tetraethylene glycol, TMS derivative 265.1478 41.54 [M-H]-1 Hydroxysphingomyeline C22:1 265.8658 11.70 [M-H]-1 PE(18:0/22:0) 265.8660 11.83 [M-H]-1 O-Phosphohomoserine 266.0044 16.24 [M-H]-1 Adenosine 266.0891 9.21 [M-H]-1 Agaritine 266.1160 11.82 [M-H]-1 3-Chlorobiphenyl 266.9578 17.37 [M-H]-1 4-Chlorobiphenyl 266.9625 1.45 [M-H]-1 1-Hydroxy-2-naphthoic acid 266.9628 12.62 [M-H]-1 Inosine 267.0731 11.32 [M-H]-1 9-(2-Aminopurin-9-yl)purin-2-amine 267.0868 9.06 [M-H]-1 Prenyl glucoside 267.1269 0.29 [M-H]-1 10Z-Heptadecenoic acid 267.2326 2.57 [M-H]-1 D-threo-isocitrate 267.9110 11.79 [M-H]-1 Alinidine 268.0409 16.02 [M-H]-1 Lagociclovir 268.0858 17.02 [M-H]-1 his-asn 268.1037 15.95 [M-H]-1 1,1-Dibromo-1-chloro-2-propanone 268.8002 9.63 [M-H]-1 Arctic acid 268.9737 17.36 [M-H]-1 Leflunomide 269.0544 11.40 [M-H]-1 1,4-Dihydro-4-imino-1-β-D-ribofuranosyl-3-pyridinecarboxylic acid 269.0772 10.79 [M-H]-1 Cadusafos 269.0801 2.62 [M-H]-1 sorbitol lactate 269.0874 13.80 [M-H]-1 2-Hydroxydodecyl methacrylate 269.2118 2.98 [M-H]-1 SM(d18:1/24:1) 269.8894 44.49 [M-H]-1 Clopidol 269.9080 11.92 [M-H]-1 TG(14:1(9Z)/18:3(9Z,12Z,15Z)/O-18:0) 269.9082 12.23 [M-H]-1 gamma-Carboxyglutamic acid 269.9607 1.92 [M-H]-1 MERCARPHON 270.0029 21.91 [M-H]-1 N-(3,4-DICHLOROPHENYLCARBAMOYL)-2-PYRROLIDONE 271.0037 13.56 [M-H]-1 Arbutin;Arbutoside 271.0810 20.16 [M-H]-1 16-Hydroxyhexadecanoic acid 271.2274 2.98 [M-H]-1 Stepronin 272.0070 13.56 [M-H]-1 amidithion 272.0184 14.83 [M-H]-1 Adefovir 272.0541 12.91 [M-H]-1 Ketamine 272.0648 16.30 [M-H]-1 N5-Methylglutamine 273.0701 16.36 [M-H]-1 5-Methoxyuridine 273.0724 19.02 [M-H]-1 Acetarsol 273.9704 16.50 [M-H]-1 Picric acid 273.9977 13.60 [M-H]-1 N2-gamma-Glutamylglutamine 274.1040 17.21 [M-H]-1 Pyrodone 274.1811 42.50 [M-H]-1 2-Thioxothiazolidine-4-carboxylic acid 274.9637 23.72 [M-H]-1 Isopropyl-beta-D-thiogalactopyranoside 275.0361 2.41 [M-2H+K]-1 (2R,3S)-4-(TERT-BUTYLDIMETHYLSILYLOXY)BUTAN-1,2,3-TRIOL 1,3-ISOPROPYLIDENE ACETAL 275.1686 41.86 [M-H]-1 Neridronic acid 276.0396 2.40 [M-H]-1 PGP(18:1(12Z)-2OH(9,10)/i-14:0) 276.4790 12.28 [M-H]-1 Fenthion 277.0139 9.36 [M-H]-1 1-(2-Deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,2-dihydropyrimidine 277.0597 6.60 [M-H]-1 [FA(18:0)]12R_13S-epoxy-9Z-octadecenoicacid 277.2172 2.98 [M-H-H2O]-1 Cidofovir 278.0545 12.25 [M-H]-1 Biotin amide 278.0729 3.74 [M-H]-1 5'-Methylthioadenosine 278.0730 7.07 [M-H]-1 Cucurbitacin B 278.1526 3.31 [M-H]-1 1-(5-Phospho-β-D-ribosyl)-AMP 278.5281 16.75 [M-2H]-2 NP-000615 279.0389 9.26 [M-H]-1 Levosimendan 279.1000 2.49 [M-H]-1 Xylometazoline HCl 279.1633 1.70 [M-H]-1 Linoleic Acid 279.2327 2.98 [M-H-H2O]-1 Linoleate 279.2329 2.98 [M-H]-1 Para-Iodoamphetamine 279.9955 2.09 [M-H]-1 Methyl 2-amino-3-(4-chlorophenyl)propanoate 280.0360 8.51 [M-H]-1 Phosphohistidine 280.0362 9.32 [M-H]-1 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-Quinoline-3-carboxylic acid 280.0424 9.24 [M-H]-1 9-Riburonosyladenine 280.0700 3.63 [M-H]-1 Prolyl-Glutamine 280.0702 7.63 [M-H]-1 Propan-2-yl 3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate 280.0776 13.89 [M-H]-1 Dimethylallylpyrophosphate 280.9785 44.77 [M-H]-1 Glucose 6-phosphate 281.0037 17.93 [M-H]-1 1-Methoxy-2'-(methylsulfanyl)-1,2-dihydro-4'H-spiro[indole-3,5'-[1,3]thiazol]-2-ol 281.0423 8.68 [M-H]-1 Niflumic Acid 281.0540 9.47 [M-H]-1 N2-3-(Pyrrolidin-2-yl)pyridine-guanine 281.1158 2.68 [M-H]-1 Penconazole 282.0567 15.50 [M-H]-1 Isopentenyl pyrophosphate 282.9574 16.62 [M-H]-1 DIBUTYLIODOMETHYLSILANE 283.0398 9.11 [M-H]-1 5-Methyl-N-(5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide 283.0577 17.15 [M-H]-1 LPA 7:0 283.0951 2.71 [M-H]-1 N1-[5-(4-fluoroanilino)penta-2,4-dienylidene]-4-fluoroaniline hydrochloride 283.1103 2.69 [M-H]-1 Articaine 283.1134 15.01 [M-H]-1 16-Ketoestrone 283.1328 20.33 [M-H]-1 2-Tetradecylglycidate 283.2269 2.97 [M-H]-1 Stearate 283.2636 3.39 [M-H]-1 Stearic acid 283.2639 2.98 [M-H]-1 D-myo-inositol (1,2,3,5,6) pentakisphosphate 283.9064 43.56 [M-H]-1 5-[(Aminooxy)sulfonyl]-2,4-dichlorobenzoic acid 283.9202 3.55 [M-H]-1 3,5-Dichloro-L-tyrosine 283.9606 16.40 [M-H]-1 Cladribine 284.0554 3.28 [M-H]-1 Dibromodichloromethane 284.7748 8.94 [M-H]-1 (2,4‐dihydroxyphenyl)oxidanesulfonic acid 284.9103 23.12 [M-H]-1 Thioxanthine monophosphate 284.9466 11.96 [M-H]-1 L-Cystine 285.0234 16.12 [M-H]-1 GDP-β-L-colitose 285.5359 15.74 [M-2H]-2 TG(14:0/18:1(9Z)/20:0) 285.9183 3.76 [M-H]-1 Isomazole 286.0650 16.41 [M-H]-1 Triclosan 286.9435 11.84 [M-H]-1 2'-Deoxyuridine 287.0876 7.20 [M-H+HAc]-1 3-Carbamoyl-2-phenylpropionic acid 287.9859 16.31 [M-H]-1 S-(3-Oxo-3-carboxy-n-propyl)cysteine 288.0136 13.97 [M-H]-1 N-acetyl-2-carboxy Benzenesulfonamide 288.0185 6.85 [M-H]-1 Chloropyramine 288.1273 2.99 [M-H]-1 PS(22:4(7Z,10Z,13Z,16Z)/18:1(12Z)-2OH(9,10)) 288.8404 12.15 [M-H]-1 PS(PGJ2/20:0) 288.8405 11.93 [M-H]-1 3,5-Dichloro-2,6-dihydroxybenzoic acid 288.9218 9.28 [M-H]-1 Uridine 5'-diphosphoglucuronic acid 289.0092 18.38 [M-2H]-2 TD8600000 289.0166 13.54 [M-H]-1 γ-L-Glutamyl-(S)-trans-1-propenyl-L-cysteine 289.0871 0.62 [M-H]-1 L-Arginino-succinate 289.1147 18.62 [M-H]-1 Hemi-babim 289.1212 3.37 [M-H]-1 ValylIsoleucine 289.1762 3.05 [M-H+HAc]-1 3,3-Diphenylpyrrolidine 290.1162 2.60 [M-H]-1 PS(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/20:5(5Z,8Z,11Z,14Z,17Z)) 290.8042 0.18 [M-H]-1 PS(18:1(11Z)/TXB2) 290.8374 12.17 [M-H]-1 8-Hydroxydihydrodaidzein 291.0682 7.27 [M-H]-1 1,3-Diphenylpropyl hydrogen sulfate 291.0685 8.61 [M-H]-1 N2-2-Naphthylamine-guanine 291.1003 2.55 [M-H]-1 Argininosuccinic acid 291.1309 16.13 [M-H]-1 Heptopyranosides 291.1445 2.62 [M-H]-1 Benzoyl L-arginine methyl ester 291.1475 3.79 [M-H]-1 4-methylpentadecanoic acid 291.2094 0.43 [M-H]-1 3-Methylhexanoyl-CoA 292.0583 15.99 [M-H]-1 3,5-Dibromo-4-hydroxybenzoic acid 292.8450 1.41 [M-H]-1 Laurinterol 293.0548 8.00 [M-H]-1 N6-(1-Methoxy-3-indolylmethyl)-adenine 293.1155 2.59 [M-H]-1 1-DIETHOXYPHOSPHORYL-4-HYDROXY-NONAN-2-ONE 293.1525 2.49 [M-H]-1 [6]-Gingerol 293.1756 7.18 [M-H]-1 NP-006255 293.1791 1.68 [M-H]-1 PGP(20:3(8Z,11Z,14Z)-2OH(5,6)/16:0) 293.8227 44.65 [M-H]-1 Glucosamine 6-sulfate 294.0055 1.91 [M-H]-1 [Similar to: Creatine; ΔMass: 164.0060 Da] 294.0682 15.00 [M-H]-1 Citalopram aldehyde 294.0933 13.07 [M-H]-1 N-a-Acetyl-L-arginine 295.0402 13.59 [M-H]-1 pyroglutamylmethionine 295.0519 16.08 [M-H]-1 3,6-Dioxaoctanedioic acid, TMS derivative 295.0847 1.87 [M+FA-H]-1 Octanoyl-glycerone 3-phosphate 295.0951 2.82 [M-H]-1 Deoxynivalenol 295.1188 9.89 [M-H]-1 methyl 2-[4-ethenyl-2,6-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoate 295.1547 2.98 [M-H]-1 PS(14:0/LTE4) 295.8195 44.58 [M-H]-1 N-(3,5-Dichloro-4-hydroxyphenyl)-2-hydroxybenzamide 295.9896 15.66 [M-H]-1 MMV099637 296.1216 8.80 [M-H]-1 1-Bromo-3-iodoacetone 296.8197 23.45 [M-H]-1 Phoxim 297.0471 2.28 [M-H]-1 6-Methylthioinosine 297.0669 41.87 [M-H]-1 PA 7:0 297.0735 17.00 [M-H]-1 LPA 8:0 297.1111 2.82 [M-H]-1 Ostruthin 297.1530 2.18 [M-H]-1 2-Oxooctadecanoicacid 297.2431 0.28 [M-H]-1 Nonadecanoicacid 297.2790 3.46 [M-H]-1 Nonadecanoic acid 297.2798 2.69 [M-H]-1 PGP(a-17:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 297.8225 43.24 [M-H]-1 S-(1,2-dichlorovinyl)-L-cysteine sulfoxide 297.9297 3.68 [M-H]-1 pentiapine 298.1142 15.98 [M-H]-1 Me-SPA6C 299.0971 16.18 [M-H]-1 Octadeca-8,10,12-trienoic acid 299.1971 3.06 [M-H]-1 (R)-10-Hydroxystearate 299.2587 2.98 [M-H]-1 Methyl dioxindole-3-acetate 299.9853 12.36 [M-H]-1 2'-Deoxyguanosine 5'-monophosphate (dGMP) 300.0484 16.65 [M-H]-1 N-Acetyl-α-D-glucosamine 1-phosphate 300.0484 17.23 [M-H]-1 Glutaminylserine 300.0808 16.37 [M-H]-1 6-Guanidino-2-oxocaproic acid 300.0813 16.63 [M-H]-1 Hexadecylamine 300.3038 12.02 [M-H]-1 Cer(d20:1/18:3(9,11,15)-OH(13)) 300.7488 12.66 [M-H]-1 Erythrityl Tetranitrate 300.9912 15.32 [M-H]-1 L-Hydroxyprolylglycine 301.0650 16.33 [M-H]-1 Butyl 3-(2-butoxy-2-oxoethyl)-3-hydroxy-4-oxo-2-oxetanecarboxylate 301.1290 2.54 [M-H]-1 L-threo-sphinganine 301.3023 12.07 [M-H]-1 N-acetylglutamyl-phosphate 301.9819 4.49 [M-H]-1 Hpmpa 302.0663 9.57 [M-H]-1 Tsitsikammamine A 302.0929 11.81 [M-H]-1 7-Chloroemodin 303.0073 15.50 [M-H]-1 (+)-Taxifolin 303.0503 11.56 [M-H]-1 4-(6-Carbamoyl-5-formyl-2H-pyran-4-yl)-5-formyl-2H-pyran-6-carboxamide 303.0634 9.20 [M-H]-1 Arofylline 303.0640 9.48 [M-H]-1 meso-Diaminopimelate 303.0808 16.15 [M-H+TFA]-1 Propaphos 303.0829 9.27 [M-H]-1 N-Acetylaspartylglutamicacid 303.0830 8.80 [M-H]-1 N-Acetyl-1-aspartylglutamic acid 303.0831 17.17 [M-H]-1 3-METHYLADIPIC ACID DI-TMS 303.1447 2.64 [M-H]-1 Kauralexin A1 303.2322 2.87 [M-H]-1 Cer(d18:0/5-iso PGF2VI) 303.7651 42.29 [M-H]-1 Phenamil 304.0704 13.56 [M-H]-1 Convicine 304.0786 3.33 [M-H]-1 Leucyl-Lysine 304.1872 19.72 [M-H]-1 Isoleucyl-Lysine 304.1879 18.94 [M-H]-1 (2,5)-Decadienoyl-CoA 304.7068 8.45 [M-H]-1 Pelargonidin 305.0234 44.75 [M-H]-1 3'-Deoxythymidine-5'-monophosphate 305.0546 10.20 [M-H]-1 Monoacetyldapsone hydroxylamine 305.0603 9.68 [M-H]-1 Glycerophosphoglycerol 305.0642 16.05 [M-H]-1 Glutathione disulfide 305.0682 19.00 [M-2H]-2 Dehydrowarfarin 305.0818 1.85 [M-H]-1 9-Chloro-10-hydroxyhexadecanoic acid 305.1890 3.32 [M-H]-1 S-(2-Carboxyethyl)-L-cysteine 306.0263 1.23 [M-H]-1 N-Sulfotyrosine 306.0320 1.90 [M-H]-1 L-Glutathione (reduced) 306.0763 16.20 [M-H]-1 Carbocysteine-lysine 306.1131 2.44 [M-H]-1 PC(24:0/PGJ2) 306.8743 12.18 [M-H]-1 Chloralose 306.9555 2.15 [M-H]-1 3-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide 307.0740 16.98 [M-H]-1 Alprazolam 307.0743 16.69 [M-H]-1 Clobenpropit 307.0776 0.63 [M-H]-1 Warfarin 307.0978 10.17 [M-H]-1 Anserine 307.1017 17.82 [M-H]-1 (S)-4-Amino-5-oxopentanoate 307.1144 17.46 [2M+FA-H]-1 n-octyl-beta-D-thioglucopyranoside 307.1581 2.38 [M-H]-1 Baquiloprim 307.1678 2.56 [M-H]-1 NCGC00380218-01!(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol [IIN-based: Match] 307.1759 2.84 [M-H]-1 3,7-DIMETHYL-10-(N-METHYLPIPERAZINYLCARBAMOYL)-(E)-7-DECEN-2-ONE 307.2398 2.18 [M-H]-1 Undecaprenyl diphosphate 307.8729 11.98 [M-H]-1 [Similar to: Phosphocreatine; ΔMass: 97.9763 Da] 308.0048 17.82 [M-H]-1 N-Acetyl-β-neuraminate 308.0985 17.33 [M-H]-1 TRIPHENYLPHOSPHITE 309.0677 15.81 [M-H]-1 Cl-amidine 309.1124 12.30 [M-H]-1 5-ACETOXY-3-METHOXY-4,6-DIMETHYL-(6S)-((2R)-2-METHYLBUTYRYLOXY)-2,4-CYCLOHEXADIEN-1-ONE 309.1338 2.63 [M-H]-1 Tetranor-PGEM 309.1338 2.63 [M-H-H2O]-1 Delgocitinib 309.1476 2.58 [M-H]-1 Testosterone 309.1839 2.64 [M-H]-1 Cer(t18:0/20:3(6,8,11)-OH(5)) 309.7698 12.08 [M-H]-1 Flurochloridone 310.0010 9.19 [M-H]-1 9,10-Dimethoxy-6aH-benzo[4,5][1,3]oxazino[2,3-a]isoindole-5,11-dione 310.0710 15.83 [M-H]-1 4-Chlorobenzoic acid 310.9892 12.75 [M-H]-1 D-Sedoheptulose 7-phosphate 311.0142 16.30 [M-H+HAc]-1 gamma-Glutamyl-Se-methylselenocysteine 311.0146 16.24 [M-H]-1 3-ETHOXY-6-(1-METHYLTHIOMETHOXY-5-METHYL-4-HEXENYL)-2-CYCLOHEXEN-1-ONE 311.1680 1.79 [M-H]-1 Squalamine 312.7312 22.64 [M-H]-1 Cer(d20:1/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 312.7313 42.32 [M-H]-1 Cer(d20:1/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 312.7654 12.13 [M-H]-1 6phiC9SPC 313.1130 15.93 [M-H]-1 15-Ethyl-1,11-diazatetracyclo[13.3.1.0~4,12~.0~5,10~]nonadeca-5,7,9,11-tetraen-4-ol 1-oxide 313.1915 0.54 [M-H]-1 Glutaminylthreonine 314.0970 16.30 [M-H]-1 Phenacetyl-carnitine 314.1164 15.98 [M-H]-1 Deca-2,6-dienedioyl-CoA 314.7291 42.49 [M-H]-1 2,4-Dinitrobenzenesulfonic acid 314.9528 8.49 [M-H]-1 Dihydroxyphenylacetic acid sulfate 314.9784 43.25 [M-H]-1 2,7-Difluoro-4-methoxyspiro[fluorene-9,5'-imidazolidine]-2',4'-dione 315.0574 2.61 [M-H]-1 Febuxostat 315.0808 16.21 [M-H]-1 (9S_10S)-9_10-Dihydroxyoctadecanoate 315.2536 3.51 [M-H]-1 PGP(PGJ2/i-21:0) 315.8332 43.38 [M-H]-1 Actinorhodine 316.0591 19.00 [M-2H]-2 14-Formyldihydrorutaecarpine 316.1086 11.33 [M-H]-1 Diminazene 316.1087 11.27 [M+Cl]-1 PE(14:0/14:0) 316.7226 12.06 [M-H]-1 Inositol-P-ceramide 316.8897 1.31 [M-H]-1 (3-Nitrobenzoyl)alanine 316.9786 14.39 [M-H]-1 8-4-Aminobiphenyl-guanine 317.1156 2.50 [M-H]-1 1-Methylspermidine 317.3391 12.17 [M-H]-1 N-Gluconyl ethanolamine 318.0179 16.34 [M-H]-1 Guanosine 318.0611 12.46 [M+Cl]-1 ADPribose2'-phosphate 318.5111 18.84 [M-2H]-2 PC(24:0/TXB2) 318.8871 12.78 [M-H]-1 2-chloro-1,3,8-trihydroxy-6-(hydroxymethyl)anthracene-9,10-dione 319.0019 15.92 [M-H]-1 Microsphaerone C_120103 319.1676 2.46 [M-H]-1 dimethyl-hexadecanoic acid 319.2409 0.69 [M-H]-1 2-Chloro-3'-deoxyadenosine 320.0337 15.58 [M-H]-1 N-Acetyl-D-galactosamine 1-phosphate 320.0555 17.17 [M-H]-1 Threonylarginine 320.1576 16.32 [M-H]-1 Tris(2-chloroethyl) phosphate 320.9035 17.45 [M-H+HAc]-1 5-phosphonooxy-L-lysine 320.9872 16.49 [M-H]-1 Elenaic acid 320.9964 15.15 [M-H]-1 Trofosfamide 321.0086 3.68 [M-H]-1 Cyanidin 321.0179 12.78 [M-H]-1 Thymidine 5'-monophosphate 321.0439 1.77 [M-H]-1 1-(4-Methoxyphenyl)-3-phenylpropyl hydrogen sulfate 321.0798 16.08 [M-H]-1 Histidylvaline 321.1176 17.78 [M-H]-1 4-methyltetradecanoic acid 321.1415 16.39 [M-H]-1 10-(Phosphonooxy)decyl methacrylate 321.1472 2.58 [M-H]-1 CMP 322.0442 16.88 [M-H]-1 Epinephrine sulfate 322.0629 16.38 [M-H]-1 Tetradeca-2,4,6-trienoyl-CoA 322.7604 42.21 [M-H]-1 LacCer(d18:1/24:1) 322.9115 12.25 [M-H]-1 UMP 323.0283 16.00 [M-H]-1 Oxaluric acid 323.0468 16.31 [M-H]-1 nacubactam 323.0665 17.45 [M-H]-1 Skimmin 323.0758 17.47 [M-H]-1 Prazepam 