#METABOLOMICS WORKBENCH Gustavo_Palacios_20250908_095051 DATATRACK_ID:6395 STUDY_ID:ST004190 ANALYSIS_ID:AN006962 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 POSITIVE 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 +3600 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_R2_Pos Alix_R3_Pos Alix_R4_Pos Ozz_R1_Pos Ozz_R2_Pos Ozz_R3_Pos Ozz_R4_Pos Ozz_R5_Pos Ozz_R6_Pos WT_R1_Pos WT_R2_Pos WT_R3_Pos WT_R4_Pos Factors 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 Acetate 4604559.19 4321802.022 4573050.515 2367755.818 2162720.845 2189738.123 2367517.887 2339547.317 2626302.264 3207066.238 2451416.362 2271292.112 2554632.187 Urea 706499662.3 2764017430 2313239917 2547041162 1745646173 3086614499 3148232631 2048370817 2033051421 1979335661 2104644064 1443706216 1526636043 8-Hydroxyguanine 8946214.155 7368223.69 7152591.456 1876034.405 2204088.573 1823561.051 1891631.608 1487069.191 1534469.501 1591793.669 1382115.766 1753136.846 1294746.937 Cyclopentadiene 7952697.95 12090895.66 11912567.87 20179836.1 20278894.53 12643432.05 18804748.16 16802864.06 18664475.79 10689310.63 14237217.67 14176472.47 14659316.46 Isoprene 5215735.671 6740851.635 4669035.971 5237057.624 5370006.205 5256740.921 6073711.087 6710843.724 7608658.748 5621981.657 5317317.945 6096017.802 7006396.131 3-Aminopyrrolidine 529835.9107 801480.03 958963.6238 3218658.032 2764640.43 4297772.324 4047986.36 4845038.31 5849522.493 7451559.813 6769853.843 7830149.708 7602606.534 2-Methylpropionitrile 5998009.27 7897981.042 7872209.306 22094932.96 21885778.21 21176316.41 18993283.94 15851263.31 14985498.43 12223325.66 19597608.94 17978805.27 15487388.09 Beta-Aminopropionitrile 4936703.312 13295835.55 7998959.964 15690874.23 12521625.47 16449139.46 34470577.59 20324120.69 44183368.15 42613384.49 22846585.23 41189508.81 39115754.31 Acrylamide 301557.6709 2266707.559 560307.7637 1623330.951 883966.2011 751284.412 576067.907 821043.8396 616964.0318 666073.1521 680384.8904 438704.0045 1534347.966 1-Ethylaziridine 5215070.476 6960956.998 6527308.529 4418902.233 9254149.853 4734542.424 3913679.77 3198699.063 3211729.566 5732535.913 4672374.757 3128000.58 4307706.85 Enolaldehyde 4151767.515 2875464.666 6078819.443 3918051.163 1433370.955 1998886.658 2671833.304 2638120.649 5169914.348 1666535.139 2268727.732 3663834.975 5117772.5 1-Butanal 35543783.8 6864973428 53908507.66 113843100.8 6118522767 103765765.6 103599137.7 93744333.27 85477824.83 97849214.87 40741231.25 57244433.05 78219867.27 Canavalmine 359233.3873 1058171.474 528069.1396 523691.5205 420901.5499 470808.6875 496862.0224 504776.6077 538707.3205 598312.6477 686674.7109 414623.3455 395366.2539 2-Iminoacetate 34409904.95 48337519.96 42581039.67 48010995.95 43118967.93 28883936.82 23989395.19 39376671.26 37183693.14 30148538.23 35761779.95 28390752.98 26059534.86 Aminoacetone 9715298.216 13842529.95 13267618.94 13414717.89 12370106.69 17058452.44 13430211.25 13729938.18 13576334.04 18215327.63 21277738.19 16005146.59 15910160.8 Methylguanidine 9075160.189 10172282.73 11167513.09 17520359.54 13080465.2 23720827.17 14227890.03 14959876.52 14595542.18 17191908.1 17779537.04 13402333.14 13451921.85 2-Methylpropanamine 30368896.34 36805410.01 42783432.4 38777750.37 45395844.21 50316323.04 43192827.14 34084270.7 41649152.69 37197274.73 36976142.54 32596369.97 36580184.4 Glycine 6268387.676 7626634.667 10922744.15 4973833.726 4748773.255 6900409.243 4233302.867 6026940.834 5735873.967 5122387.771 5473200.668 5139936.123 4895835.059 Acetohydroxamic acid 44736280.07 64365348.42 62777149.9 185889742.3 154187112.1 115196869.8 99734055.49 117568012.8 106971843.7 103065121.5 108436920.8 62843787.64 68290702.18 N-Monomethylethanolamine 6369077.494 4281716.711 3062910.881 4753873.577 16025599.1 1998979.438 6547052.936 3704701.911 3834403.735 10596447.64 1940796.73 5773763.993 4865878.859 Trimethylsulfonium 6991927.915 12978628.06 10703230.29 10112799 8096932.665 9584173.134 8890278.874 8426617.642 5480275.491 7453303.572 14767167.66 3025488.813 4528374.732 Ethylsulfenate 7488128.856 14017111.56 11353205 19813501.61 18190921.31 75730955.46 113693189.8 204026348.9 134013484.1 3196880505 113214582.8 25869328.55 112351450.2 Benzene 475041.9254 1284515.395 837181.1085 811187.0386 1166166.555 1365035.497 1438835.877 1115784.954 822614.6648 1365932.133 1463977.899 1301933.341 1135370.621 Pyrimidine 392994.7384 412347.0577 395559.7305 765325.8214 758404.0981 724007.8239 634891.8809 720809.5929 513133.6117 440005.4006 565631.4231 787984.2096 496606.2101 1,3,5-Hexatriene 29476067.18 78224674.06 45417032.02 105655329.5 66730179.47 84107218.24 48879068.2 78487072.42 55660045.92 93852946.84 97790173.05 16833419.26 51000592.52 2,4-Diaminobutyric acid 993671.972 759321.1935 445876.267 308920.502 332628.0308 240827.5143 157626.9237 251579.4158 117585.3317 189663.8274 153166.0128 141950.0097 83084.26901 Acetamide 320776.9544 345421.0304 330146.9758 907780.1755 910873.2269 907753.5188 891847.8157 869372.4693 842692.9909 832226.0453 871667.3387 801906.754 831648.9073 O-ureido-D-serine 5556821.365 16974591.99 26039524.77 41454476.04 28795405.85 40770322.76 25583743.05 25187204.56 36894631.63 30776099.52 67090454.46 9418766.088 13067218.97 S-Nitrosohomocysteine 3018235.065 5975954.022 4884423.496 4096178.009 2653590.595 3551563.798 2852803.645 2830177.351 2334948.754 2088641.285 2529044.623 1918372.636 2000352.398 Fomepizole 12759131.32 14945732 15256854.58 13916489.49 13145298.84 13179727.25 12613132.9 11988505.79 12761205.77 12352730.67 11847875.32 12384523.5 11952886.43 Oxazine 6481162.999 7817036.373 7897115.03 26348973.89 24764499.3 24296634.25 20206540.79 23107270.48 22999309.7 24812232.93 26157672.16 17942158.42 18916623.25 5-Aminoimidazole 1017092.422 1259067.664 822856.1191 3344510.586 2378120.794 6717063.084 6588163.721 5215567.973 5524034.456 11254292.79 13226627.83 16709271.38 11565692.79 2-Methylbutyronitrile 534581.9586 544225.4545 765238.2203 7217467.57 4473942.715 5850641.509 3230778.594 6227049.499 3212830.757 6112924.153 6958721.092 5603324.565 4999839.222 Pentadecylamine 150878.536 113513.7924 166995.7201 176990.3538 238924.3731 181336.7264 225982.5192 157118.7666 181807.2199 274275.2581 285071.0889 177319.8612 240742.31 4-Hydroxy-2-butynal 1659290.619 3122853.354 2860813.958 1980450.746 1774047.18 2905875.523 2261120.675 2863345.828 2510489.147 3216300.749 2533556.786 1483118.953 1665673.276 Imidazolone 2131136.167 2389418.738 2374617.514 6274195.227 4359644.521 5827443.712 5571859.298 5750998.845 6542637.595 6150805.826 5590166.121 4740794.104 5445895.1 3-Methylbut-2-enal 4691142.179 6884005.884 5543638.973 5719245.516 4557378.281 6727151.744 5270871.989 5292553.564 4999766.491 4623820.241 5198526.524 3284016.75 3634248.623 1,4-Diamino-2-butyne 23411211.92 28117514.99 36331003.92 13155729.3 11096377.73 13122071.88 11774847.62 9440604.477 8032418.478 9268978.894 10880071.36 9471768.582 6381623.505 4-Methyl-1-pentene 1134705.535 1618011.806 1651433.94 3756124.001 2917740.031 3914635.543 2269377.94 2892407.122 2065688.139 3695755.63 3486182.934 1949154.979 2204697.234 Acetone cyanohydrin 591655.2614 719919.836 713896.5829 1549284.098 1019003.68 1361787.841 1072717.118 1196931.923 1079645.704 856451.7004 1322746.21 882092.9032 817189.0194 tetrahydrotriazine 340820.5764 3239938.116 578416.6774 2484589.587 842310.2759 3088254.418 2182834.022 586088.1628 2359433.552 2687302.639 2214432.471 472846.3505 1786604.207 Putrescine 316420.4537 584347.9631 900012.5394 1984036.205 1390044.687 3170999.068 2860205.63 2750744.476 2746011.218 6033872.749 5712663.268 5531270.314 4078984.46 2-Methylpyrrolidine 185413586.5 143495047.2 141439489.9 111654951.9 95527309.64 98688725.35 87524747.71 96093612.39 91607113.39 92986256.25 586050714.7 141501758.9 95756737.05 Piperidine 91359170.26 341858457.3 92293409.84 133710547.8 112538401.1 132721064.5 111454929.1 120022000 125123095.4 99102313.44 113201800.1 466224914.3 111975501.1 2-Imidazolidone 10349610.81 11410924.14 9003254.524 13310439.17 14286965.33 8294904.011 17386439.03 12111487.74 14036794.17 12575875.08 14308149.37 16123985.5 14960868.63 2-Methylbutanal 9848305.522 22373584.2 20748017.87 23947196.22 28741052.56 22012187.49 35107002.71 15930203.34 27564152.29 22062098.15 26228643.73 26114153.66 23956253.82 2-Aminoprop-2-enoate 93794962.71 128427362.5 114266361.2 138576877.7 122163043.8 87250783.47 73214180.84 108543373 103084110.7 96629015.35 98811874.85 76461178.47 73145240.36 4-Aminobutanal 18023299.54 27156653.66 25476587.9 33302464.19 31276139.65 51596021.72 39058237.55 20191173.14 17552749.53 24113429.28 25298815.09 22705724.23 23268677.18 N-Ethylguanidine 22094289.22 28558825.83 23744702.52 16682261.48 17225152.94 20656173 18298500.35 19405000.53 20544137.9 21136253.81 23937491.22 18415709.22 21191514.73 Glyoxime 2784812.801 2530221.772 2749195.802 3027166.707 3110305.034 3166776.553 3134253.809 3193315.601 3160436.738 3266680.639 3034060.807 3231677.959 3238447.639 Isobutanoate 2175915.625 2243200.539 1851420.651 1806537.991 2299067.604 1970921.6 1587499.377 2081205.203 1528874.44 1531474.63 1492601.314 