323.0945 15.02 [M-H]-1 Quinoxalinedione + 2Methyl + C5H11O4 323.1265 2.67 [M-H]-1 p-Hydroxyubenimex 323.1624 2.54 [M-H]-1 FA 21:1 323.2951 2.60 [M-H]-1 TG(19:0/17:0/i-24:0) 323.9689 17.68 [M-H]-1 Hexyl 2,5-dichlorophenylphosphoroamidate 324.0320 16.83 [M-H]-1 Flumetsulam 324.0365 16.91 [M-H]-1 LSM-3627 324.0788 15.89 [M-H]-1 [4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-phenylmethanone 324.0824 19.53 [M-H]-1 TRIPHENYL PHOSPHATE 325.0654 17.48 [M-H]-1 2-(3-BENZOYLPHENYL)PROPIONIC ACID TRIMETHYLSILYL ESTER 325.1253 15.99 [M-H]-1 LPA 10:0 325.1424 2.78 [M-H]-1 4-Dodecylbenzenesulfonic acid 325.1790 2.55 [M-H]-1 4-Dodecan-6-ylbenzenesulfonic Acid 325.1845 5.25 [M-H]-1 FA 21:0 325.3108 2.62 [M-H]-1 Glucosamine 6-phosphate 326.0253 16.76 [M-H]-1 Tesofensine 326.1092 16.22 [M-H]-1 Cer(t18:0/PGF1alpha) 326.7596 42.54 [M-H]-1 Docosahexaenoicacid 327.2331 2.97 [M-H]-1 PGP(16:0/LTE4) 327.4854 12.34 [M-H]-1 N-Acetyl-S-(2-carbamoyl-2-hydroxyethyl)-L-cysteine 327.9735 16.54 [M-H]-1 Glutathione 328.0586 16.48 [M-H]-1 PIP(18:0/5-iso PGF2VI) 328.4840 12.36 [M-H]-1 2-Hydroxytrtradeca-4,6-dienoyl-CoA 328.7569 8.57 [M-H]-1 Carboxyifosfamide 328.9625 13.52 [M-H]-1 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 329.0852 9.55 [M-H]-1 4-({4-[(2,4,6-Trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile 329.1519 0.68 [M-H]-1 PIP2(18:2(9Z,12Z)/16:0) 330.4810 12.40 [M-H]-1 3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one 331.0131 16.38 [M-H]-1 PQQH2 331.0277 41.95 [M-H]-1 [Similar to: D-(-)-Glutamine; ΔMass: 185.9883 Da] 331.0499 15.82 [M-H]-1 N-octanoylglutamine 331.1870 2.46 [M-H]-1 Fenoxaprop 332.0336 16.04 [M-H]-1 Daidzein 4'-sulfate 333.0074 2.29 [M-H]-1 Chlorethylclonidine 333.0433 41.89 [M-H]-1 Fluorescin 333.0773 9.31 [M-H]-1 7,8-Dihydropteroic acid 333.1114 2.98 [M-H]-1 Adenophostin A 333.5167 18.25 [M-2H]-2 2-Chloroticlopidine 333.9572 8.74 [M-H]-1 isoxicam 334.0494 15.03 [M-H]-1 S-Formylglutathione 334.0705 18.25 [M-H]-1 N4-(Acetyl-beta-D-glucosaminyl)asparagine 334.1254 17.86 [M-H]-1 N-Acetylserotonin sulfate 335.0118 16.73 [M-H]-1 6-Thioxanthine 335.0121 15.96 [M-H+HAc]-1 (2S)-7-Chloro-4-hydroxy-2',6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-3,4'-dione 335.0332 13.16 [M-H]-1 3,7-Dihydroxy-2-(3-methoxyphenyl)-5-chromanesulfinic acid 335.0596 1.63 [M-H]-1 3-Aminopicolinic acid 335.1015 10.16 [M-H]-1 makaluvamine P 335.1632 2.67 [M-H]-1 Hexenoylcarnitine 336.0790 16.29 [M-H]-1 PS(14:1(9Z)/14:1(9Z)) 336.6912 12.01 [M-H]-1 2,3,4,5,6-Pentachlorobenzyl alcohol 336.8771 17.37 [M-2H+K]-1 (5Z)-5-({(1Z,2R)-3-Disulfanyl-1-hydroxy-1-[(2-hydroxy-2-iminoethyl)imino]-2-propanyl}imino)-5-hydroxy-L-norvaline 337.0630 16.49 [M-H]-1 Geranyl benzoate 337.0824 17.89 [M-H]-1 indole-3-acetyl-glutamine 337.0825 17.43 [M-H]-1 (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid 337.0914 17.79 [M-H]-1 p-Coumaroylquinicacid 337.0920 16.99 [M-H]-1 Pyridoxine 337.1420 2.62 [2M-H]-1 Tyrosyl-Proline 337.1422 2.64 [M-H]-1 a Jasmonoyl-glutamine 337.1785 2.63 [M-H]-1 Heneicosapentaenoic acid 337.2147 2.83 [M-H]-1 2,3-dihydroxy stearic acid 337.2358 1.11 [M-H]-1 3-methylhexadecanoic acid 337.2364 3.00 [M-H]-1 TG(20:3(5Z,8Z,11Z)/20:3n6/24:1(15Z)) 337.9497 12.21 [M-H]-1 4-Nitrophenyl beta-D-glucopyranoside 338.0286 8.40 [M-H]-1 N-Gluconyl ethanolamine phosphate 338.0662 18.01 [2M-H]-1 Indoleacetyl glutamine 338.0941 16.27 [M-H]-1 Oleoyl glycine 338.2691 12.06 [M-H]-1 Glucose 6-sulfate 338.9373 15.59 [M-H]-1 Fructose 1,6-bisphosphate 338.9916 13.51 [M-H]-1 LPA 11:0 339.1582 2.85 [M-H]-1 Tetracosapentenoic acid 339.2669 11.99 [M-H]-1 Docosanoic acid 339.3265 2.82 [M-H]-1 Docosanoicacid 339.3266 2.99 [M-H]-1 Boscalid 341.0251 17.76 [M-H]-1 Phosphomevalonic acid 341.0252 16.86 [M-H+HAc]-1 5-[[5-[[5-(Pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methylidene]pyrrole-2-carboxylic acid 341.1056 1.66 [M-H]-1 α,α-Trehalose 341.1087 16.07 [M-H]-1 LPC O-6:0 341.1973 42.99 [M-H]-1 (+)-Aspidospermidine 341.2230 0.58 [M-H]-1 PIP(22:2(13Z,16Z)/18:1(12Z)-2OH(9,10)) 341.8438 11.72 [M-H]-1 N-Acetylsphinganine 342.3008 2.50 [M-H]-1 Uridine 2',3'-cyclic phosphate 342.9692 16.49 [M-H]-1 Lumogallion 342.9783 16.44 [M-H]-1 Dimethylthiophosphate 342.9821 15.92 [M-H]-1 Maltitol 343.1236 16.37 [M-H]-1 palatinitol 343.1248 15.80 [M-H]-1 PIP(22:2(13Z,16Z)/20:4(5Z,7E,11Z,14Z)-OH(9)) 343.8408 12.18 [M-H]-1 CDP-DG(18:1(12Z)-2OH(9,10)/18:1(11Z)) 344.8389 12.10 [M-H]-1 2-chloro-trans-dienelactone 344.9218 23.12 [M-H]-1 C14EOx 345.3005 2.41 [M-H]-1 3-oxobrimonidine 345.9721 13.53 [M-H]-1 2,8-bis-Trifluoromethyl-4-quinoline carboxylic acid 345.9723 13.33 [M-H]-1 CDP-DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)-OH(18R)) 346.8360 12.22 [M-H]-1 IMP 347.0396 16.11 [M-H]-1 Dibutyl sulfosuccinate 347.0578 16.90 [M-H]-1 [Similar to: 6-Thioinosine-phosphate; ΔMass: -14.9804 Da] 348.0365 16.25 [M-H]-1 [Similar to: 6-Thioinosine-phosphate; ΔMass: -14.9794 Da] 348.0375 16.90 [M-H]-1 2-(4-((5-Chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propanoic acid 2-propyn-1-yl ester 348.0433 16.91 [M-H]-1 (S)-Hydroxyoctadecanoyl-CoA 348.4144 12.23 [M-H]-1 6-Hydroxydaidzein 348.9662 12.74 [M-H]-1 Bis(2-methyl-3-furyl)tetrasulfide 348.9700 16.66 [M-H+HAc]-1 Genistein 7-sulfate 349.0027 1.67 [M-H]-1 Sulofenur 349.0433 16.03 [M-H]-1 (-)-trans-Carveol glucoside 349.1427 2.59 [M-H]-1 N-[4-Chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylthiophene-3-carbothioamide 350.0443 16.01 [M-H]-1 2-Diethylaminoethanol 350.4115 12.24 [M-H]-1 4-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-2-hydroxy-2-pentenedioate 351.0346 2.66 [M-H]-1 beta-nicotinate D-ribonucleotide 352.0273 15.00 [M-H]-1 1,2,3,4,6-Pentachlorodibenzo-p-dioxin 352.8491 23.02 [M-H]-1 CDP-DG(18:3(9,11,15)-OH(13)/i-21:0) 352.8557 23.61 [M-H]-1 3-Hydroxyphenylacetylglutamine sulfate 353.0068 42.02 [M-H]-1 {3,5-Dichloro-4-[4-Hydroxy-3-(Propan-2-Yl)phenoxy]phenyl}acetic Acid 353.0338 1.69 [M-H]-1 Nicotinamide ribotide 353.0553 17.58 [M-H]-1 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol 353.2096 2.53 [M-H]-1 Succinylsulfathiazole 354.0216 14.81 [M-H]-1 Sulforaphane-cysteine-glycine 354.0609 17.80 [2M-H]-1 PI(22:5(7Z,10Z,13Z,16Z,19Z)/LTE4) 354.8513 23.39 [M-H]-1 D-ribulose-1,5-bisphosphate 354.9855 12.41 [M-H]-1 Thiamine hydrochloride 355.0558 17.53 [M-H]-1 TRIMETHYLSILYL OCTADECANOATE 355.3039 12.10 [M-H]-1 Metanephrine sulfate 355.9841 4.61 [M-H]-1 S-sulfanylglutathione 356.0010 13.62 [M-H]-1 S-Methyl-5'-thioadenosine 356.1030 3.05 [M-H+HAc]-1 PHENYLISOCYANATE-CYCLICTRIMER 356.1031 3.04 [M-H]-1 Cer 19:0;2O/2:0 356.3166 2.35 [M-H]-1 N(omega)-(ADP-D-ribosyl)-L-arginine 356.5785 19.51 [M-2H]-2 