2342388.336 1575817.915 Lactamide 4797352.848 10768683.99 9094323.214 22277709.99 11525087.84 18439935.19 11495489.94 17255233.55 15443568.1 18603739.36 22282618.32 9378741.996 11105845.35 D-Alanine 5980196.483 6782644.581 7431656.686 12683022.9 14957727.86 15150474.62 13592603.6 15982571.01 14464559.91 12053415.16 14380783.35 9715183.073 11414826.92 N-Dimethylethanolamine 479694.5067 512079.9724 575735.2633 1251198.036 1561819.389 1186379.96 1116828.154 876505.7766 708981.1224 823737.2093 779185.3737 843537.9137 518939.1768 Iodoacetic acid 508607.0215 3233706.841 897643.737 5013974.399 2486002.585 1216084.801 4202897.689 3094599.963 1417674.766 1724186.439 2891380.251 1026722.844 4063108.565 1-Vinylimidazole 4644012.804 15036532.25 12049991.63 31255270.92 10131671.79 28443165.14 31137681.04 25787230.87 26128875.61 17340433.59 31801288.76 29028303.71 28510900.85 Histamine 77056051.05 153645727.4 148649591.9 221172097.4 155240623.8 245380303.1 211432554.4 175667426.7 202274080.5 259651485.5 285311410.4 140137828.4 178556411.4 Fumaronitrile 56641.17472 99110.33325 140146.6297 262370.3793 242255.0709 229202.8017 246211.8401 218390.5163 261152.1005 233517.2806 205548.5204 257818.98 240424.0232 Pyrimidin-5-amine 743262.7227 671309.8359 1389148.653 2799354.961 2068288.847 9434809.31 9419545.036 6465227.335 7304732.83 15786550.03 21609334.03 27965960.78 21880319.29 2-Amino-4-methylpyridine 197558.4268 84649.85149 104301.2874 195478.6115 168331.1651 175465.7028 146009.4695 159827.296 128461.8156 204762.4721 213047.609 161741.1662 232041.7114 1,1-Dichloro-2,2-difluoroethylene 503908.8791 463720.0043 580616.8699 352923.1433 320661.421 127052.5975 221705.302 250520.4277 329359.7902 113100.6693 198504.2868 144269.5508 208438.9926 Pyrrolidine-2-carbonitrile 905412.5508 1179924.1 1125543.334 4772482.856 3431881.045 11290792.13 10461857.76 8200379.411 9578087.208 19959434.73 23275817.41 28293489.49 21011669.72 1,2-Dimethylimidazole 482463.1957 1077022.176 532144.7586 1425894 1004677.883 945582.0976 841209.5087 762977.9031 766508.3921 1219960.838 920096.8868 898057.9556 1165850.287 Phosphoramidate 29043457.44 61019346 53934184.76 102662534 84609502.1 103460102.3 74171590.36 98746276.59 87005432.69 103866903.6 105416416.1 63150617.02 80748748.09 2-Hydroxypent-3-enenitrile 135642.833 153769.1214 156025.4685 359352.0631 404078.4337 504248.6 357603.9046 365157.9769 303698.2127 598562.3565 290322.7115 433971.5269 281634.7571 2,3-Dihydro-4-pyrimidinamine 353033.1258 625810.3151 531830.873 587235.7593 470795.9455 573939.3776 417255.5965 525902.6091 534109.8348 539805.8478 612255.9282 388649.1442 429627.1669 5,5-Dimethyl-1-pyrroline 71313.4966 84031.60525 109845.744 163965.2982 295036.2205 135437.6979 198141.1764 138893.7008 130958.2399 138594.3517 175435.9494 187429.3372 174788.6483 Diallylamine 5033694.934 10678253.03 8547833.536 15905496.07 7625306.53 21557086.94 12873391.85 11796730.52 13249897.56 20682137.14 13384958.15 7969857.399 9896873.158 4-Hydroxymethylimidazole 36414713.52 38960937.33 42893774.63 84030149.02 84234651.62 83316795 84113439.51 86945079.91 86496142.8 86602232.36 84386483.07 79732686.92 80467234.74 (Z)-3-Hexanal 422643.7413 736198.4554 872960.7947 1040671.788 946749.0875 1085838.827 1574166.106 1039524.573 905637.5561 1113503.461 2143107.322 2004184.59 1521288.033 PIPERIDIN-2-IMINE 185304.7831 228039.1683 167944.0864 231125.2869 238737.9008 228121.115 176304.4342 221553.324 190406.1201 164691.671 255063.7646 196092.3472 172985.6954 1H-Pyrrole-2,5-diol 175522.504 399935.5835 590365.0016 775458.2973 476858.4156 395274.6892 530213.459 936629.1319 1109498.602 491250.4449 899793.8707 476013.3486 474014.9297 Cyclohexylamine 26325803.81 28577964.42 23860125.06 47303027.14 42960855.9 63212889.08 53666025.47 46095005.75 60994363.66 52595413.99 48450123.33 46394306.83 55214049.71 N-Nitrosopyrrolidine (NPYR) 2302496.737 2088567.146 2161797.842 2360728.508 2419983.115 2333583.336 2329446.453 2315337.127 2339654.326 2431869.318 2400778.947 2470552.547 2326769.902 Gyromitrin 79227469.04 106030293.1 71399054.17 78286411.49 65907691.68 62404746.08 57810204.95 60378162.4 58215045.95 59839804.23 56426765.71 59697320.91 49366093.97 1-Aminopiperidine 38282.16575 29082.99372 28774.76676 35621.74159 30170.97601 53213.64462 62569.52714 38180.98356 52246.29441 68008.78625 67815.28501 71762.22294 52837.32142 1-Aminocyclopropane-1-carboxylate 61252296.4 86057108.49 62949063.84 81201380.51 73506789.95 69052565.61 56370409.93 68305352.18 85614872.37 55132063.77 65908132.14 59578813.22 52260123.68 2-Iminobutanoate 6319375.52 32705711.35 12332888.45 15022983.83 36487257.5 33497241.97 12379583.5 15782751.46 38862706.55 50483071.8 42991089.16 28363371.79 11473654.86 (2Z)-2-Aminobut-2-enoate 89448257.17 131246120.5 77767232.73 45717194.79 51784954.67 46408323.63 39340263.54 39973231.99 25309115.81 37019456.79 23903697.07 37816241.92 27587685.99 N,N-Dimethylbutylamine 7460883.784 4073377.012 3439626.773 4607844.722 4218606.441 4724470.958 4311122.728 4321131.216 4001572.469 3861509.945 4340586.627 4058424.017 3751805.779 L-cycloserine 41972.62981 108786.1176 189985.593 320794.0884 324393.5437 544806.984 453948.6881 440649.5016 464179.1287 700483.3253 909087.887 833062.2605 876336.7427 N-Propylurea 29516718.45 36267094.51 31152789.25 15525215.02 15007084.65 28495292.21 31990527.32 22648281.84 32372812.79 45029538.6 6996348.533 41525782.96 38111809.76 4-Aminobutanoate 281460.3401 332100.1039 278243.6262 212910.0888 296368.1548 309109.8383 334247.8391 215855.609 282414.2981 239300.9478 339577.5232 186154.3685 214209.9802 D-Alanine methyl ester 6098688.331 24226530.84 16022627.12 32118992.71 18023259.18 33232926.22 23123891.42 26065278.66 22106102 32254815.7 41268712.09 14145860.01 14467416.41 Choline 3828574833 6136784135 5132653117 5276867395 5019436177 4196647863 4528273591 5056059057 5044884497 5388470401 5356833163 4303653339 5086686655 putrescine amine 2962755.328 4990507.323 3886126.497 3675910.662 3773247.199 2772444.525 3056131.471 4043744.853 3488543.061 4256335.059 3294790.426 3320391.704 3875726.606 Glycolaldehyde 3283459.281 6789226.269 6963475.012 974984.7959 1005542.288 1132021.674 848449.634 1238628.631 890238.3545 949477.5411 953592.0708 706530.9468 146269.9994 Acetic acid 863423397.3 932802966.5 810609862.2 1371549715 1060684754 1326247353 1008115758 1072369643 1080721155 1298765248 1439575946 2989123166 1999973515 D-Serine 324540066.3 486881209.1 437845760.6 1501188698 960003400.9 1155558581 932274002.8 1092994809 1000809650 1266496559 1361647555 699128306.7 740922778 L-Serine 99885097.98 126594386.3 111370789 214810203.1 185283524.1 147333800.1 145034755.2 146756888.4 143209171.1 155590253.7 133524871.9 128098744.8 122847497.8 DI(Hydroxyethyl)ether 7943297.391 7464663.11 6405858.757 8377798.666 11199601.49 9669018.11 9632798.741 8021033.173 8660867.901 8489313.265 8256117.634 12118221.24 8549051.429 MALONONITRILE 43829.24198 37949.61173 43995.53185 47787.4014 55508.46106 60197.04165 47668.58352 121975.1623 88549.70387 36688.26822 300692.483 41149.46001 39355.3903 1H-Imidazo[1,2-b]pyrazole 240485.8527 335190.0716 323088.5037 75105.2884 146425.8016 141061.4466 78555.52582 54062.0489 118861.1638 100548.7397 63435.01899 88944.45642 100623.8222 METHYL METHOXYACETATE (1,1,1-D3) 1189735.173 3948038.884 2965997.933 1961161.811 1449313.194 6285911.779 1924048.749 1516942.053 3710992.568 4648293.13 6124350.932 3236152.956 1168789.491 1_2-Benzoquinone 8051419.942 17908458.58 14074723.25 26814560.4 13207876.23 17695138.16 13010724.81 30151749.29 18988004.48 6114080.663 5475875.654 12580446.82 11038209.66 1_2-Diaminobenzene 222575.69 215817.3496 232130.7912 222499.8974 318726.5402 219316.9001 148991.5862 247892.3206 158353.2235 158039.4523 169931.6943 128814.7734 267548.9235 (Z)-2-Butenenitrile 637443.1585 2206766.678 2223813.139 2379140.651 1763824.808 2160761.366 1998550.548 1645090.949 1687915.46 1819243.203 1717513.193 1032627.055 1217243.274 Vinylcyclohexene 184435.2441 206376.6536 195010.3566 328182.7187 397027.8236 392750.1775 418455.5118 473297.6142 360564.9151 329378.0384 319679.8592 323111.6798 239828.6575 Tyrosol 4-sulfate 67632.23639 623546.0095 82803.64989 118347.3649 98239.06097 155839.4298 112340.2309 107846.2811 81876.18033 665922.4571 161061.2197 65279.54749 89415.94036 L-Leucine-p-nitroanilide 873262.0949 2842733.529 51631233.65 15016962.44 4584285.886 15588939.14 8927694.782 8512752.85 7172412.02 9226809.749 1770191.21 2068328.699 5752543.514 2-Amino-4-methylpyrimidine 3447398.596 3627248.976 1539488.957 429846.3783 1428437.879 540442.3283 912019.6833 1249632.002 1145004.302 1102782.615 1278506.269 665098.8452 889412.2571 2-Hydrazinopyridine 1779171.858 1693901.535 1859010.689 1874168.381 2045162.013 1991489.019 1900567.973 2447820.907 2104961.974 2105013.454 2021831.485 2165234.401 2071748.891 Imidazole acetol-phosphate 85978.12181 699620.6588 505763.8213 628632.4694 252377.6431 51886.62018 334119.5218 1021619.377 131216.2105 4873616.573 3207657.702 1612361.845 2744345.915 Catechol 46677617.18 94667705.91 68903657.67 125668331.7 85086394.06 87023844.09 