N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid 356.9826 12.36 [M-H]-1 O-Coumaric acid sulfate 356.9896 17.39 [M-H]-1 Phosphocysteamine 357.9810 12.40 [M-H]-1 MMV688270 358.1548 9.43 [M-H]-1 CDP-DG(a-21:0/i-20:0) 358.8790 12.25 [M-H]-1 Tyrosyl-Valine 359.0636 17.80 [M-H]-1 D-Ribulose 359.1189 13.91 [M-H]-1 Octadeca-2,4-dienoic acid 359.1581 19.56 [M-H]-1 (4-Hydroxy-3-iodo-5-nitrophenyl)acetic acid 359.8776 12.15 [M-H]-1 Dimethyl tetrasulfide 360.8761 11.96 [M-H]-1 PI(LTE4/22:3(10Z,13Z,16Z)) 360.8763 12.22 [M-H]-1 indole-3-acetyl-glutamate 361.1047 7.19 [M-H]-1 S-(1,2,2-trichlorovinyl)-L-cysteine 361.8745 12.16 [M-H]-1 Dimethyldithiocarbamic acid 361.9959 16.28 [M-H]-1 Guanosine monophosphate (GMP) 362.0506 17.03 [2M-H]-1 Etofibrate 362.0808 13.83 [M-H]-1 Cerebroside B 362.7728 12.05 [M-H]-1 PE(P-18:1(9Z)/18:1(9Z)) 362.7731 11.73 [M-H]-1 5-Fluorodeoxyuridine monophosphate 362.9817 15.14 [M-H]-1 Biochanin a 7-sulfate 363.0182 1.69 [M-H]-1 Difluoromethyl (2R)-2,5-diaminopentanoate 363.1657 2.64 [M-H]-1 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 363.1658 2.46 [M-H]-1 3-{[(3-Amino-3-oxo-2-phenylpropoxy)(hydroxy)phosphoryl]oxy}benzoic acid 364.0599 15.58 [M-H]-1 PIP(22:3(10Z,13Z,16Z)/TXB2) 364.4515 12.10 [M-H]-1 Selenohomocysteine 364.9603 16.25 [M-H]-1 6-Hydroxy-3-[(1Z)-3-(3-hydroxyphenyl)-3-oxo-1-propen-1-yl]-2-methoxyphenyl hydrogen sulfate 365.0326 3.71 [M-H]-1 4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-sulphate 365.0561 2.13 [M-H]-1 2-Hydroxyestrone sulfate 365.1056 16.43 [M-H]-1 S-Adenosyl-L-homocysteine 365.1058 16.32 [M-H-H2O]-1 7-(3-Chloro-2-hydroxy-3-methylbutoxy)-8-(3-methyl-2-oxobutyl)-2H-chromen-2-one 365.1166 15.01 [M-H]-1 Drospirenone 365.2103 2.71 [M-H]-1 10,20-Dihydroxyeicosanoic acid 365.2675 0.28 [M-H]-1 Cefaclor 366.0313 6.82 [M-H]-1 PIP3(18:1(9Z)/18:1(11Z)) 366.4486 12.05 [M-H]-1 LPA 13:0 367.1896 2.62 [M-H]-1 Adrenic acid 367.2435 0.59 [M-H]-1 (5E)-7-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]hept-5-enoyl-CoA 367.4472 12.28 [M-H]-1 PC(18:3(9Z,12Z,15Z)/P-16:0) 368.7643 12.08 [M-H]-1 Sedoheptulose 7-phosphate 368.9480 12.74 [M-H]-1 3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione 369.0216 16.07 [M-H]-1 Inosine 2'-phosphate 369.0222 17.14 [M-H]-1 Nestorone 369.2047 2.63 [M-H]-1 Cholest-5-ene 369.3435 12.09 [M-H]-1 2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid 370.0166 13.60 [M-H]-1 Cephalosporanic acid 370.0184 15.93 [M-H]-1 Tamoxifen 370.2163 10.94 [M-H]-1 Cer 20:0;2O/2:0 370.3320 2.39 [M-H]-1 Arachidonoylcholine 370.3424 12.13 [M-H]-1 Nicotinate adenine dinucleotide phosphate 371.0203 13.69 [M-H]-1 NADP 371.0203 13.95 [M-H]-1 3-Methyluridine 371.0718 15.97 [M-H]-1 4,6-Tricosanedione 371.3406 12.18 [M-H]-1 N-Heptanoylsolamine 372.3394 12.08 [M-H]-1 Triclabendazole sulfoxide 372.9369 14.43 [M-H]-1 Deoxyloganin 373.1500 3.59 [M-H]-1 C16EOx 373.3320 2.36 [M-H]-1 N1-Acetylspermidine 373.3380 12.11 [M-H]-1 p-Iodoclonidine 373.9178 11.66 [M-H]-1 CDP-DG(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/i-21:0) 374.8482 12.87 [M-H]-1 4-amino-2-methyl-5-diphosphomethylpyrimidine 374.9163 12.22 [M-H]-1 Estradiol valerate 375.2350 12.00 [M-H]-1 FR167356 376.0497 16.38 [M-H]-1 ronifibrate 376.0966 13.06 [M-H]-1 Trihexosylceramide(d18:1/24:1) 376.9128 12.22 [M-H]-1 3,4 Dihydrocinnamic acid sulfate 376.9131 11.67 [M-H]-1 3-Methyl-2-buten-1-yl hydrogen sulfate 377.0558 16.14 [2M+FA-H]-1 Justicidin G 377.0681 15.06 [M-H]-1 2,2-Dichloro-12-(4-chlorophenyl)dodecanoic acid 377.0859 16.03 [M-H]-1 D-4'-Phosphopantothenate 377.9931 15.63 [M-H]-1 (R)-S-Lactoylglutathione 378.0978 16.38 [M-H]-1 (2E,4E)-3,8,8-Trichloro-7-(4-chlorophenyl)-2-hydroxy-6-oxo-2,4,7-octatrienoic acid 378.9104 11.86 [M-H]-1 Hydroquinone sulfate 378.9807 17.91 [M-H]-1 LPA 14:1 379.1894 2.50 [M-H]-1 indole-3-acetyl-phenylalanine 380.1382 10.28 [M-H]-1 (S)-NADPHX 380.5431 18.76 [M-2H]-2 12-Methylpentacosanoyl-CoA 380.8068 12.13 [M-H]-1 1,3-DI(BROMOMETYL)-2,5-DIMETHOXYBENZENE 380.9340 16.51 [M-H+HAc]-1 PA 13:0 381.1687 2.82 [M-H]-1 LPA 14:0 381.2051 2.73 [M-H]-1 PIP(22:5(7Z,10Z,13Z,16Z,19Z)/LTE4) 381.4870 12.27 [M-H]-1 CDP-DG(LTE4/i-17:0) 382.4852 5.02 [M-H]-1 CDP-DG(i-17:0/LTE4) 382.4856 12.38 [M-H]-1 CoA 382.5496 16.70 [M-2H]-2 Ethynodiol Diacetate 383.2211 2.64 [M-H]-1 PIP(22:2(13Z,16Z)/LTE4) 383.4841 12.34 [M-H]-1 2,5-Dioxopyrrolidin-1-YL 4-(pyren-1-YL)butanoate 384.1247 15.06 [M-H]-1 Bifeprunox 384.1715 10.03 [M-H]-1 Cer 21:0;2O/2:0 384.3476 2.33 [M-H]-1 MG 20:0 385.3317 2.29 [M-H]-1 1-Hexacosene 385.3803 12.24 [M-H]-1 PE(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) 385.6994 12.16 [M-H]-1 dCDP 386.0171 16.40 [M-H]-1 Sphingosine 1-phosphate (d16:1-P) 386.1871 9.98 [M+Cl]-1 25-Azacholestero 386.3790 12.18 [M-H]-1 4-Amino-2-chlorobenzoic acid 387.0145 6.97 [M-H]-1 5-amino-6-(5-phospho-D-ribosylamino)uracil 387.0145 3.65 [M-H]-1 5-Fluorouridine monophosphate 387.0262 13.10 [M-H]-1 Isopentacosane 387.3779 12.09 [M-H]-1 PS(14:0/5-iso PGF2VI) 387.6965 12.12 [M-H]-1 3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one 388.0295 13.25 [M-H]-1 Trioctylamine 388.3763 12.18 [M-H]-1 Dopaxanthin 389.1006 2.12 [M-H]-1 [Similar to: D-(-)-Glutamine; ΔMass: 638.0863 Da] 391.0705 15.81 [M-2H]-2 [Similar to: D-(-)-Glutamine; ΔMass: 246.0089 Da] 391.0708 15.81 [M-H]-1 CAR 16:4 391.2715 11.94 [M-H]-1 N-Myristoyl Lysine 391.2717 12.15 [M-H]-1 FAD 391.5712 16.09 [M-2H]-2 undecylprodigiosin 392.2704 12.09 [M-H]-1 Isorhamnetin 3-sulfate 392.9919 13.12 [M-H]-1 PA(18:1(12Z)-2OH(9,10)/22:1(13Z)) 393.2689 11.90 [M-H]-1 estrone 3-sulfate 395.1161 15.90 [M-H]-1 2-ACETOXY-4-BENZOYL-2,6-DIPHENYL-2H-PYRAN 395.1285 1.75 [M-H]-1 4-Hydroxybenzophenone 395.1291 1.76 [2M-H]-1 PA 14:0 395.1842 2.75 [M-H]-1 Dicloralurea 396.8438 12.18 [M-H]-1 Isodityrosine 397.0801 11.13 [M-H]-1 Ptaquiloside 397.1861 2.63 [M-H]-1 Alanycarb 398.1199 15.62 [M-H]-1 Difloxacin 398.1305 19.09 [M-H]-1 Cer 22:0;2O/2:0 398.3635 2.45 [M-H]-1 PS(18:2(9Z,12Z)/18:1(9Z)-O(12,13)) 398.7366 12.97 [M-H]-1 2',7'-Dichlorofluorescein 398.9813 14.21 [M-H]-1 Zuclopenthixol 399.1316 9.87 [M-H]-1 1_2-Didecanoylglycerol 399.3110 2.35 [M-H]-1 MG 21:0 399.3470 2.34 [M-H]-1 Bemetizide 400.0208 16.22 [M-H]-1 Constictic acid 401.0509 17.39 [M-H]-1 [Similar to: N-Acetyl-1-aspartylglutamic acid; ΔMass: 97.9764 Da] 401.0598 17.15 [M-H]-1 Farnesyl pyrophosphate 401.1294 16.32 [M-H]-1 Setipiprant 401.1302 15.92 [M-H]-1 Di-tert-dodecyl disulfide 401.3265 2.40 [M-H]-1 2-S-glutathionyl acetate 402.0368 15.57 [M-H]-1 PS(14:0/PGF1alpha) 402.7350 12.11 [M-H]-1 UDP 402.9944 18.66 [M-H]-1 Sedoheptulose 1-phosphate 403.0212 12.87 [M-H]-1 Oxadiazone 403.0827 13.85 [M-H+HAc]-1 VX-702 403.0827 13.43 [M-H]-1 