66293593.24 95529185.25 79687720.12 91076086.18 117542094.3 38342749.36 47227785.9 N-Acetylimidazole 884198.6926 974767.9813 1075542.386 1858366.291 1865521.769 1605456.061 1681793.499 1819568.407 1716675.76 1711135.286 1866297.18 1631384.507 1603433.673 2,4-Diaminopyrimidine 32751.54689 32458.7251 35634.72461 31936.59033 33854.46593 30451.99645 29233.01018 32661.41534 30205.25768 30123.64942 30204.57211 31575.03459 31874.83135 1-ALLYL-2-PYRAZOLINE 61036.63237 357813.9811 334849.1596 1689268.324 888902.159 3306237.712 3647194.509 2758202.398 3228453.659 5544369.054 1976492.032 9602169.412 7512692.296 3-Propyl-1H-pyrazole 161771.5371 294252.812 309918.1167 1055977.94 724232.8446 1868533.578 1640313.94 1509846.39 1486167.373 253628.5728 3906108.767 280327.1218 2800633.502 Isocytosine 4360981.33 7040207.429 5705084.362 6626035.227 5019950.757 5726894.237 5138393.193 5930725.335 4975299.945 6957312.936 6500905.705 3929697.041 4618385.354 Cytosine 4783794.021 11794478.38 10256425.4 6009356.028 7862853.252 6578804.592 4135415.237 10621161.95 10919560.51 8536217.854 6988011.488 4583528.993 6344715.78 N-VINYL-2-PYRROLIDONE 108006.3373 150842.3373 144478.4795 352952.5086 293709.3314 339412.8747 245641.2311 309695.2061 288467.2024 432386.4369 300439.3826 251144.0201 200650.5223 METHACRYLIC ACID ISOPROPYL ESTER-D1 627932.6143 795902.7972 835833.0993 725865.3061 704758.8112 800652.6094 720092.078 663384.3642 597893.259 630561.9511 695649.6408 630305.8171 665610.1509 Selenium Sulfide 2043310353 4126827843 3396943836 3805871315 2855552891 3738111347 2593875373 3446628678 3104592965 3489995993 3790492580 1969622542 2316155661 Uracil 267676.4287 195115.2737 157133.5771 300371.5491 312203.2804 288781.5432 251411.606 315640.2875 341707.5253 313993.5755 247664.1744 294368.089 257650.7322 N-methyl-beta-alanine 7422566.807 13563676.54 9999314.214 14607268.09 17817860.18 23111921.09 15824725.59 13658704.96 15015296.17 25948259.46 29840160.58 23691330.83 15582803.99 1,4-Diazabicyclo[2.2.2]octane 294193.9618 224741.8014 193398.4602 163331.308 109505.643 505906.5199 530581.2111 348214.4503 510167.1559 668389.3813 1421502 1821985.871 1430932.775 MFCD00084096 4006584.428 9426615.13 6332845.333 5795103.109 4594749.423 4432874.313 3750554.878 5181671.959 2419622.383 6691312.198 7068117.023 3202313.736 3852985.036 Creatinine 37971393.48 199384449 72931741.18 293979044.5 240207153.4 402077567.5 301954067.9 298698737 272135897.5 341137669.4 339981976.5 211501745.1 63073423.12 Caprolactam 113132098.2 326268084.1 297797866.6 646552244.7 456621468.9 715509501 563939304 485765425.4 434860366.3 701001715.7 689322341.2 285861259.1 426658299.3 1-Ethyl-2-pyrrolidinone 7353902.45 12975666.48 20952983.43 19528802.99 13968289.81 11595857.22 13397424.83 14173915.33 15861619.61 24745302.32 18048966.04 7733585.879 11697045.86 Acetone hydrazone 12012.92636 19072.45673 23408.31643 80590.94759 38866.49026 247098.8172 13941.38452 15748.34931 134657.7283 26739.26761 1493490.414 72300.21164 571051.4934 L-prolinamide 803015.1087 932666.6225 1321034.186 1952968.704 1557532.063 1614318.551 1132774.547 1184425.758 1416857.412 2106104.593 1819617.559 2147534.172 1522277.577 5,6-Dihydrouracil 4802711.292 6216797.267 8059541.733 2980590.695 2464002.931 2242798.529 2247878.49 1150164.155 1983047.6 2188741.895 2555647.695 1893186.505 1170101.36 Leucine 28501579.71 59799739.88 41211773.79 37807397.55 39863987.87 40704016.37 43146155.42 57915615.3 62353434.58 40065665 41607071.83 54152104.07 61823401.51 3-Amino-2-piperidone 1810787.459 2536792.633 2534907.439 3640943.548 2717164.458 6307907.437 5894716.285 3231317.059 2422054.194 6399241.937 11573517.48 7500893.295 7621963.133 N-Mononitrosopiperazine 473838.0224 967716.0339 1091655.815 4763469.991 3489063.131 9643434.53 9241906.488 7849264.159 8897880.087 17202636.52 19313481.81 22086673.74 16799979.76 Rhodanine 403386.087 1726212.198 1193127.843 644179.3835 712978.9275 763415.23 606303.5666 1955705.977 1692023.312 3166394.745 1944453.445 1928375.26 1781706.295 Asparagine 181479214.5 252267104.5 198552916.2 326936389.1 296105322.9 254167169.9 226123195.8 247058810 237478943.3 224102431 227187325.9 172616477.2 167865635.4 N-(1-METHYLPROPYL)ACETAMIDE 86872624.14 100623973.3 119408800.4 211983781.1 176028561.6 67964790.74 51414965.52 48030212.87 139139291.3 163365185.5 23095902.11 60381491.08 127923106.6 1-Pyrrolidineethanol 27643776.98 51611636.93 38158803.77 66342159.11 46300641.57 68486946.38 45687492.29 45731512.75 51754886.82 40955320.49 49798112.68 37226240.44 37836696.41 2-acetylthietane 3856709.102 4806866.829 2156202.791 5582207.051 8569552.213 12939448.33 14236936.12 3681089.804 12968130.32 11384832.17 6309847.026 12015371.76 12372014.41 N,N'-Diacetylhydrazine 3014520.549 3674489.182 3755530.623 5202369.037 5149933.202 5048739.585 4634822.716 5027155.621 5113147.01 5483630.631 5087576.234 5154052.005 4993722.404 1,6-Hexanediamine 7822043.932 8875946.129 7652889.827 11575109.46 10019698.98 8718018.41 9142608.154 12833865.79 10429051.25 9061696.216 13583081.6 8800297.126 8269152.01 Betaine 308071789.9 201544476.3 6932120.732 262829170.1 255347463.5 189311072.6 241880578.5 428775971.6 528538358.1 232761844.5 209059954.1 816785101.4 666251535.8 Adenine 122632128.5 233972317 191420731.2 214128995.1 184056189.4 211540275 195272595.5 215345785.5 276477606.2 314089221 364922881 140445550.4 143060207.6 Hypoxanthine 1333723.323 1198202.159 1862867.454 450650.0909 333506.2289 345208.2575 350055.6315 344116.837 346772.9657 550170.0013 912844.257 1068918.178 1095074.367 urea acetate 8287777.092 8990572.63 12179584.91 3588227.696 3525075.924 3384237.337 2718284.66 3346985.153 2817997.142 3018048.99 3285684.279 2499934.883 2660604.583 L-2,4-Diaminobutanoate 1719979.039 2603844.878 2766466.662 1790804.627 1370706.053 975935.272 1281219.433 749912.0385 653073.6266 1111925.804 1653928.244 6505997.584 851771.8809 L-Threonine 24647471.05 33942706.73 16839712.97 85088691.19 67547261.18 79622274.94 67144799.21 75640609.91 69685379.11 62933642.41 64447802.03 47977307.72 51334516.49 N-BENZYLIDENEMETHYLAMINE 8370134.78 20497783.68 12765326.33 17284012.1 11910532.39 18535161.27 14493077.88 14227895.72 13136911.4 12998095.56 14812344.28 6461891.136 7597451.068 N,N-Dimethylformamide dimethyl acetal 2242236.873 3700209.663 4623486.46 6892159.091 4922005.199 3362667.746 5945703.88 2419049.441 3805136.211 6132378.666 8652207.323 2196325.022 2888262.011 Phosphate 8277140.281 13613275.81 12867162.31 8289535.525 8526479.279 9446686.282 8404141.972 7595096.891 8335886.371 8294829.074 11347137.92 6520881.905 7398309.407 1,4-Diamino-2-chloro-2-butene 98286.64665 277118.3559 188627.2952 184911.7717 337029.9162 200178.3887 152208.4214 314162.9801 251710.1503 397755.6728 414060.7393 275581.509 113721.2609 Ethylamine 414213.5294 592965.4548 493364.0889 15458797.52 9604176.748 6609670.813 15002819.28 8641755.617 8278038.729 4672366.555 4591222.062 12421845.97 11448995.04 Chlormequat 30102227.31 40853412.62 40131740.79 30935377.55 3842784.506 140388037.4 130087979.2 5270565.797 71713342.31 210036982.4 331883539.9 311169997.9 34727223.42 N,N-Dimethylaniline 101123484 152449091.8 148017972.5 160614081.7 163779353.6 198074999.4 164306590.3 155857506 144026896.9 191716292.2 197592596.5 105316939.1 113907038.7 Diaminoguanidine 4341470.312 5423422.225 6541530.148 4921346.675 10551254.5 10433656.99 10300716.33 5675252.15 8088309.769 11443474.54 16125897.83 6644916.72 6406244.52 Nicotinamide 2771123786 5510356946 4175573354 5042143288 3775815972 5950929740 5656953664 6416019249 5857500387 5474594760 5838974641 4214937752 4166258373 1-(2-Chloroethyl)aziridine 557635.0389 1028145.361 678781.6701 550301.3644 480386.447 566489.5942 466458.797 662945.5569 527743.9295 573187.0308 597496.2993 414533.6134 435893.9204 Pyrovalerone 83712742.07 191284651.7 152774476 140835628.5 105054828.1 199787927 133908638.9 141142047.4 134072827.9 192772669.9 205110633.4 102647997 110021348.9 Nicotinate 221640.2658 380686.4977 353966.6303 637742.3046 594614.5975 440944.6404 738540.2164 375148.0838 373369.9549 639580.7425 680416.4705 274377.5362 455322.7261 2-(Difluoromethyl)arginine 13502279.65 11510819.24 10092148.42 10460439.33 12263354.16 14376809.79 14561624.98 15971383.12 15467858.21 16725833.7 14635076.2 16967039.26 20211518.39 Pesticide4_Pyrimethanil_C12H13N3_2-Pyrimidinamine, 4,6-dimethyl- 2715864.187 2980119.412 2960378.084 3038974.733 3230765.463 3193533.979 3092470.45 3077231.74 3082768.607 2884478.176 2851810.379 3018658.463 3017541.942 4-Dihydrocollidine 2500220.478 2685196.648 4661857.253 3773357.925 5697219.092 6816837.431 5599831.03 4801848.758 6142646.335 5452952.232 5455407.716 3524813.632 3255850.427 4-Hydroxybenzyl alcohol 8237855.473 10078778.19 7999790.926 16431309.7 15711012.76 9333875.323 6428242.104 9837684.226 8721365.985 12623586.8 14502970.48 4157793.93 5105954.394 4-Oxocyclohexanecarboxylate 206195.8867 248038.5537 355601.5812 380124.1743 397877.7706 253137.1309 444122.1847 247131.1913 168246.284 227398.1292 466811.2637 274438.3424 304129.0582 2,4-DIAMINOPHENOL 2033464.643 4166444.226 3329975.406 3697452.829 3654713.509 3809683.432 3495960.518 3560372.01 3691397.116 3987765.172 4160133.738 3762402.801 3838252.481 Methylimidazoleacetaldehyde 411536.9494 534737.4076 538324.922 786195.331 784139.331 813730.57 467861.5866 1012186.036 504551.5519 694559.4241 697793.7249 702484.0095 471571.8399 1,3,4,5-TETRAMETHYLPYRAZOLE 4116900.598 1223294.216 1490556.936 399132.8828 1337667.342 316728.6195 506227.5325 1200934.569 1401412.418 666286.8765 254449.9391 163879.2303 1024981.529 N-Methylpyridinium 4197545.518 6301924.721 4964465.584 5329954.182 3860219.346 6437809.809 4717246.033 4975719.549 4427844.094 4438041.362 4931673.424 2953663.946 3210712.676 Nitrosoheptamethyleneimine 55385368.59 96645191.85 71938597.02 172022087.1 111405911.9 204933659.3 118541614.3 115128467.5 99860443.78 108237069.3 132769336.4 56429933.29 66684435.93 3-Methylhistamine 1838014.659 2299825.296 1492153.36 8025232.838 6938781.506 19379039.3 25528021.8 18230745.96 34548108.23 21095791.36 25109289.75 40404314.02 39306919.13 2-methylhistamine 5991980.111 8172832.601 4713540.529 4276442.385 2433321.598 5667361.203 5025701.54 3726112.287 4479791.61 9757269.9 1618482.617 1593017.789 2973627.017 (R)-alpha-Methylhistamine 59167915.08 94379108.39 108380945.9 120278972 118738273.2 188755245.3 140484848.7 111258778.2 174236439.2 163319589.9 129584286.1 45382888.33 170862280.1 Octahydroindolizine 835906.7117 1669126.029 1159649.436 3119392.867 2505670.624 3869255.36 2038732.589 2985799.845 2198344.171 5353514.128 5197108.27 1645696.517 1173132.323 gamma-Coniceine 98946.45622 127245.0999 177064.316 199186.5813 186503.4122 116770.6027 153784.0098 112020.8081 133589.4413 137330.4253 169230.3832 177394.9781 215628.8706 3-Hydroxy-2-methyl-4-pyrone 35184670.2 114401343.1 95723232.87 116759993.5 59590523.27 80605768.41 59040207.66 131656794.2 84280502.7 31936018.94 27944679.66 58691128.93 47781654.87 Phloroglucinol 41159273.77 121243761.4 102050778.9 125268902.1 63417658.11 90541825.33 64778359.77 146524356.6 93845587.38 36715091.15 30284162.23 66288910.57 51476232.67 Thymine 4863926.061 11042680.82 8001082.487 29204086.87 90143751.7 46478844.61 32213589.67 19535858.84 21111520.58 55388957.58 11389323.28 15240477.85 14977260.68 5-Amino-4-imidazolecarboxyamide 436678.4841 945974.8512 822812.9744 360428.942 126794.8169 654723.8016 135884.2429 134817.9438 596847.7897 583242.0829 576594.9078 476747.1495 433914.1418 2-Aminopyridine 375106.0156 409439.5563 392701.383 940780.9138 936005.5287 1532238.917 1323434.834 1268575.046 1164021.914 2551325.79 868693.6494 3274195.14 2921443.16 3,4-Diaminopyridine 74390.64756 56348.7719 83218.66714 152053.0479 119379.3969 161783.2302 134704.1321 150678.3914 148670.0017 143601.9953 138686.7354 227010.1211 279939.6972 Serine 165637237.2 134356746.1 139229420.1 306439269.8 276953934.7 237177128 202371245.4 196870869.1 193809175.8 181757834.9 194591253 129307263 136522512.2 2-Oxosuccinamate 2245213.959 4461928.12 2621938.116 7003856.248 6109497.505 8416548.884 8322282.93 11072558.51 12987114.32 9300609.055 4798554.625 6233650.365 8823021.606 1-Piperideine-2-carboxylate 45355981.69 90161401.06 66326387.5 123878387 81584565.58 82656663.86 63868040.42 91517476.91 76199445.79 87692556.97 113391747.7 37519446.83 45738935.08 Guanidinopropionic acid 1107397.986 1553596.071 1881420.857 5754798.471 5240996.572 5585588.39 5054983.776 5381011.129 5445103.41 5889308.684 6007701.867 5484178.545 5789158.477 galegine 17901.93062 19049.19717 20447.66045 408369.1477 166113.558 1173193.864 1387225.474 1067815.479 1178392.981 2199173.534 3183983.721 3542447.24 2657143.953 L-Coniine 40515955.67 78481490.85 62457031.08 91901496.88 88070077.04 116128089.5 93122880.12 97096814.85 83561095.63 112715335.5 114893734.2 58042185.7 71129854.22 D-2-Amino-hexano-6-lactam 174169990.3 162249796.9 155641466.2 162919466.8 166401881 166475463.3 167424878.8 163489029.5 168082425.6 158202231.5 155009726.8 165483826.7 166796070.9 4-Piperidinecarboxamide 82504666.18 187086510.7 146557869.2 400983463.7 237297647.4 567238444.4 295253810.7 270388183.9 202863954.3 353989644 340993253 108683252.3 147654129 5-Oxo-L-proline 765022.0089 912633.3494 724520.315 2461673.031 2511988.523 2320709.113 2195005.653 2442380.3 2227833.011 2804898.753 2590328.926 2201283.359 1908340.489 L-Pyroglutamic acid 2102950756 2742262441 1851745592 748557365.3 790234865.6 672360692.4 619541722.4 635975669.3 588429639.6 720436029.1 722660559.2 1246492031 511977897.6 L-Lysine 19522444.83 22630206.16 23343805.02 44048425.44 42933386.94 61667100.41 46040285.25 39174185.6 42452468.92 49214435.39 59030417.74 36748423.15 36848811.59 4-Trimethylammoniobutanal 320098.0871 582381.1552 929437.5658 4780415.966 1901132.913 1086035.34 770227.6207 621437.8908 441825.6109 745883.5428 2716182.054 345207.0481 577997.9381 2,2-Dichloro-1,1-ethanediol 2702533.872 1658742.907 1369970.98 27638444.33 24865655.03 26002771.47 24398186.14 25638923.44 27123070.63 22589036.9 17137214.32 16909777.71 14916307.25 L-Glutamic acid 1298138061 2161740484 1278299697 1028443704 1006912266 568118121.4 523521021.9 486937898.1 508451624.2 234795843.6 409661151.2 529071537.3 471601476.2 (3R,4R)-3-Amino-1-hydroxy-4-methylpyrrolidin-2-one 311366.6189 355067.0049 390348.0662 1264906.917 784710.1872 1839654.864 2184027.49 1688355.571 1699585.218 2910233.028 2084726.935 4641152.167 3987122.578 Leucinamide 4787010.314 4378602.912 4662250.138 5136562.716 5393452.532 5370408.472 5315254.463 5474278.87 5359657.035 5539831.776 5289810.932 5480472.144 5491952.572 trichloroethyl 1950565.532 33477032.64 698199.6707 693390.5289 589883.6035 572627.1319 562275.328 582993.7644 578352.1097 17063296.98 645544.882 5938312.487 19752239.75 2-Chloroacetamide 118115.3997 244064.6278 198083.5184 291480.668 207124.3143 314702.5705 211998.4486 248532.0993 206326.533 320013.4215 390031.9023 138103.4223 162430.8895 [Similar to: Creatine; ΔMass: -0.0203 Da] 364946.9839 834848.9016 535111.3721 497880.2082 471750.2064 510592.9333 484991.1923 518026.7194 534271.0016 560906.4022 602019.533 543783.0741 578681.6941 5-Aminolevulinate 2873782.93 8784003.855 5759811.658 3645899.542 2122795.665 2025544.678 2092205.051 2685704.207 2068677.31 2340883.248 1969781.508 2166033.743 2094291.118 (S)-4-Amino-5-oxopentanoate 1480772.723 2608178.964 1758446.046 6690908.853 5282741.174 4405467.237 3435553.986 2614595.71 4563763.049 1523064.654 4700002.75 1335574.785 2858275.423 2-Amino-4-oxopentanoate 16272443.01 26725209.65 19210566.63 40828528.09 31751880.6 13041163.07 13749153.12 39217302.85 33343639.64 19981651.51 20041780.14 17691088.95 18229976.65 Dihydrouracil 531520950.4 1028610925 921432984.8 1608179856 1196985729 2390969085 1407459053 1763981939 1596690336 1783892757 1991959136 1033401733 1231194768 Creatine 62746933.65 90806061.43 77906954.72 188463404.2 176950327.7 249636695.9 171161648.7 218550261.8 183497830.2 221727126.8 270201136.4 143559726.4 162775736.7 3-Guanidinopropanoate 9457629.514 18413726.92 8864022.082 26562788.57 10726052.06 26470626.7 17847438.61 22749486.48 18993187.18 17051111.19 22767127.78 13518771.61 11789316.53 Isoleucine 3591186.812 57567767.46 40820881.31 36818983.03 40629779.67 39182172.34 42678219.9 59697008.42 5624198.602 39424930.17 41266713.71 10211429.45 10054892.99 L-Isoleucine 27363786.11 53115042.52 35133022.59 35829778.47 36574379 38823509.58 39300030.43 53211686.27 56343029.04 38131497.06 39188250.72 47520670.26 56604067.46 N-Carbamoylputrescine 3237409.353 3836621.056 2747862.685 6058848.942 5156284.212 5573442.064 4786183.214 2431252.349 5158566.43 4500235.503 4922010.46 3351418.194 3841265.851 4-Hydroxy-2-oxopentanoate 642914.0995 1491910.251 1336751.048 873623.4702 1574229.426 842102.1233 971935.9097 655003.554 964589.0799 1034572.312 1245337.432 325508.1572 358479.684 Glutarate 37975485.63 80504367.63 52115402.23 89292454.43 57292377.77 63168213.17 49967438.43 72165163.82 65361230.26 70378666.11 83206479.66 35664524.6 41543696.84 7-Methylhypoxanthine 48753.18155 75225.00545 175875.4661 3743747.173 1083221.137 295901.1134 307837.796 488208.8456 351919.5343 581676.9835 572401.5707 174066.1618 223994.0378 L-Asparagine 2183223.184 2360616.255 2289720.974 2521234.426 2562370.826 2503847.617 2591255.086 2532481.449 2591324.447 2643694.333 2494225.437 2672296.604 2672904.148 N,N′-Diethylthiourea 92424585.29 176145278.4 144495556 209514743.2 150096855.3 240664091.7 176599962.3 216003533.9 201372647.6 223692538.1 244510157.4 137984563.9 163007390.8 1,2,3,4-Tetrahydronaphthalene 23643923.32 36972469.18 35958644.04 71715270.82 56877902.18 57041827.02 52713254.17 55399219.44 49197745.55 54821379.87 37489110.51 37881258.01 40637974.49 1-Heptanethiol 3166643.769 2886216.369 2891963.054 3262319.468 3345523.084 3331229.005 3297017.336 3395659.128 3454938.934 3436321.164 3317665.658 3414086.645 3406622.01 D-(-)-Aspartic acid 1523133365 2196128695 1962607008 2444402500 2139567962 1503956085 1223803829 1931616970 1826373017 1757665738 1739366078 1300452825 1353230347 5-Hydroxyindole 5036795.203 14464315.65 11467177.66 103245454.1 67610860.74 17884158.3 15421362 30056589.79 26539198.34 40693487.84 