Diphenylsulfoxide 403.0829 13.83 [2M-H]-1 Tribenzoin 403.1207 17.41 [M-H]-1 Acetyl-CoA 403.5550 16.29 [M-2H]-2 S-Trichlorovinyl-N-acetylcysteine 403.9310 14.12 [M-H]-1 N-Glycolylneuraminic acid 404.0144 16.73 [M-H]-1 3-Indole carboxylic acid glucuronide 404.0534 16.29 [M-H]-1 3-O-alpha-D-Glucopyranuronosyl-D-xylose 404.9986 16.68 [M-H]-1 (2R,3S)-2-methylisocitrate 405.0312 16.88 [M-H+HAc]-1 Rotenonone 405.0976 15.01 [M-H]-1 3alpha_12alpha-Dihydroxy-7-oxo-5beta-cholanate 405.2650 2.97 [M-H]-1 PS(18:1(12Z)-2OH(9,10)/18:4(6Z,9Z,12Z,15Z)) 405.6588 44.74 [M-H]-1 Miltefosine 406.3099 12.09 [M-H]-1 β-Muricholic acid 407.2806 3.00 [M-H]-1 Palmitoylcholine 408.3073 12.12 [M-H]-1 4-hydroxybenzoate 410.0611 16.09 [M-H+HAc]-1 Sulfo-ciprofloxacin 410.0812 12.86 [M-H]-1 Ganglioside GM3 (d18:1/22:1(13Z)) 410.6232 12.13 [M-H]-1 dIMP 410.9657 13.52 [M-H]-1 Zileuton O-glucuronide 411.0873 1.61 [M-H]-1 NCGC00385419-01_C19H24O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy-, methyl ester 411.1288 16.97 [M-H]-1 7-Oxoprostaglandin I2 411.2020 2.60 [M-H]-1 N-Stearoyl Glutamine 411.3166 11.52 [M-H]-1 omega-COOH-tetranor-LTE3 411.9827 12.42 [M-H]-1 Sebacoyl-L-carnitine 412.2006 12.12 [M-H]-1 Cer 23:0;2O/2:0 412.3791 2.32 [M-H]-1 CL(14:0/14:0/14:0/i-14:0) 412.6209 12.06 [M-H]-1 Rangbatti 413.0531 15.81 [M-H]-1 MMV020623 413.1999 12.05 [M-H]-1 undec-9-enoic acid 413.2907 2.47 [M-H]-1 DG 10:0_11:0 413.3265 2.40 [M-H]-1 S-Pyruvylglutathione 414.0365 16.02 [M-H]-1 D-erythro-Sphingosine1-phosphate 414.2187 9.74 [M+Cl]-1 Pro-Lys-Ile 415.2553 19.59 [M-H]-1 S-Lactoylglutathione 416.0528 15.38 [M-H]-1 PS(18:3(9Z,12Z,15Z)/PGJ2) 416.7036 44.75 [M-H]-1 Thymidine 3',5'-cyclic monophosphate 417.0362 13.23 [M-H]-1 8-oxodecanoic acid 417.2491 2.57 [M-H]-1 1-Stearoylglycerol 417.3216 2.54 [M-H]-1 PC(PGJ2/18:1(9Z)) 417.7732 12.07 [M-H]-1 5-Taurinomethyl-2-thiouridine 418.0404 14.13 [M-H]-1 Cligosiban 418.1097 18.25 [M-H]-1 N-Acetyl-D-lactosamine 418.1102 18.89 [2M-H]-1 Urolithin C 3-glucuronide 419.0634 8.43 [M-H]-1 Nonacosanoic acid 419.4512 11.82 [M-H]-1 cyclosulfamuron 420.0969 16.18 [M-H]-1 Pentacosanoylglycine 420.4498 12.36 [M-H]-1 5'-Iododeoxyuridine 420.9402 1.60 [M-H]-1 S-(1,2-Dicarboxyethyl)glutathione 422.0876 18.97 [M-H]-1 7-Hydroxyethyl biscoumacetate 423.0741 2.28 [M-H]-1 Kynurenic acid 423.0854 3.60 [M-H]-1 PA 16:0 423.2158 2.62 [M-H]-1 2-Hydroxy-6-oxo-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triyl triacetate 425.0535 2.43 [M-H]-1 1,3,5-BENZENETRICARBOXYLIC ACID TRI(TRIMETHYLSILYL) ESTER 425.1277 15.74 [M-H]-1 ADP 426.0218 42.07 [M-H]-1 Cephaloglycin 426.0762 14.11 [M-H+HAc]-1 8-Nitro-cGMP 426.9877 12.37 [M-H]-1 Caudatoside 427.1978 3.18 [M-H]-1 DG 11:0_11:0 427.3422 2.34 [M-H]-1 2-(Methylthio)ethyl glucosinolate 427.9753 13.23 [M-H]-1 S-(2-Chloroacetyl)glutathione 428.0583 16.01 [M-H]-1 N-Arachidonoylglycine 428.2381 12.08 [M-H]-1 Hexadecanedioic acid mono-L-carnitine ester 428.3011 3.09 [M-H]-1 Phosphoserine 429.0303 16.02 [M-H]-1 Nivacortol 429.2364 11.92 [M-H]-1 LPE O-16:4 430.2349 12.08 [M-H]-1 Perfluoroheptanesulfonic acid 430.9147 12.23 [M-H]-1 5-Chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine 431.0362 18.04 [M-H]-1 N(3)-(4-Methoxyfumaroyl)-2,3-diaminopropionic acid 431.1408 16.00 [2M-H]-1 MMV022478 431.1410 16.10 [M-H]-1 PE(20:3(6,8,11)-OH(5)/24:1(15Z)) 432.8067 12.52 [M-H]-1 6-(D-alpha-(3-Guanylureido)phenylacetamido)penicillanic acid 433.1306 12.01 [M-H]-1 R-4'-phosphopantothenoyl-L-cysteine 434.0301 14.73 [M-H]-1 Spermidine 434.4901 12.39 [M-H]-1 tigemonam 436.0246 14.82 [M-H]-1 TG(14:0/O-18:0/22:1(13Z)) 436.4873 12.35 [M-H]-1 riboflavin cyclic 4',5'-phosphate 437.0870 16.22 [M-H]-1 CDP 438.0040 13.63 [M-H]-1 TRIBOA-beta glucoside 438.0041 13.43 [M-H]-1 TG(16:0/20:3n6/18:1(9Z)) 440.3802 12.25 [M-H]-1 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/PGJ2) 441.6985 12.04 [M-H]-1 (4-{2-[(4-Carbamimidoyl-benzoyl)-methyl-amino]-acetyl}-2-carboxymethoxy-phenoxy)-acetic acid 442.1266 10.93 [M-H]-1 6-[1-(3,5,5,8,8-Pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-2-carboxylic acid 442.1394 6.69 [M-H]-1 PS(PGJ2/22:5(7Z,10Z,13Z,16Z,19Z)) 442.6970 12.07 [M-H]-1 [(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 443.1397 20.10 [M-2H]-2 6-(ISOBUTYLDIMETHYLSILYL)-2-(PENTAMETHYLDISILANYL)-5-(TRIMETHYLSILYL)NAPHTHALENE 443.2467 2.30 [M-H]-1 3-(O-Geranylgeranyl)-sn-glycerol 1-phosphate 443.2573 8.10 [M-H]-1 LDGTS 14:1 443.3237 11.44 [M-H]-1 2-(TRIMETHYLSILYL)OXY-OCTADECANOIC ACID TRIMETHYLSILYL ESTER 443.3369 2.40 [M-H]-1 octa-2,4-dienoyl-CoA 443.5952 12.05 [M-H]-1 Adenylsuccinic acid 444.0589 14.96 [M-H]-1 6-Aminocoumarinhydrochloride 444.9848 13.94 [M-H]-1 Tioclomarol 445.0072 17.38 [M-H]-1 D-Erythrose 4-phosphate 445.0158 17.60 [M-H]-1 CDP-ethanolamine 445.0528 17.61 [M-H]-1 3-oxoundecanoic acid 445.2803 2.63 [M-H]-1 N-Acetyl-6-O-L-fucosyl-D-glucosamine 446.0629 15.80 [M-H]-1 dIDP 446.9939 1.91 [M-H]-1 (1R,2R)-4,6-Dichloro-3-methyl-3,5-cyclohexadiene-1,2-diol 446.9939 1.88 [2M-H+HAc]-1 2-Amino-3-nitrososulfanylpropanoic acid 449.0298 15.73 [M-H]-1 methyl (Z)-6-(3,7-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-6-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)hex-5-enoate 449.1728 3.87 [M-H]-1 PS(24:1(15Z)/20:0) 449.8471 12.13 [M-H]-1 PC(24:0/20:0) 449.8686 15.91 [M-H]-1 indole-3-acetyl-tyrosine 450.1082 15.86 [M-H]-1 4-Hydroxypropranolol glucuronide 450.1765 2.66 [M-H]-1 3-(3,5-Diiodo-4-hydroxyphenyl)pyruvate 450.8451 12.24 [M-H]-1 3-butenylglucosinolate 450.9511 12.81 [M-H]-1 Chlorocitric acid 450.9511 12.48 [M-H]-1 Dihydroisoferulic acid 3-glucuronide 451.0242 16.11 [M-H]-1 3-{[5-Deoxy-5-(dimethylarsoryl)pentofuranosyl]oxy}-2-hydroxypropyl hydrogen sulfite 451.0244 15.99 [M-H+HAc]-1 5-[6-Hydroxy-2-(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-3-benzofuranyl]-1,3-benzenediol 451.1178 1.62 [M-H]-1 1,3-DI(3,4-DIMETHOXYPHENYL)BENZO(F)QUINAZOLINE 451.1642 12.08 [M-H]-1 3,5-Diiodo-L-tyrosine 451.8440 12.18 [M-H]-1 [2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl- 452.0196 13.48 [M-H]-1 3-hydroxyguanfacine glucuronide 452.0273 16.26 [M-H]-1 PE-NMe2(22:4(7Z,10Z,13Z,16Z)/24:0) 452.8428 12.08 [M-H]-1 Cefazolin 453.0230 13.67 [M-H]-1 N-Formyl-Nle-Leu-Phe 454.2128 10.32 [M+Cl]-1 Fumagillin 457.2223 2.39 [M-H]-1 4-Methylumbelliferyl-6-sulfo-2-acetamido-2-deoxy-beta-glucopyranoside 458.0742 15.04 [M-H]-1 Mivebresib 458.0997 13.05 [M-H]-1 S-Nitroso-L-cysteinylglycine 459.0579 16.04 [M-H]-1 4-Fumarylacetoacetic acid 459.0779 15.05 [M-H]-1 Prednisolone hemisuccinate 459.2012 3.25 [M-H]-1 Eplerenone 459.2015 2.61 [M+FA-H]-1 3-cis-Hydroxyglipizide 460.1673 16.06 [M-H]-1 SL 14:1;O/10:0 460.3114 12.10 [M-H]-1 