49140192.34 12946857.68 14115601.9 4-methylthiobutanaldoxime 270797.9157 352686.4038 346819.8278 518497.609 441100.4819 546994.5196 487308.2597 492255.8135 471304.097 497048.4285 495689.897 512862.4339 534338.9239 2-Amino-4-methylsulfanylbutanal 419637.0379 1123041.977 779076.7094 2898092.125 1941508.466 7565209.464 6570262.519 1817963.956 7563378.443 2818409.613 1566746.495 2000164.404 5278833.318 N-Hydroxy-L-valine 18902334.78 29600130.81 33592162.68 69448564.92 69509827.11 51373369.63 56197573.27 61998830.42 49582806.02 69283679.5 81108776.33 25856025.09 34315935.49 Diisopropanolamine 5141812.211 13070056.89 12495318.33 24028884.42 21599262.34 19333690.19 14303078.16 14655890.41 15074701.51 16712453.79 18131099.09 16256699.41 16496248.94 Glyceraldehyde 70983704.94 106947219.3 222431728.1 209101761.3 173435472.5 190612259.9 631048616.3 1116672572 1963165121 150484347.3 174801576.1 7165635449 6746013575 Dihydroxyacetone 6240448.413 14522354.07 28833021.3 26918057.55 21014633.62 32783785.65 23305984.47 28511546.45 28994332.93 33065859.75 52655493.75 26837590.89 36782949.62 Lactic acid 223906811.8 333222054.3 502957858.2 1613120418 1856924857 2270358489 4437847851 2347198135 2595001715 2677180413 5725951101 4346243333 4840272184 Methoxyacetic acid 9408286.954 16752926.16 15591026.85 20104300.9 15673861.51 18290156.5 12880748.78 16531721.2 15773991.39 8101039.577 9890615.827 10874061.42 11841755.38 3-hydroxytridecanoic acid 52145.40603 48014.23129 56819.7989 51270.76178 48978.6471 50396.07153 49636.74386 47783.52764 46822.10244 47533.22997 46617.55007 45709.46836 47545.0832 1-Phenyl-1-propanone 86109.52028 80413.05153 93421.947 73564.27827 86479.44629 79362.78537 77225.24723 75221.77091 78121.08265 73747.72827 70915.48355 75233.46016 71099.03874 4-Hydroxybenzotriazole 2583434830 4271823711 3674661054 3299002096 2581860819 3881464191 3078878071 3255892205 3133276912 3628075869 3806260459 2356931412 2706696842 1-Hydroxybenzotriazole 97155.39649 139676.6951 217612.5362 153177.6498 199313.117 230252.6449 157660.1416 203295.2299 191939.5632 168036.2229 185494.4091 183476.8929 211367.0917 2-Hydroxymethylserine 863056.1332 1089548.282 941975.2885 2146343.865 2288880.964 861832.06 888479.2225 1032759.551 1604504.017 891700.6059 851962.4106 696604.7218 639592.4371 4-Aminobenzamidine 421786.7184 767575.6768 1438325.983 3727832.341 2419848.584 11534229.72 11289710.15 7946982.326 9856073.484 20901069.28 28184229.8 35950671.13 27210502.33 Amphetamine 5920155.906 11364420.55 9548888.789 12178146.32 14125766.46 15154879.44 9213867.891 11197290.77 8868866.213 19124396.84 12540493.06 6494906.309 9964555.555 Allopurinol 3753743936 6862666622 4451244017 5790956330 4026543404 3794322066 4194537393 4017801959 4058354446 7286609613 8013863219 2250489394 2977709719 1-Methylnicotinamide 81365593.38 215728044.6 164988162 379906321.9 245670255.3 134706096.2 104610407.2 139103260 125966093.2 165674619.2 172871454.2 60623406.39 61319396.27 Phenelzine 12620300.88 12461159.97 12885624.28 13749472.93 13717023.45 13243149.2 13771660.27 12908169.72 13178342.75 12800040.5 13018536.52 13662439.42 13536683.45 β-Myrcene 13728156.58 23513036 27038652.52 50707604.6 44525350.33 19399449.02 37296423.57 42936058.51 40827147.75 48883548.13 55490982.26 51377993.21 30045665.35 D-Proline 46390006.22 96203716.94 59067744.86 45672214.44 31089407.55 37534224.66 29264420.6 47152467.66 45827443.29 35879088.66 32664949.58 33071456.56 35277667.35 Anthranilic acid 24739258.47 81373074.79 61653961.91 36966657.04 66616130.86 20422473.76 39675430.35 65458194.33 54514848.31 42057325.85 47883405.57 32737543.8 38689792.7 Anthranilate 661164.0902 341450.368 447862.5275 653383.1704 1690534.096 1036003.675 693872.2348 977458.2477 1604454.009 435288.4536 445315.3959 380865.9836 200670.5562 6-Aminonicotinamide 382711.0274 504930.8012 630785.1375 535167.7039 443436.9521 513996.0265 530116.245 497854.4797 459194.7466 455180.0346 437549.1338 468471.9891 428200.391 2-Hydroxyphenethylamine 853971.9938 2727392.599 2001501.894 3916586.939 2170897.413 2261116.866 1427226.202 1834917.574 1560229.459 1952891.703 2225706.474 1496144.428 1828779.108 2,4,6-triaminotoluene 522312.2592 703440.979 572867.0366 2358253.005 1216504.629 5097928.028 5382398.628 3807365.329 4964431.401 10536694.46 14338201.33 16846376.44 13086219.3 Succinamide 9190486.553 23390434.66 22344386.67 10138413.56 9198109.231 9669057.135 8252374.572 8485087.431 7263165.976 8190749.607 5744650.982 1637626.594 7193962.645 Urocanic acid 11908320.99 35749669.82 26159184.66 33749929.78 24037705.03 15636111.31 13962083.47 15830276.42 15758007.73 27135138.31 30488194.4 10912513.73 12770703.36 ISOPROPYL METHYLPHOSPHONATE 918536.8557 6881463.53 4560126.292 1460067.913 3941843.251 3826164.375 874057.4635 990349.6083 896999.4757 1797315.099 3401419.627 588748.8413 607426.0962 5,7-Dihydro-4H-purin-8-ol 19955.09341 138772.2587 177600.6376 324638.9597 282002.7516 850581.0787 932182.5086 638975.2187 841001.8164 1642072.498 1856464.185 2662026.96 2145666.244 2-(4-Hydroxyphenyl)ethanol(Tyrosol) 1975754.892 1688328.736 1429862.084 3225885.656 3399789.658 1177692.339 1729285.831 3389734.819 1539860.629 1411488.8 3808710.925 1050752.403 1044534.284 2-Propylpyridine 238825966.9 233129603.3 249791207.8 258739779.1 263594887 256572499.1 264672845.1 251598687.9 260578793.3 246614800.4 245011625.6 254427097.9 254946374.4 1,9-Decadiene 4414315.849 6783678.546 8311923.776 14789307.09 11510607.1 10712807.92 13032410.55 12928426.23 11564024.64 13347593.94 16032726.86 8447161.77 11069453.77 Tramiprosate 277303.3987 322065.4618 281672.2504 348801.5838 313148.5517 355657.5269 336260.606 322272.2903 342347.1533 380594.3019 352673.0576 317861.6665 345318.1418 4-Mercapto-ethyl-pyridine 180100.7234 397280.0654 199717.9097 929147.7118 215503.4792 514543.6544 85259.37141 296809.7996 526972.8359 315348.2977 1680127.098 499532.2191 109175.7576 5-Aminopentanoate 306676506.6 194643100.2 162264006.5 180849602.1 187883329.3 178277426 240035387.6 425598315.9 519788102.2 198780580.7 226944478.7 798541155.3 668064563 Imidazotetrazine 290279059.2 197800480.3 159327697.7 178607735.5 180164597 177026982.2 231405686.3 403453514.3 482373422 201147319.9 226108586.5 655341750.9 595099302.8 Gabaculine 6075604.409 9669744.052 7048453.835 2506305.609 1985905.46 7490582.131 3867675.414 1637166.373 2324660.474 1538064.158 2370457.284 1032535.78 1275002.539 Histidinal 2826853462 5573817085 4236979787 5170842732 3902691025 6145120325 3421925555 6618561674 6100546087 5691619020 6095718719 4458333423 4466535519 Tropinone 17687348.47 37445299.06 40396786.43 68374911.56 73051970.25 86580474.12 34970800.67 79927129.67 63317684.61 66682653.52 43919425.53 27420021.98 31208255.35 Decanoylcholine 6610458.652 8762401.243 9928652.987 15277062.29 20252216.97 19223424.23 15496711.15 12226561.36 10670877.56 19644689.4 23945717.85 7566540.93 11579820.12 N,N-Dimethylhistamine 36273.40992 40068.72794 47928.45453 195546.4871 132862.44 903555.657 940156.6303 723122.2874 642215.5137 1480180.792 2259209.549 3105950.854 2525767.611 quinolizidine 350452.3437 1260873.875 1117860.304 2200745.112 1506066.505 3576222.05 1798906.761 1962574.357 1441108.197 2297453.366 2646962.092 1101524.881 1386067.435 2-Amino-1,5-dihydro-4H-imidazol-4-one 5533500.473 4539607.519 5316388.621 6838110.006 2967259.826 3475069.292 7718535.932 9298539.012 6132180.752 5219968.033 6702405.526 5990882.784 8599281.059 3-AMINO-5-TERT-BUTYLISOXAZOLE 507368.923 1050836.047 1319069.555 3494403.724 2852368.125 3516708.515 2839256.12 2748657.807 2602239.091 3198203.368 4228550.513 3196419.863 3260647.481 1beta-Methylcarbapenem 2698371.449 1764954.125 3690549.68 9952302.748 6172342.402 6292080.703 7009326.247 7391029.889 12456592.19 1604907.264 8854239.782 7524907.642 6574295.856 1-Methyl 2-galloylgalactarate 24249.24014 25971.93217 26040.66576 67297.87002 35176.21029 103623.0842 28974.07484 33612.11824 30421.32739 102895.4856 340220.2722 358948.4493 299393.8391 2,2'-BIPYRROLIDINE 41316.77142 55474.33469 49926.83452 55517.20946 60104.43628 60807.11692 70938.2448 92330.73406 73574.83094 60492.57745 63557.47218 160842.0397 57566.29052 (1R)-1-Amino-2-sulfanylethanesulfinic acid 549737.9858 709777.7921 677349.1952 14344970.67 4716121.228 7898517.456 7118253.25 5183429.335 15183436.53 3884502.463 3372446.921 6026501.632 3557462.28 6-Oxo-1,4,5,6-tetrahydronicotinate 10502814.19 19471522.55 14516038.77 18056345.95 15838825.17 15229351.17 14300867.6 22960855.34 21873882.67 17436529.91 16613905.46 15598122.97 15633166.48 L-Hypoglycin 3834762.086 4567180.269 5266106.668 10892118.16 17592501.9 8693696.251 21858530.04 12765626.79 12116784.24 14133801.14 10918708.46 4510819.304 3762585.519 Histidinol 832601.0963 1286356.313 1519870.98 4091262.129 3417935.753 13821541.61 13687228.1 8616418.175 9984498.309 24683238.97 33031793.01 37890291.66 30647638.67 Hygrine 591858.8504 781403.4965 933484.2156 2557606.598 2040521.942 2011731.949 1995856.189 1475264.904 1801401.711 1501421.613 1582584.57 1317997.676 1372666.465 (+)-N-Methylconiine 37225.1885 37423.87315 35757.76597 76678.8522 56802.70651 37290.80532 121979.3666 39609.13169 104934.9229 32760.99173 35333.75295 74978.92438 33025.2921 2,5-Diamino-4,5-diketopyrimidine 44340.88526 45151.73191 45998.43318 52254.6795 48778.99969 49733.00674 48697.90793 48646.39495 47601.13965 47450.50136 47831.66529 46518.64852 43419.59399 Ectoine 2421633.558 2264896.025 2482372.599 2733365.037 2808434.374 2731515.263 2830058.801 2798420.704 2833270.288 2911713.342 2723233.005 2918027.449 2924140.099 1-ACETYL-4-METHYLPIPERAZINE 3864573.487 2656718.687 4165332.752 2603636.974 11448668.16 4682797.791 7806180.869 8172258.608 6745335.817 10103473.07 3823724.828 2774810.964 2780623.606 DIMETHYLHYDRAZONE METHYLISOBUTYLKETONE 16491953.22 13306931.1 17838271.55 8079196.477 8722199.758 8594947.61 8963032.432 9606350.226 10360516.77 10276220.9 11075950.2 11332867.9 11432441.15 methoprolol 851813.9102 2295570.803 859177.9534 2831952.598 1282426.377 1201026.109 2117261.193 3681376.166 3089632.187 1905768.989 1278038.245 1165016.257 891452.3584 L-Stachydrine 2086124.566 1908145.273 2015222.541 2272192.013 2350405.177 2340362.838 2315368.681 2385628.374 2335677.485 2414195.584 2305239.348 2367934.266 2391368.379 Stachydrine 3700883.972 4491090.833 19996532.82 4085167.092 2958175.503 3842942.124 2878949.553 3533538.2 50169597.11 3449406.667 5259717.247 2345364.917 2463337.89 Valpromide 5048012.93 7498453.574 8171698.531 17185249.48 8104207.669 23051523.37 11060494.83 14201376.53 12615542.82 26361754.53 20947703.84 6629625.025 10582558.21 1,1,2-Trichloropropene 819362.2948 5471789.968 1039812.821 1032650.675 878500.1758 852800.5069 837383.8019 868239.2959 861326.5856 14397586.92 961395.2465 6432739.222 3801125.365 Ethephon 18377908.4 24136482.91 12901142.95 192283251.3 117512884.2 88914197.75 105775312.2 139212700.1 183266240.3 137208476.3 88541242.45 89389360.1 148900783.6 D-sedoheptulose-1,7-bisphosphate 10034679.38 4618581.731 3498206.792 26781887.81 23912984.38 18715596.77 20721473.93 21042652.58 23465052.64 14612788.8 16371788.32 16815207.31 11865589.35 (R)-3-Methylitaconate 7066000.703 11266303.96 17860470.54 4241662.112 2716464.472 1676071.059 3029589.033 6193563.494 9126150.989 2991917.591 1766499.165 7384255.615 8452656.932 3-HYDROXYMETHYL-2,5-PIPERAZINEDIONE 535088.581 311181.8777 374979.7237 307003.8451 335333.4282 268130.7019 283529.8514 303359.3864 383196.9711 340507.2704 296307.591 362421.9086 265803.0683 Isovalerylurea 56018.63931 170573.1571 149217.4852 927714.5848 554747.1442 1000630.936 1154672.717 340330.6385 1555619.147 1597293.492 1861129.904 1742530.845 1328771.666 L-isoglutamine 2669886.656 2948693.188 3392660.625 2720615.332 2698902.153 2559491.013 2432377.03 2432880.8 2354559.363 2469213.924 2386756.286 2344408.791 2331212.524 4-Guanidinobutanamide 2998948.005 2761135.242 2952889.406 4743103.052 3375834.323 12339328.95 3463225.306 3437051.444 3394600.034 4093738.571 8209367.157 3471119.664 3478390.924 N-Acetylcadaverine 2707389.143 4871903.957 5830536.813 16830729.09 15589873.41 14403618.16 11982266.75 11410593.26 12884237.72 16459108.66 18105659.56 11002756.95 9201860.507 1-8-diaminooctane 203819.8506 262979.5272 247624.7847 252167.1001 207439.9615 273593.4944 240489.5464 251298.4372 249751.3306 281819.369 301776.8854 215340.4171 235900.3655 N,N,N',N'-TETRAMETHYL-1,3-DIAMINOBUTANE 143541.9142 234055.112 210660.89 255324.6719 227436.1969 323155.0671 228656.453 260177.508 228286.4223 305481.2161 366259.693 132798.6117 131975.9858 (S)-2-Amino-6-oxohexanoate 552934.5331 1242089.009 1833527.186 5750913.829 6083101.63 11904931.05 7198348.539 7045047.131 7574022.889 6528455.145 5911496.266 8480233.65 7743691.821 4-Guanidinobutanoate 296661.1315 409516.3625 186473.1749 249089.9553 413357.932 776513.0096 622935.8977 512910.0002 303161.4215 805488.1174 1547955.579 270834.9094 425356.5052 3-Dehydroxycarnitine 13380423.24 20406195.44 17980980.27 24224115.76 19060026.41 26854688.99 21118458.25 22372422.55 42959988.83 23895936.56 26404033.92 15576881.43 22229921.14 Acetylcholine 99087391.98 181952796.4 142382483 100156919.7 74983763.37 116909673.2 93068021.23 107500791.5 100217716.3 121406505.8 114658741.7 83202978.83 91000444.22 4-(3-Hydroxypropyl)morpholine 3732633842 4939675522 5810339821 6342427174 6411732730 8517899874 7299633137 69470776.88 5410742903 124123871.5 6510757088 4794329216 5864904702 2-Methyl-4-heptanone 19503.61997 18282.46097 20506.39168 465180.697 415255.6685 142392.8053 180031.8665 220515.0272 427451.2072 374520.3121 776861.9978 398883.9707 469031.8249 Spermidine 26261370.78 100013645.4 156253070 429230866.7 558926903 655139817.5 325245248.8 352750097.3 309082521.2 486402383.4 610404380.5 39995289.35 77614366.68 2-Oxoglutarate 86880.70214 127496.1484 117065.7793 431621.9351 1756107.749 433627.8498 654110.3038 383188.9549 3064648.718 305366.786 3350680.904 200284.9262 855474.2372 L-Glutamine 2871759939 4153829516 3082131893 2332033803 2128315729 2043082619 1605740813 1789307479 1635057485 2096712283 2086789754 1318712674 1355814967 Ureidoisobutyric acid 837396153.7 652001547.1 784172218.9 2310003784 1321715896 1640109244 1800199404 1807726731 2003688783 2149621364 2532685307 1847486517 1677385005 Benzylidenacetone 63168736.38 123400775.5 85915091.36 27391652.8 36152140.36 24324162.75 17015578.25 15995519.54 83189410.53 15791533.7 26405062.77 12676479.02 112359908.7 4-Phenyl-3-buten-2-one 7095242.107 11019029.14 11316087.28 16206808.34 15182488.04 16708597.54 12508570.27 12642995.65 10456224.77 14267298.26 19019362.75 10673168.38 9347273.17 L(-)-Pipecolinic acid 166568834.8 201069545 173874667 455271416.4 404384319.8 605834292.7 509873591.9 425125846.8 406436619.9 518005844.2 584057812.8 338105104.3 383563600.6 2-Methylthiazolidine-4-carboxylic acid 80467.61021 83719.04995 78916.12019 710040.7045 210401.5619 227865.6313 140554.6143 209325.4488 132917.7906 206022.0682 599197.241 175099.1381 107953.2686 5,6-Dimethylbenzotriazole 33372.14263 73622.46388 60418.02296 191329.4577 99025.89364 541858.8359 431538.0859 323813.8749 426454.318 867808.3374 1112706.223 1558494.885 1252418.775 1-Methyl-1,2,3,4-tetrahydroisoquinoline 1206810.916 2377310.766 1566196.063 4444835.675 3264941.371 4110220.801 3382865.682 2882213.856 2796221.519 3604992.353 5685772.407 2292556.407 1539433.104 hepta-2,5-dienoic acid 715205.4047 944570.2694 423839.4789 3049264.784 1091444.982 2023261.913 895570.7452 2168028.483 2037321.88 3466494.675 2616796.368 1357782.429 1827324.539 trans-Cinnamate 25357095.64 33163290.41 40748593.67 63282248.51 60237409.72 72497721.2 84310023.12 58831007.54 66887685.32 76702772.54 78252758.02 69569450.02 72761075.73 L-Phenylalanine 83036233.96 185110866.1 115604432.1 147615053.1 109531166.6 162541652.4 130258405.9 126076583.4 121556768.3 113674350.2 134687654 61851335.88 76245220.8 Ethyl 3-(Methylthio)propionate 33082525.59 41512160.31 8369605.052 123576945.8 72354393.82 91596211.01 54164218.26 76978237.47 69880303.55 81620311.19 75945822.11 71780504.29 55169013.72 N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMIDE 17360.68993 19262.67491 30932.54027 162785.2824 106670.9762 453490.7613 74291.587 124387.2141 217525.502 69072.53235 40895.96959 103759.3992 179746.9876 Pyruvic acid 31448.64075 39021.97036 43535.21282 57163.48999 54605.46677 55158.88474 51098.64437 52365.0497 53514.68941 63599.23741 63229.82827 59760.91831 75157.25875 Leucylleucine methyl ester 29171.64906 28793.06539 31853.36333 29007.0762 30031.18109 27012.96253 26375.91867 28972.86522 26794.0887 26721.6967 26793.48056 28009.17266 28460.56497 p-Cumic aldehyde 10699279.05 15171127.33 16362224.68 12646812.71 22279791.62 20055449.15 19937929.08 13785285.2 19769534.46 17867491.57 29347507.85 16481785.86 17843004.12 L-(-)-Methionine 1655063.412 1634194.642 1653449.323 1594406.06 1651469.498 1669722.071 1626119.278 1633914.274 1615076.1 1708926.49 1759999.565 1739383.172 1708990.301 L-Methionine 1740707.284 3195935.682 3118647.175 2608568.987 2567118.979 3098339.617 2163402.026 2750645.654 2667772.626 3246706.247 3518239.79 2188688.885 3186566.495 N-Palmitoyl Cysteine 187283.4694 315184.7326 1308422.793 1737763.861 1711992.58 1712919.401 1264419.744 1379377.615 1696972.027 2207418.113 2606453.843 1436308.502 1913643.266 N,N-Dihydroxy-L-valine 488258.6292 833900.4451 949623.3818 1314384.907 1014923.324 1354449.637 1179927.39 1374724.783 1433385.393 1264439.842 2604122.704 378361.6273 1935974.742 D-Cathinone 1181065.442 998924.329 968033.0642 751629.373 523292.2687 2064296.299 1118076.694 5600480.448 1266917.638 1190046.824 1316981.863 1288195.99 1151787.495 1-Benzylguanidine 130323.9017 139487.9631 220070.4233 154096.4945 161113.6508 2115545.989 2281340.798 877978.3759 674810.7808 2329336.324 3741964.93 3907975.261 3803891.767 2,6-Diethylaniline 6454683.398 6891197.823 7638458.306 16634260.28 8609939.511 16915653.04 13122031.09 8509317.603 12598290.76 6655321.795 14535013.36 5258426.705 13417524.24 Phentermine 1367858.841 2013230.046 1466707.068 1700736.896 2645004.053 2435920.724 2129720.193 2715758.732 2121223.249 3126116.593 3351299.768 1114962.942 1099116.321 N-BUTYLANILINE 4986340.739 6597220.793 5998418.306 9157157.835 7899519.609 