Cysteine-S-sulfate 460.9587 14.35 [M-H]-1 2-Phosphonopropionic acid 460.9917 12.35 [M-H]-1 Riboflavin reduced 461.0956 16.37 [M-H]-1 gamma-Aminobutyryllysine 461.3096 12.10 [M-H]-1 Guanosine diphosphate 462.0152 16.09 [M-2H]-2 HexCer 15:0;2O/2:0 462.3088 11.97 [M-H]-1 Alanine conjugated chenodeoxycholic acid 462.3227 11.22 [M-H]-1 IDP 462.9885 12.36 [M-H]-1 Columbamide A 464.2331 9.60 [M-H]-1 2',3'-Dideoxythymidine triphosphate 464.9858 12.38 [M-H]-1 Loteprednol etabonate 465.1687 10.97 [M-H]-1 Tryptophanamide 465.2212 17.53 [M-H]-1 Cholesterol sulfate 465.3044 1.76 [M-H]-1 Propyliodone 465.8833 11.99 [M-H]-1 Aglepristone 466.2497 9.54 [M+Cl]-1 Tobramycin 466.2499 9.49 [M-H]-1 tartrazine acid 466.9978 16.54 [M-H]-1 PC(LTE4/18:3(6Z,9Z,12Z)) 468.2652 9.48 [M-H]-1 Thiamine pyrophosphate 469.0288 0.74 [M-H]-1 Dideoxycytidine 5'-Triphosphate 469.9837 0.15 [M-H]-1 HexCer 16:3;2O/2:0 470.2762 2.95 [M-H]-1 deoxylimonate 471.2017 2.42 [M-H]-1 Palmitone 471.4566 12.26 [M-H]-1 PS(24:0/PGD1) 471.7750 12.11 [M-H]-1 Longamide 472.4546 12.20 [M-H]-1 PG(i-19:0/LTE4) 472.7733 12.08 [M-H]-1 (2R,3R)-2,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]butanedioic acid 473.0733 15.80 [M-H]-1 Methylprednisolone hemisuccinate 473.2173 3.26 [M-H]-1 LPG 15:0-d4 473.2816 2.15 [M-H]-1 PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/DiMe(13,5)) 473.7718 12.00 [M-H]-1 Isorhamnetin 3, 4'-bisulfate 474.9624 16.40 [M-H]-1 2-Amino-5,6-dichloro-3,4,-dihydroquinazoline 474.9953 12.99 [M-H]-1 FA 32:2 475.4508 12.09 [M-H]-1 (2S,3R)-2-(4-{2-[(3S,4S)-3,4-Dimethylpyrrolidin-1-YL]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-OL 476.1920 2.80 [M-H]-1 Chebulinic acid 477.0489 18.26 [M-2H]-2 9-Carboxymethoxymethylguanine 477.1190 15.86 [M-H]-1 ST 28:2;O;S 477.3042 1.76 [M-H]-1 3-Hydroxydodecanoic acid 477.3465 12.20 [M-H]-1 (Methylsulfinyl)heptyl glucosinolate 478.0900 16.27 [M-H]-1 Undeca-2,5,8-trienedioyl-CoA 478.5637 11.88 [M-H]-1 PS(24:0/24:0) 478.8989 1.39 [M-H]-1 Blestriarene B 479.1481 2.95 [M-H]-1 Cycloprothrin 480.0767 16.48 [M-H]-1 Talampicillin 480.1227 15.65 [M-H]-1 Methylcysteine sulfoxide 480.1827 18.76 [M-H]-1 Palmitoyl Ara-C 480.3088 3.20 [M-H]-1 Undec-3-enedioyl-CoA 480.5617 12.07 [M-H]-1 Thymidine 5'-triphosphate 480.9845 14.22 [M-H]-1 1,4,8,9,10,11,12,13-Octahydroxy-3-(hydroxymethyl)-3,4,4a,16a-tetrahydro-1H-dibenzo[f,h]pyrano[3,4-b][1,4]dioxecine-6,15-dione 481.0612 16.81 [M-H]-1 flavanthrin 481.1634 2.95 [M-H]-1 Hexyl glucosinolate 482.0235 16.26 [M-H]-1 Uridine 5'-diphosphate 482.9191 12.07 [M-H]-1 Ribavirin 5'-triphosphate 482.9800 14.39 [M-H]-1 Cyanidin 3-O-arabinoside 483.0651 1.90 [M-H]-1 1-O,6-O-Digalloyl-β-D-glucose 483.0768 16.27 [M-H]-1 Etiprednol dicloacetate 483.1324 16.12 [M-H]-1 MMV007471 483.1333 15.92 [M-H+HAc]-1 BioMed 101 483.2379 11.97 [M-H]-1 phosphoadenosine-5'-phosphosulfate 483.9179 12.21 [M-H]-1 L-Aspartyl-4-phosphate 485.0234 13.32 [M-H]-1 6-methylthiohexylglucosinolate 485.0241 12.90 [M-H]-1 Maculin 485.1011 16.80 [2M-H]-1 Cysteine-glutathione disulfide 485.1012 16.87 [M-H]-1 5-(1,2,3,4,5,6-hexahydroxyhexoxy)-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-3H-pyrano[3,4-h][1]benzoxepine-2,7-dione 485.1285 17.70 [M-H]-1 8-((4-Chlorophenyl)thio)cyclic-3',5'-GMP 486.0063 14.58 [M-H]-1 N-Acetyl-D-glucosamine 487.1781 16.01 [M-H]-1 LPI 10:0 487.1961 2.89 [M-H]-1 Estriol succinate 487.1963 2.62 [M-H]-1 erythro-6,8-Hentriacontanediol 487.4938 12.38 [M-H]-1 3-Methyltridecanoyl-CoA 487.6638 11.94 [M-H]-1 DrugBank-DB02689-CoA; (Acyl-CoA); [M+H]+; 488.5625 17.99 [M-2H]-2 PS(DiMe(13,5)/DiMe(13,5)) 488.8102 12.07 [M-H]-1 6-Mercaptopurine ribonucleoside 5'-diphosphate 488.9794 16.51 [M-H]-1 Hydroxyprolyl-Asparagine 489.1938 15.79 [M-H]-1 deoxylimononicacidD-ring-lactone 489.2118 3.39 [M-H]-1 Tetratriacontanoic acid 489.4892 4.72 [M-H]-1 N-Acetylglucosaminyl-diphosphodolichol 489.6574 19.46 [M-2H]-2 Demethylalangiside 490.1715 2.88 [M-H]-1 Cer(d16:1/16:0) 490.4877 4.97 [M-H]-1 10,12-Tritriacontanedione 491.4873 12.25 [M-H]-1 CDP-DG(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/i-12:0) 491.7053 12.07 [M-H]-1 Tetracosanoylglycine 492.3847 12.28 [M-2H]-2 3,3-Dichloro-4-(dichloromethylene)-2,5-pyrrolidinedione 492.7620 12.55 [M-H]-1 Ganglioside GM2 (d18:1/25:0) 492.9684 13.49 [M-H]-1 1-(5-Methyl-3-pyridinyl)-1-decanone 493.3836 12.16 [M-H]-1 CDP-DG(PGJ2/i-13:0) 493.7024 12.22 [M-H]-1 N-(4-(2,5-Dihydro-5-oxo-3-furanyl)phenyl)-4-(beta-D-glucopyranosyloxy)benzamide 494.0924 16.20 [M-H]-1 Mibefradil 494.2809 9.41 [M-H]-1 N-Nervonoyl Glutamic acid 494.3820 11.97 [M-H]-1 2-Phe-8-orn-oxytocin 494.7009 11.87 [M-H]-1 Trigallic acid 495.0188 16.40 [M-H]-1 {4-Hydroxy-5-oxo-3-[(3,4,5-trihydroxybenzoyl)oxy]tetrahydro-2-furanyl}[(3,4,5-trihydroxybenzoyl)oxy]acetic acid (non-preferred name) 495.0424 16.86 [M-H]-1 NAOrn 13:1/10:0 495.3803 12.10 [M-H]-1 CDP-DG(PGD2/i-12:0) 495.6993 12.02 [M-H]-1 7-Aflatoxin B1-fapyguanine 496.1095 16.32 [M-H]-1 Cer 16:3;2O/16:4 496.3790 12.21 [M-H]-1 Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 497.0921 2.27 [M-H]-1 Oxytetracycline 497.0937 16.46 [M-H]-1 NCGC00385789-01_C26H42O9_5,6,16-Trihydroxygrayanotox-10-en-3-yl hexopyranoside 497.2772 11.95 [M-H]-1 Rebimastat 498.2759 11.83 [M-H]-1 Taurochenodeoxycholicacid 498.2893 2.94 [M-H]-1 2,4-Dichlorophenoxyacetic acid 498.9559 12.32 [M-H]-1 Imidazole acetol-phosphate 499.0585 14.99 [M-H]-1 6-methoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one 499.1434 17.87 [M-H]-1 Isopentyl beta-D-glucoside 499.2741 11.96 [M-H]-1 7-(3-methyl-5-propylfuran-2-yl)heptanoyl-CoA 499.6357 12.61 [M-H]-1 Cyclopentenylcytosine 6-triphosphate 499.9545 12.21 [M-H]-1 N-Acetyltaurine 500.0725 16.72 [M-H]-1 Mevalonic acid-5P 501.0743 16.46 [M-H]-1 N-Acetylneuraminic acid 9-phosphate 502.0584 16.44 [M-H]-1 Acetyl adenylate 502.0588 16.79 [M-H]-1 Methyl 1-propene-1-sulfenoselenoate 502.8498 12.14 [M-H]-1 2,6-Diiodo-4-nitrophenol 503.8486 12.15 [M-H]-1 Bis(2,4,6-trichlorophenyl) oxalate 504.8469 12.16 [M-H]-1 (4S,18S)-4,7-Dimethyl-18-[2-(methylsulfanyl)ethyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione 505.0784 14.97 [M-H]-1 2,4,5-Trichlorophenoxyacetic acid 506.8439 11.95 [M-H]-1 LPG 18:2 507.2729 2.95 [M-H]-1 DG 14:0_14:1 509.4203 11.86 [M-H]-1 2',3'-Dideoxyadenosine-5-triphosphate 509.9779 13.41 [M-H]-1 p-Nitrophenyl thymidine 5'-monophosphate 510.0611 15.96 [M-H]-1 Z-Leu-leu-leu-al 510.2754 10.03 [M+Cl]-1 [SThydrox]N-(3alpha-hydroxy-5beta-cholan-24-oyl)-glycine3-sulfate 512.2685 10.64 [M-H]-1 Deoxyuridine triphosphate 512.9719 12.69 [M-H]-1 Dihydroneopterin triphosphate 513.9929 4.50 [M-H]-1 2,4-dinitrophenyl-S-glutathione 514.0453 16.07 [M-H]-1 Taurocholate 