10337423.76 7724692.186 8311434.337 7511918.284 9452944.114 11365614.54 4628476.155 5782231.598 2,2,3,3,3-Pentafluoro-1-propanol 18986398.13 38185483.78 35698263.35 19857885.97 12294731.31 21310978.08 12383815.69 13476969.17 13759381.05 16885592.6 19682119.5 6673082.42 7450780.765 TRIETHYLENE GLYCOL 930946.0455 652354.287 472694.9023 940344.5848 1052931.683 798778.5645 919763.456 914233.2121 758715.5571 825542.2218 664545.2048 732863.4566 614244.1421 4-CYCLOHEXENYL-3-METHYLBUTENE 15012824.75 27923524.8 26677231.75 50890300.78 41947675.35 48704903.42 38819880.7 47588061.1 34124383.5 50847864.86 63149123.61 29678072.37 28748891.66 Guanine 1137207.799 1072880.343 1165731.07 1283598.019 1318850.849 1342796.253 1329005.757 1368767.607 1340108.005 1385158.203 1286521.298 1370316.15 1373186.672 N-Methylanthranilate 1967569.394 858348.1588 1261473.979 193178.9953 376049.7085 175568.0058 229251.0882 1028447.931 1335805.8 630317.7588 235279.8065 1441754.829 1678871.739 Imidazole-4-acetaldehyde 519067.9687 598540.9937 1354574.388 1938604.088 1350260.915 3031849.594 4214312.331 3500053.985 3975493.993 6611371.515 7902321.995 10060902.83 8125517.352 4-Aminobenzohydrazide 253857.1425 321635.9277 177317.3957 160189.1881 134228.1796 157384.7009 109935.3202 128683.3753 125955.278 163368.442 99742.72262 124498.3198 135439.4727 N-Methylphenylethanolamine 198152.053 223565.3678 291321.6347 504585.0252 473058.3076 505213.8908 462665.1226 505502.4169 501828.0949 509394.1316 534127.5538 513100.7098 481907.6063 Amantadine 316766.468 317531.2925 424988.4412 617982.9875 611926.4892 609301.4527 442762.5927 440272.254 558909.6807 489608.343 394321.5083 330817.1758 431473.657 Glycolic acid 265948.7456 780361.7913 613549.2511 423149.9925 365734.8404 584104.5746 486354.0794 468302.8381 473265.8765 907983.1271 521217.0414 421164.2158 464901.3657 2,2-Dichloro-1,1,1-trifluoroethane 4689785.949 23604616.5 43370516.99 23782573.85 18868868.78 11641771.26 27944325.55 36293284.05 37936420.9 12787413.12 7327010.909 66842179.22 71531929.25 3-Mercapto-2-mercaptomethylpropanoate 18282937.82 34769416.87 29740049.72 39440192.41 31263893.69 50036182.77 36035590.31 38725228.05 38349279.27 47135721.32 54056951.16 22945808.03 27332040.14 Xanthine 98153096.1 197750509.6 112760341.5 105523936.2 65243526.19 76595383.81 86009705.69 86055616 87484437.06 147058857.2 167812160 54538971.31 77980185.76 1-Methylhistidine 37281355.67 257689545.9 222676215.4 215131757.6 86718374.2 281104131 187334035.3 203553527.7 199431813.4 134526416.3 167097256 61371840.66 151829233.8 indole-3-acetyl-leucine 811429.4888 731248.6394 595909.8462 490538.4482 593798.0574 656855.0827 675067.4203 521216.7543 536549.5425 466973.1631 602070.9787 539291.7627 485516.2637 Phenylacetaldehyde 21024342.47 32196513.99 65251728.81 152817827.9 63310860.08 47498265.55 43605803.39 99834121.67 91543269.35 122840011.1 65919500.54 34844591.02 34861373.99 5-METHYL-2-BUTYRYLFURAN 3805638.325 5587339.437 2356247.034 5583769.267 7181941.574 4663451.555 3457420.612 3685281.379 4375404.458 2942554.864 4165320.911 2965781.139 4341069.822 3-(4-Hydroxyphenyl)-1-propanol 813578.1167 1358310.485 649729.646 2132601.107 2088170.596 2156361.028 1968929.305 1991323.3 1921453.031 1759634.244 1826866.891 1852635.171 1612959.449 Glycerol 48107.85558 27153.07504 38362.80772 47488.19209 37180.46934 256381.4797 343988.7367 163017.703 111365.1917 1236008.689 3303045.692 62856.13839 974687.0639 Succinyl chloride 4452996.069 4294604.505 11467294.62 4500376.988 4480663.544 4495343.174 4425998.418 4564690.902 4485931.526 5884142.435 4643072.47 4720324.472 9629845.123 Dopamine 7801519.203 1876690.902 1251016.585 2103177.96 1733730.428 1888690.978 2548679.132 6112651.057 3478761.161 3811899.062 2636806.976 6044887.717 7960284.62 1-[2-(1H-Imidazol-4-yl)ethyl]guanidine 12749971.76 11273964.09 8275845.798 17233843.51 11312387.74 18627633.54 13782351.85 15293375.79 14369584.62 19851899.71 20703786.5 14733199.51 13039809.42 2-Azaspiro[4.5]decan-3-one 4828452.19 7655048.395 7593281.434 11213689.48 9227753.595 15548845.99 10071009.78 10271532.5 9881037.879 14253481.72 12067927.76 5600098.042 8060014.339 Decanenitrile 116875.3819 117792.5866 158423.7675 160833.2662 204948.1429 167338.1103 158489.7978 158132.3463 148151.0268 184136.8494 117893.9568 173093.8464 143057.3775 Propanoyl phosphate 221301.674 257023.9895 224832.9115 291410.5711 262280.3653 315749.8247 268226.5281 277025.4699 273209.7712 318287.21 281450.3478 270581.5661 275220.5298 Acipimox 185352624.9 303576225.6 271652619.6 444602402.6 355547085 343269865.9 246262223.7 280273497.4 263314182.7 274233756 298524791.9 137841304.7 154569475.7 Ureidopropionic acid 25168215.75 37598501.56 36350047.6 124314500.2 105056379.2 104401197 81529072.02 91305248.88 89325241.13 88862690.84 98507134.17 52298701.69 60476403.55 3-Ureidopropionic acid 164978300.8 274665564.5 240234779.2 314814656 230684464.9 214460180.1 152292478.5 176815558.1 163716679.2 165615825 177260740.3 87475024.24 95779364.51 Hydroxytyrosol 876644.0794 265068.236 195594.2423 358603.2183 213779.7801 220060.2375 297340.3251 215879.8954 724944.1821 169626.6748 252460.8408 165839.1156 191051.4712 6-n-Propyluracil 122209.7851 133449.1923 99617.99842 204533.8688 242955.0874 205614.4084 216141.2488 238223.0532 214754.3528 191004.6516 201189.7701 253394.7057 228603.4515 Histidine 1245147.349 2390553.798 1979695.474 2197293.431 1772080.07 14461171.02 14964641.35 6662571.039 22062338.29 19311703.81 39491305.06 36542766.5 33781040.62 2-Nonenal, 4-oxo- 965285772.6 2704638509 2185691768 4207346475 2002095901 2551476103 1601060447 2666339359 2942496066 4820892106 5424638406 933199562.1 2309636560 Milameline 18319238.77 18157272.06 17987345 20406749.38 20651331.83 20923458.01 20873128.46 19958991.84 20954399.16 19815417.46 19107023.15 20280183.32 20250550.76 Guancidine 164217.8847 154916.2827 196366.4577 69486.61215 82096.10599 69653.31376 60418.58505 78138.48822 75162.47705 118276.7006 123477.1643 120923.8437 108591.1542 (3R)-Linalool 150472.1475 386549.8844 431442.3831 288152.8839 434974.6971 370311.7098 713820.3573 427909.7114 298442.1735 188695.4958 361105.8272 291051.1379 302627.7015 Pyrrole, 2-pentyl 4108356.746 4573167.349 3504243.197 5659889.151 7391550.867 8275394.678 9245713.51 6303873.234 5021200.426 4907212.192 5840048.085 5008745.361 3990989.298 [Similar to: DMH; ΔMass: -246.1176 Da] 558339135.4 1468314667 1485532774 1427612692 1000720326 821478301.1 490666733.8 1072176296 1004018282 1113594496 1208707390 532803849.7 564459390.7 (R)-1-Amino-2-propanol O-2-phosphate 4896097.259 901450.8861 882131.5658 971732.0625 1010534.328 1007202.842 956106.8326 940215.6348 954040.9622 1049624.263 1036205.282 9532191.146 4834523.933 methoxycatecholamine 526610.0221 1215024.231 1096455.578 1552893.297 1162675.353 868012.3735 891097.4059 1257244.167 4996213.447 3978058.695 1303238.257 814123.2319 834937.6695 L-Histidine 4537809.445 43297240.42 32215841.67 16791284.78 7516361.086 7957443.486 3269160.208 12447516.7 9377935.56 9884469.09 14480988.94 2799964.943 3059588.364 2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid 2212857.593 4142850 4231331.659 5895270.707 4753743.76 3510279.102 3145310.898 3324291.321 3014725.352 3226342.048 5054583.887 1958299.111 2369056.328 2,2,6,6-TETRAMETHYL-4-PIPERIDONE 5247516.519 8491927.401 6581115.398 11662795.69 8345713.759 15058037.45 8283127.441 12239000.28 7254196.814 15068960.56 11660033 7474221.068 9753416.514 Propylhexedrine 7901.794058 14799.24515 11946.54556 16407.29774 13891.05345 20801.9512 16723.44765 14961.73974 14643.2608 19141.95905 22900.96165 21727.67052 17068.61064 2-Phosphoglycolate 1462704.785 3495809.663 2949529.68 2637271.067 2002796.467 2849567.84 2004861.657 2833694.266 3228826.758 3834938.612 3913623.441 2288634.21 5172352.13 2,5-Furandicarboxylic acid 195887.005 319883.8963 459880.3535 483165.946 277726.5899 421302.6232 512239.0715 513979.0319 335286.8434 406404.7714 336337.1413 466818.4709 529305.6084 Pyrazine diazohydroxide 473409.904 481501.3399 606030.3746 821925.3458 816933.9603 791558.9684 927973.0627 1185744.955 1703887.117 1509431.1 1835687.026 2132835.86 2844963.134 4,4'-Bipyridine 10471275.17 36414697.52 22602680.96 6538058.778 4508505.564 8065922.755 5052405.311 4308693.138 4149078.334 8648232.522 8814995.121 2122362.729 3010804.351 (2-Ethylcrotonoyl)urea 5952350.737 11816715.72 10655770.65 14136532.78 10818990.21 13477265.38 10972650.81 10543096.7 8970851.75 9135922.188 17380065.99 5683988.572 8602973.764 DELTA-NONALACTONE 470509.5792 585338.5682 861690.3205 1114078.397 1394640.005 1418864.324 1349638.047 1466663.269 1120883.499 1086181.002 1139070.99 947289.3577 870425.9306 N-(3-(Dimethylamino)propyl)acrylamide 836610.9377 799134.9516 431550.8245 694502.0293 394947.7255 664475.6592 646314.6587 706231.6427 750068.2658 808051.2604 971653.4751 923260.7756 702723.2458 N-(3-AMINOPROPYL)CYCLOHEXYLAMINE 2484198.786 5197323.204 6642221.706 7007517.218 6113128.135 7393745.446 9790819.583 5735395.62 6691030.035 7772952.649 7045510.812 5577566.298 5694789.586 1,4-Dihydropyridine 34378791.45 73558759.97 76746059.54 