514.2842 10.94 [M-H]-1 Deoxycholylthreonine 514.3130 12.12 [M-H]-1 (2E,4Z)-hexadeca-2,4-dienedioyl-CoA 514.6319 12.08 [M-H]-1 1-docosanoyl-glycero-3-phosphate 515.3113 12.11 [M-H]-1 CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) 515.9918 12.37 [M-H]-1 N-Acetylcochinol-O-phosphate 516.0330 15.01 [M-H]-1 Lipoyl-AMP 516.0741 16.14 [M-H]-1 {[(3alpha,7alpha,8xi,10xi,12alpha,13xi,17xi,20xi)-3,7,12-Trihydroxy-24-oxocholan-24-yl]amino}methyl hydrogen sulfate 516.2631 9.43 [M-H]-1 LysoPC(18:3(6Z,9Z,12Z)/0:0) 516.3099 12.10 [M-H]-1 12-hydroxyheptadecanoyl-CoA 516.6285 12.02 [M-H]-1 Riboflavin cyclic-4',5'-phosphate 517.0126 13.61 [M-H]-1 hodgkinsine 517.3088 12.08 [M-H]-1 (2R)-2-Hydroxy-2-phenylethyl glucosinolate 517.9892 12.37 [M-H]-1 Thioguanosine 5'-diphosphate 518.0153 13.67 [M-H-H2O]-1 Sulfanilic acid 518.0270 14.79 [M-H]-1 Tenofovir disoproxil 518.1673 15.02 [M-H]-1 Avagacestat 519.0507 17.93 [M-H]-1 6-Thioguanosine-5'- O- triphosphate 520.0066 13.53 [M-H]-1 Phosphoaminophosphonic acid-guanylate ester 520.9988 15.92 [M-H]-1 XTP 522.9666 11.91 [M-H]-1 4'-Galactooligosaccharide 523.1734 7.40 [M-H]-1 Dibutyryl cyclic 3',5'-cytidine monophosphate 524.0399 16.40 [M-H]-1 LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 524.2770 3.16 [M-H]-1 CDP-DG(18:1(12Z)-2OH(9,10)/i-19:0) 525.7759 12.08 [M-H]-1 Indoxacarb 526.0615 14.96 [M-H]-1 PGP(i-21:0/LTE4) 526.7745 12.13 [M-H]-1 CDP-DG(18:1(9Z)/22:3(10Z,13Z,16Z)) 527.7734 11.83 [M-H]-1 Cyanidin 3-(6''-acetylglucoside) 528.0650 15.51 [M-H]-1 Uridine triphosphate 528.9656 16.13 [M-H]-1 5'-O-[{[(2E,4Z)-4-{[(2S)-2-Amino-3-hydroxy-3-iminopropyl]imino}-4-hydroxy-2-butenoyl]oxy}(hydroxy)phosphoryl]adenosine 529.1220 15.00 [M-H]-1 1-Palmitoylphosphatidylcholine 530.3004 3.81 [M-H]-1 LysoPC(16:0/0:0) 530.3018 3.26 [M-H]-1 SM 22:3;2O 530.3492 12.01 [M-H]-1 UDP-L-rhamnose 531.0319 15.73 [M+Cl]-1 DG(8:0/0:0/18:3(9,11,15)-OH(13)) 531.3048 7.94 [M-H]-1 Inositol 1,3,4-trisphosphate 532.9539 12.47 [M-H]-1 UDP-alpha-D-xylose 533.0263 16.21 [M-H]-1 PIP(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 534.2431 12.06 [M-H]-1 UDP-L-arabinose 535.0258 13.70 [M-H]-1 PA(20:4(5Z,7E,11Z,14Z)-OH(9)/2:0) 535.2425 12.11 [M-H]-1 CDP-ribitol 536.0676 17.74 [M-H]-1 Taurodeoxycholic acid 536.2404 12.08 [M-H]-1 5-Fluorouridine 5'-triphosphate 536.9203 11.83 [M-H]-1 5-Carboxypyranopelargonidin 3-O-beta-glucopyranoside 538.0557 16.10 [M-H]-1 Cyclic ADP-ribose 540.0534 17.07 [M-H]-1 Hydromorphone-3-glucuronide 540.0768 15.03 [M-H]-1 D-Chicoric acid 541.0609 15.96 [M-H]-1 Xanthosine 5-triphosphate 542.9612 14.63 [M-H]-1 DG(20:3(6,8,11)-OH(5)/0:0/8:0) 543.3636 3.33 [M-H]-1 3-oxo-docosapentaenoyl-CoA 543.6326 12.71 [M-H]-1 (4Z,7Z,10Z,13Z)-15-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-4,7,10,13-tetraenoyl-CoA 545.6295 12.81 [M-H]-1 (5Z,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoyl-CoA 545.7058 12.14 [M-H]-1 Citicoline;cytidine5'diphosphocholine 547.1200 17.49 [M-H+HAc]-1 (7Z,10Z,13E)-Tricosa-7,10,13-trienoyl-CoA 547.7038 12.11 [M-H]-1 3-Oxodocosanoyl-CoA 550.6784 12.42 [M-H]-1 1-deoxy-L-glycero-tetrulose 4-phosphate 551.0313 1.15 [M-H]-1 pateamine 554.3033 3.21 [M-H]-1 Tyrosine conjugated deoxycholic acid putative 554.3465 3.17 [M-H]-1 Cer 21:0;3O/12:0;(2OH) 556.4923 12.05 [M-H]-1 Cysteinyl-Glutamine 557.1710 12.08 [M-H]-1 Phosphoribulosylformimino-aicar-P 558.0656 16.85 [M-H-H2O]-1 5-(3,5-Dihydroxyphenyl)-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0~2,11~.0~3,8~.0~15,20~]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol 559.1228 15.88 [M-H]-1 Cer-NP t35:3 562.4839 12.01 [M-H]-1 D-Panose 563.1828 18.05 [M-H+HAc]-1 1F-beta-D-Fructosylsucrose 563.1841 17.44 [M-H+HAc]-1 3,4-Difluoro-2-[(2-Fluoro-4-Iodophenyl)amino]-N-(2-Hydroxyethoxy)-5-[(3-Oxo-1,2-Oxazinan-2-Yl)methyl]benzamide 564.0274 16.37 [M-H]-1 UDP-α-D-kanosamine 564.0646 17.87 [M-H]-1 UDP-alpha-D-galacto-1_4-furanose 565.0479 17.96 [2M-H]-1 Uridine 5'-diphosphogalactose 565.0486 17.54 [2M-H]-1 Jamaicamide A 565.1483 44.54 [M-H]-1 Cytidine-5'-diphosphocholine 567.0281 12.81 [M-H]-1 Octadecane 567.6359 12.09 [M-H]-1 2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate 574.0603 17.35 [M-H]-1 3,5-Di-O-galloyl-1,4-galactarolactone 574.9723 13.54 [M-H]-1 Amioca 575.1828 21.28 [M-2H]-2 LPS 22:1 578.3463 3.13 [M-H]-1 CDP-DG(22:3(10Z,13Z,16Z)/TXB2) 578.7798 12.17 [M-H]-1 N-(4-Methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)benzenecarboximidic acid 579.0280 18.70 [2M-H]-1 2-(4-(2,3-BIS-METHACRYLOYLOXYPROPYLOXY)-PHENYL)-2-(4'-(2-HYDROXY-3-METHACRYLOYLOXYPROPYLOXY)-PHENYL)-PROPANE 579.2596 2.66 [M-H]-1 ADP Ribose 580.0598 15.37 [M-H]-1 UDP-D-Xylose 581.0424 13.18 [M-H]-1 Ivosidenib 581.1331 8.39 [M-H]-1 SM 26:5;2O 582.3775 3.12 [M-H]-1 NCGC00381203-01_C31H46N4O7_2H-Pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone, 3-(7,8-dihydroxy-6-oxooctyl)octahydro-9-(1-methylpropyl)-6-(phenylmethyl)- 585.3283 2.25 [M-H]-1 Uridine diphosphate glucose 587.0293 17.56 [M-H]-1 GDP-β-L-fucose 588.0748 17.82 [M-H]-1 LysoPS(18:2(9Z,12Z)/0:0) 588.2612 7.98 [M-H]-1 Cer(d16:1/23:0) 588.5652 12.06 [M-H]-1 LPI 18:5 589.2444 11.98 [M-H]-1 HexCer-NS d69:5 590.0176 15.35 [M-2H]-2 HexCer-NS d69:3 592.0324 15.51 [M-2H]-2 FAHFA 39:7 593.4574 11.94 [M-H]-1 9-Octadecen-1-amine 593.5646 12.97 [M-H]-1 SM 48:3;2O(FA 20:0) 594.0219 15.90 [M-2H]-2 3a,7a-Dihydroxy-5b-24-oxocholestanoyl-CoA 597.7116 12.07 [M-H]-1 Stigmastanyl-phosphorylcholine 600.4514 9.65 [M-H]-1 Gly-Pro-Gly-Arg-Ala-Phe 602.3026 9.80 [M-H]-1 4,5,6,9,13,14,15,18-Octahydroxy-6b,18a-dihydroisochromeno[4',3':6,7]chromeno[5,4,3-cde]isochromeno[4,3-g]chromene-2,7,11,16-tetrone 603.0025 15.91 [M-H]-1 GDP-α-D-mannose 604.0692 18.17 [M-H]-1 Adenosine tetraphosphate 605.9077 42.20 [M-H]-1 UDP-N-acetylglucosamine 606.0750 17.10 [M+FA-H]-1 LPC O-25:0 607.4970 12.09 [M-H]-1 DG 40:6_40:6 607.5269 16.09 [M-2H]-2 N-Acetyl-D-glucosaminyldiphosphodolichol 608.2028 7.25 [M-H]-1 1,1-Diiodoethane 608.6790 12.90 [M-H]-1 Quercetin 3-O-rhamnoside-7-O-glucoside 609.1443 16.89 [M-H]-1 LDGTS 26:2 609.4958 11.79 [M-H]-1 CDP-glucose 610.0703 15.47 [M-H]-1 CMP-N-acetyl-β-neuraminate 613.1403 19.47 [M-H]-1 PC 24:4 613.3757 2.80 [M-H]-1 TG 8:0_9:0_18:5 613.4467 13.60 [M-H]-1 Pelargonidin 3-p-coumarylglucoside 614.1251 16.80 [2M-H]-1 GDP-mannuronate 615.0317 15.94 [M-H]-1 GDP-guluronate 616.0274 13.76 [M-H]-1 Cer(d18:0/20:0) 616.5535 12.99 [M-H]-1 UDP-2-acetamido-3-amino-2,3-dideoxy-α-D-glucuronate 619.0678 12.47 [M-H]-1 LysoPI(20:4(5Z,8Z,11Z,14Z)/0:0) 619.2892 8.42 [M-H]-1 DG(14:0/22:1(13Z)/0:0) 621.5457 12.79 [M-H]-1 GDP-alpha-D-glucose 622.0821 15.02 [M-H]-1 Cer(d18:0/22:0) 622.6380 11.97 [M-H]-1 Caged insp3 628.0273 16.34 [M-H+HAc]-1 Juliflorine 628.5760 12.96 [M-H]-1 CMP-N-glycoloyl-β-neuraminate 629.1357 17.84 [M-H]-1 LPS 3:0 629.1363 17.73 [2M-H]-1 PC 25:2 631.4241 12.06 [M-H]-1 CL(14:0/14:0/16:1(9Z)/14:0) 632.4229 12.07 [M-H]-1 Petunidin 633.1285 19.16 [2M-H]-1 4-hydroxysphinganine 633.5683 12.82 [M-H]-1 Cer(d18:2(4E,14Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) 634.4195 12.00 [M-H]-1 Lonafarnib 635.0422 13.10 [M-H]-1 DG(18:1(9Z)-O(12,13)/i-18:0/0:0) 635.5308 11.93 [M-H]-1 Hex2Cer 64:4;2O 637.0134 15.92 [M-2H]-2 Tyrosyl-Aspartate 637.1855 2.13 [M-H]-1 Ganglioside GD1b (d18:1/24:0) 639.0034 12.75 [M-H]-1 N-Acetyl-L-phenylalanyl-3,5-diiodo-L-tyrosine 642.9071 12.85 [M-H]-1 FAHFA 42:3 643.5662 12.04 [M-H]-1 beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp 645.1864 17.80 [M-H]-1 Dictazole B 649.0320 12.86 [M-H]-1 PC 27:5 653.4057 2.74 [M-H]-1 Adenosine thiamine diphosphate 654.1247 16.27 [M-H]-1 PA(2:0/LTE4) 654.2518 2.19 [M-H]-1 yl-(1->4)-alpha-D-glucopyranose 656.2095 21.73 [M-2H]-2 18-(p-Iodophenyl)octadecyl phosphocholine 658.2386 2.19 [M-H]-1 Thio-NAD 660.0463 15.98 [M-H]-1 NAD 662.1033 17.10 [M-H]-1 SM 30:1;3O 662.4984 12.02 [M-H]-1 Dictazoline A 663.0460 13.19 [M-H]-1 NADH 664.1195 16.17 [2M-H]-1 NAGly 26:7/14:0 664.4955 12.14 [M-H]-1 Tetraglucoside 665.2148 19.21 [M-H]-1 1_3-alpha-D-Mannosyl-1_2-alpha-D-mannosyl-1_2-alpha-D-mannosyl-D-mannose 665.2158 18.86 [M-H]-1 Kynostatin 272 666.2407 2.19 [M-H]-1 (2R)-2-(Diiodoamino)-3-[4-(4-hydroxyphenoxy)phenyl]-2-iodopropanoic acid 669.7491 11.96 [M-H]-1 Cer 27:3;2O/16:2;(3OH) 670.5752 12.68 [M-H]-1 LDGCC 29:0 671.5732 12.56 [M-H]-1 Cer(d18:1/23:0) 672.5725 12.75 [M-H]-1 ADP-ribose 2'-phosphate 673.9876 13.80 [M-H]-1 27-O-Demethyl-rifamycin SV 682.2846 2.19 [M-H]-1 PG O-20:5_11:0 683.4293 11.79 [M-H]-1 PA(20:5(5Z,8Z,11Z,14Z,17Z)/14:0) 685.4264 12.16 [M-H]-1 A(i-20:0/12:0) 685.4287 11.92 [M-H]-1 Tri-N-acetylchitotriose 686.2715 2.21 [M-H]-1 PG 30:3 687.4240 11.97 [M-H]-1 DG(18:0/0:0/18:1n7) 689.5305 12.84 [M-H]-1 Cyanidin 3,5-diglucoside 690.0709 14.96 [M-H]-1 tricaffeoyl spermidine 690.2862 2.19 [M-H]-1 SM 32:1;3O 690.5291 12.71 [M-H]-1 Cer-NS d45:1 690.6796 11.96 [M-H]-1 UDP-D-galacturonic acid 692.9936 12.90 [M-H]-1 Kynostatin 227 694.2733 2.25 [M-H]-1 Cer-NP t44:0 694.6687 12.39 [M-H]-1 Thaliblastine 695.3346 12.39 [M-H]-1 [(2R,3S,4S,5R,6R)-6-[1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate 697.2503 11.99 [M-H]-1 PC 30:4 697.4700 2.85 [M-H]-1 1,2-Dilauroyl-sn-glycero-3-phosphocholine 700.3647 12.08 [M-H]-1 Nicotinic acid adenine dinucleotide 701.0255 14.09 [M-H]-1 glycocholate glucuronide 702.3619 12.09 [M-H]-1 PE 86:20 703.0168 14.41 [M-2H]-2 (2Z)-2-(3-Phenylpropoxyimino)butanoic acid 704.3591 12.02 [M-H]-1 DGCC 42:10_42:11 706.5344 13.79 [M-2H]-2 PC(18:1(12Z)-2OH(9,10)/2:0) 708.3535 12.12 [M-H]-1 Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside 709.1228 19.19 [M-H]-1 DGCC 42:9_42:9 709.5625 15.12 [M-2H]-2 Buprenorphine 3-beta-D-Glucuronide 710.3155 2.19 [M-H]-1 PG O-22:5_11:0 711.4613 11.90 [M-H]-1 PC(20:4(5Z,7E,11Z,14Z)-OH(9)/2:0) 714.3024 2.21 [M-H]-1 PC(2:0/TXB2) 718.3173 2.19 [M-H]-1 Inosine 2',3'-cyclic phosphat 719.0848 15.79 [M-H]-1 NALOXONE HYDROCHLORIDE 725.2367 19.34 [2M-H]-1 PC 32:2 729.5328 12.49 [M-H]-1 CL 72:1 730.5340 16.08 [M-2H]-2 (2E)-3-[3-(sulfooxy)phenyl]prop-2-enoic acid 731.0130 15.18 [M-H]-1 ADP ribose 1'',2''-cyclic phosphate 731.0150 14.63 [M-H]-1 yl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose" 737.2364 22.01 [M-2H]-2 PC 34:5e 737.5380 9.60 [M-H]-1 PA(8:0/LTE4) 738.3464 2.20 [M-H]-1 Patellamide A 741.3255 12.04 [M-H]-1 Taurodeoxycholic acid 3-glucuronide 742.3241 11.77 [M-H]-1 NADPH 744.1077 17.04 [M-H+HAc]-1 MLCL 18:1_22:3_36:4 744.5202 13.16 [M-2H]-2 Diguanosine diphosphate 745.0505 13.18 [M-H]-1 MGDG 34:6 745.4917 12.62 [M-H]-1 PC 35:7e 747.5206 2.95 [M-H]-1 [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 753.2255 15.04 [M-H]-1 Phosphoribosyl-ATP 755.9917 13.35 [M-H]-1 GM3 d60:2 756.5440 13.15 [M-2H]-2 UDP-N-acetylmuraminate 758.0314 15.89 [M-2H]-2 2-Acetamido-2-deoxy-1,6-di-O-phosphono-beta-D-glucopyranose 761.0359 16.11 [2M-H]-1 Shikimate-3-phosphate 761.0359 16.06 [M-H]-1 NAOrn 26:7/17:1 761.5838 3.07 [M-H]-1 DGDG 23:1 763.4488 12.50 [M-H]-1 Oleandomycin2'-O-phosphate 766.3793 2.22 [M-H]-1 Guanosine-P3-Adenosine-5',5'-Triphosphate 771.0668 13.38 [M-H]-1 D-fructose 6-phosphate 773.0016 15.21 [M-H]-1 5',5'''-diadenosine triphosphate 774.0025 14.16 [M-H]-1 Adenosine thiamine triphosphate 774.0781 15.56 [M-H]-1 trihydroxyferuloyl spermidine 780.2899 12.05 [M-H]-1 Orotidylic acid 781.0389 13.85 [M-H]-1 DGTS 18:0_19:0 781.6767 11.56 [M-H]-1 Asparaginylglutamic acid 782.2864 12.04 [M-H]-1 PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 790.5409 3.08 [M-H]-1 D-sedoheptulose-1,7-bisphosphate 790.9475 12.67 [M-H]-1 N-Glycoloylganglioside GM1 791.9475 12.40 [M-H]-1 Ganglioside GD2 (d18:1/12:0) 794.4102 2.25 [M-H]-1 Hex3Cer 77:14;2O 799.0663 15.76 [M-2H]-2 6-Methylthiopurine ribonucleoside 801.0210 15.92 [M-2H]-2 Diadenosine triphosphate 801.0884 15.78 [M-H]-1 PS(14:0/PGJ2) 804.4496 12.72 [M-H]-1 CL 84:11 804.5492 15.53 [M-2H]-2 PI O-18:5_16:3 807.4452 12.51 [M-H]-1 Pimecrolimus 808.4439 12.73 [M-H]-1 Naadph 813.0188 14.66 [M-H]-1 PS(PGJ2/14:0) 822.4047 13.02 [M-H]-1 Chivosazole E 822.4409 3.49 [M-H]-1 Hex3Cer 81:14;2O 827.0900 15.11 [M-2H]-2 Amylopectin 827.2692 20.03 [M-H]-1 10-Hydroxy-4-isopropyl-7,13,13-trimethyl-18-oxapentacyclo[9.5.2.0~1,12~.0~2,9~.0~4,8~]octadeca-2(9),6-diene-3,5,17-trione 827.4024 2.78 [2M-H+HAc]-1 Uroporphyrin 829.5398 13.85 [M-2H]-2 Ac4PIM2 18:0_18:0_16:0_16:0 832.5670 15.17 [M-2H]-2 Hex2Cer 17:3;2O/16:3 836.5127 11.32 [M-H]-1 PS(14:1(9Z)/24:0) 838.5484 15.56 [M-2H]-2 propanoyl-CoA 840.0354 15.89 [M-2H]-2 5-Amino-4-hydroxy-3-(phenylazo)-2,7-naphthalenedisulfonic acid 845.0299 13.69 [M-H]-1 Coenzyme A 846.0353 14.60 [M-2H]-2 PGP(18:1(9Z)-O(12,13)/i-12:0) 853.3834 12.77 [M-H]-1 butanoyl-CoA 856.2202 12.08 [M-H]-1 5-Hexenyl glucosinolate 861.1532 11.98 [M-H]-1 PI(16:0/20:2(11Z,14Z)) 861.5539 10.48 [M-H]-1 DGDG 30:1 861.5541 3.02 [M-H]-1 malonyl-CoA methyl ester 862.0399 13.78 [M-H]-1 Gb3Cer 862.4106 12.85 [M-H]-1 PA(20:3(5Z,11Z,14Z)-O(8,9)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 863.3806 2.72 [M-H]-1 DLCL 16:3_16:3 863.4093 12.67 [M-H]-1 PC(40:6) 870.5424 13.86 [M-2H]-2 (G)(NAM)-AemG 882.3618 12.60 [M-H]-1 Muroctasin 885.5530 3.01 [M-H]-1 PI(18:0/20:4(5Z,8Z,11Z,14Z)) 885.5534 10.32 [M-H]-1 PS(18:1(9Z)/20:3(6,8,11)-OH(5)) 886.5526 15.53 [M-2H]-2 PS 44:8 886.5563 10.51 [M-H]-1 N-Palmitoyl Arginine 887.4248 2.76 [M-H+HAc]-1 Cer 37:3;2O/24:6 898.7994 11.97 [M-H]-1 METABOLITES_END #END