28972343.62 22234017.81 31426604.49 22987366.63 32944750.36 41268464.79 64425414.05 59722394.7 44216941.92 40288039 5-CHLORO-2-DIMETHYLAMINOPYRIMIDINE 114593505.2 329965378.5 255878901.5 189338772 128447640.6 114689245.4 87066246.83 139811125.4 129971344.9 131932642.4 147681115.1 85704439.91 102179674.4 N-Methylbenzylamine Hydrochloride 67006.29889 99041.62563 79605.81526 97456.4137 91051.82753 95793.02978 88936.76431 90431.49082 87761.11824 97665.30143 110025.0444 82186.39565 84026.51391 L-Citrulline 4196819.818 4817562.791 4886697.503 3349424.76 3441616.352 2980665.497 17377128.54 9449153.214 9662899.919 25311448.69 44531294.01 41888163.75 37684767.04 Tranexamic Acid 2581877.263 4855225.796 4349795.935 10919717.71 6295717.304 11482576.12 5382030.699 8988945.866 7957673.117 11129287.15 9214252.098 4073328.451 6387012.424 2,2,6,6-Tetramethyl-4-piperidinol 2602469.863 2367385.481 2323762.385 2681099.839 2749059.774 2671337.383 2645572.538 2629548.454 2657165.709 2758915.098 2688947.098 2805827.953 2642532.756 N-Nitrosodibutylamine 5634993.49 9852483.858 11697085.63 7502267.446 8584040.38 8531055.704 7558262.995 7069604.857 6607052.196 7766379.282 5841057.404 6263021.665 4368898.367 Bromine 6173609.41 14874639.57 4989920.538 5077184.112 8499515.311 15448834.21 10163973.74 12366374.57 11037052.13 11187400.14 11944900.86 5885678.793 7071012.837 PFCA-perfluoroalkyl_Hsubstituted_1DB; C4H2F4O2 1548433.313 1623491.432 1873438.625 1877771.854 1897321.714 1931661.117 2042189.185 1849816.452 1920893.931 1920831.75 1908530.58 2138645.044 2087311.209 (S)-(+)-Allantoin 135253061.6 361614672.2 287840697.3 228366883.8 136542264.9 50551585.69 92934579.07 152690157.3 89253903.81 71528352.89 89757470.65 101530231.8 121523385.6 Oxiracetam 560429705.7 1065778864 796300096.5 236549309.2 552023882.4 478529706.4 404579276.8 298849118.4 609884618.6 308568642.4 598153134.3 491437613.2 515403108 1-Benzylimidazole 235330.3344 503348.6435 355072.3792 642327.4382 322898.1859 705652.9716 446000.7547 275346.5929 220610.1186 427518.5129 539281.1148 241532.053 249208.5778 1-Phenyl-1-cyclohexene 136372204.9 209878542.1 168481521.4 258741169.3 177797407.8 436741607.7 194086561.8 324472992.7 58364129.63 488827905.1 466154086.1 133237429 198436819.5 Nonanoicacid 23123816.82 45329574.3 40869121.76 92736487.21 71290367.69 86967976.72 63693031.36 75819626.73 60532160.07 68871315.65 94375425 43111394.07 47846748.14 Monopropionylcadaverine 779038.3537 1260617.498 1057739.745 2679999.329 2504616.605 1200633.371 2503130.382 2095487.354 1683824.096 2497387.11 2338317.484 485785.7715 1463920.387 IODOETHANE (2,2,2-D3) 636157.5914 641608.5144 434399.0527 753280.5814 679046.029 826116.2909 1080992.078 1535013.543 1300953.7 1835466.868 1840729.684 1382367.423 1243735.561 4-amino-2-methyl-5-diphosphomethylpyrimidine 269351.8772 454461.8937 386214.2567 714147.7026 5015159.998 416793.348 1545256.82 758144.7289 5117395.463 392005.6636 444618.7317 317354.5852 337548.1314 3-Methyl-quinolin-2-ol 8214702.009 18634975.21 15400729.92 7239997.608 5820535.441 8547835.345 7010557.487 7917642.999 6375250.077 9092996.536 10051450.03 4757229.451 5766487.457 5-Acetamidovalerate 22504451.2 28325994.74 23203428.01 16212907.92 17562615.07 22149283.95 22497150.34 23793886.17 20195329.46 21079158.7 21552740.3 30690401.06 34224697.32 8-Aminooctanoic acid 2366884970 2790026129 2974547035 3860433427 4352251496 4089645528 3393859167 3401789812 2496499367 3189203827 3662603841 2924050948 2142714726 L-2-Aminooctanoic acid 2742239.805 3215195.413 3860184.733 2437011.05 5321141.45 4570450.984 10683146.01 11519793.25 21761140.13 5525601.414 3256918.601 328202707.3 166171125.8 Acetyl-β-methylcholine 52859443.49 14114285.75 43084707.74 10641525.74 59685323.98 21093226.02 251003271.3 278005473.6 636933348.2 92234867.55 25772510.01 932848214.8 1029908577 Aminopropylcadaverine 333908.5654 441082.4896 364900.2465 427840.7497 405827.8757 410134.4419 376086.9496 365271.3035 360974.9681 459322.5064 481478.8098 341434.001 339400.2906 1,1,1-Trichloroacetone 181740.7228 2734169.613 187345.5395 187571.2166 178866.7686 169678.3184 168587.194 180336.9932 164491.752 714915.1365 187189.3001 152649.4622 156017.3438 Hydralazine 172110.4992 222263.9128 203559.3411 155016.5771 165027.6205 167357.1129 151899.5022 160730.6444 148827.1663 159030.1135 158313.75 157227.7461 166085.2056 6-Oxopiperidine-2-carboxylic acid 9126010.746 19408970.48 14238209.82 23678930.76 18614124.81 22731307.21 14837874.35 21483877.7 20711376.33 22528097.25 25685423.25 12535135.38 12294096.48 D-Alanyl-D-alanine 257295.4143 1426086.379 1285261.562 1882466.527 1204669.378 1862997.785 1401400.144 1016813.802 1538452.629 455863.7627 878626.2604 747176.3592 1625182.962 Emeriamine 93534216.15 187510838.7 158162576.2 287233674.3 233835007.2 280124921.4 216759185.6 195591504 185509349.5 243210556.3 262998249.2 112322602.9 128099632.1 N(6)-Methyllysine 140378801.3 280414405.8 235499323.4 340038629.2 276036443.7 332829161.4 254456827.2 224223696 211784921.6 273720484.7 296310730.7 124634372.9 141249205.4 3-Amino-2,3-dideoxy-scyllo-inosose 2537495.894 1764282.514 1483859.12 1434735.723 2839776.615 3822758.218 2667240.826 2823499.57 3914065.315 2502190.535 3266101.928 2241690.15 2697531.689 fenamole 21459.21982 23186.19861 76018.22944 193165.0512 141415.3146 785971.6613 736472.2869 582292.2754 713795.2601 1350792.884 1782932.409 2261732.806 1871716.619 L(-)-Carnitine 432807660.9 575541113 507306103.3 723115775.3 530961720.3 587674449 380210302 432870614.4 729476768 560877350.9 564323498.7 430153815.1 490935429.4 D-Carnitine 2805740.257 2670961.212 2667098.727 5149766.559 5491676.718 5592637.743 5765548.765 5882014.648 6869089.279 3576855.78 4164417.208 4432500.091 4054461.932 (S)-Carnitine 2387082.884 2510087.193 2646007.81 3060869.689 3242409.513 3133536.805 2975112.884 3214979.867 3126854.924 2867422.254 3001202.855 2648017.744 2954049.576 WY2675000 28851.91853 425339.5439 39944.24413 47781.71341 41315.28033 66674.38515 56067.69008 49795.62361 51329.09376 56732.95674 68103.60857 54815.55484 56216.03229 Phosphoroselenoic acid 31048.95593 47973.186 48296.44188 65155.91887 52720.89023 95748.1097 76418.28639 59932.80126 60724.30805 92754.7187 98057.96883 100045.6986 95402.57033 2-Pentanone 27407.85408 36759.57157 49756.05674 422230.9707 382356.7422 577082.5667 561801.9896 569861.7587 593726.0338 894363.2547 873686.7919 734346.2185 492987.7798 NP-019636 53640999.3 92803409.43 90103730.23 154004407.4 141027642.2 154015410.5 119006079.7 119997067.3 104918054.9 146361568.8 176098514.7 93150110.08 85893752.5 (S)-2-Hydroxymethylglutarate 2984246.499 9744135.92 7574198.269 1954492.131 1221487.979 2105746.609 1579407.811 4384405.97 3635509.012 2808537.464 2365155.985 3471688.59 10949327.25 Glutamine hydroxamate 2428876.95 4767615.786 4387717.36 5200220.202 4892617.055 4726114.064 4604124.098 5017956.416 5351108.516 4708351.841 5389967.503 4194429.132 4034543.92 cis-Naphthalene dihydrodiol 1128115.056 1103067.693 529147.5251 1793298.552 1863353.9 856471 1215660.697 1482981.453 946689.3984 661238.4286 2359075.353 644388.1623 745329.3829 Valerophenone 190454691.1 293283608.6 290553595.7 380727173.4 316806560.3 605071550.1 392284310 536127984.7 355949533.3 650840249.4 703524276.8 243402274.9 313406086.8 (S)-1-Methoxy-3-heptanethiol 29709383.91 41616532.12 33570775.87 56656456.19 36045040.38 26461152.97 40271162.07 45235861.18 50267235.84 32865169.27 41274739.97 28759479.07 33063792.85 (S)-Nicotine 8287832.83 13785859.34 11359076.28 5394357.354 5626909.089 7592822.364 11140733.23 7649153.83 11649326.42 8914861.681 13371308.67 5058092.735 7400004.276 Dipropylene glycol dimethyl ether 440224885.1 539501478 552792553.4 487262097.1 511229724.8 693213692.9 507348646.4 473330050.5 437985610.1 429229170.5 410304183.9 981069975.1 506729061.2 3-phospho-hydroxypyruvate 2253553.115 1648828.884 4307233.512 1557259.908 2440956.335 4087651.377 2268592.469 2250114.478 10975901.71 6906579.895 7256498.387 8379590.709 10410094.1 4-Amino-3-hydroxybutyrate 20888437.4 12973420.44 16795765.48 43631834.17 30179984.22 42603005.06 24236167.33 147738047.8 28915431.15 32060981.87 32579936.12 21520277.6 40138473.39 Ethionine 2284974.58 5166207.11 4379382.859 3446957.355 2519635.983 2949397.303 2827553.182 3302636.327 2598378.197 2960916.198 2794136.123 4341766.478 2401518.078 1-Methoxymethylbenzotriazole 1257502.425 5061082.927 4884850.796 7910545.774 5329519.73 2400052.896 2718350.474 3430378.055 2695269.343 1425277.376 672354.9995 2221258.043 2445052.499 2-Deoxy-scyllo-inosamine 74887285.97 112931642.8 90757603.25 54453066.82 41517454.26 144486502.3 94459912.35 93525837.77 82190105.94 129284776.7 144061377.9 74998929.89 99368614.71 (R)-2-Methylimino-1-phenylpropan-1-ol 5747507.684 5271857.249 4840428.156 6404871.748 6619949.433 7708180.596 6753241.243 6525774.77 6965942.397 6504554.401 6561325.101 6238814.633 6582968.881 Mephentermine 19815.02204 29276.69951 28683.17097 117545.0589 55136.35322 57063.50473 45505.59989 101506.8208 36477.82725 200068.2765 62312.07523 60104.8357 52649.28179 4-Pentylaniline 1513983.817 1848741.246 1658202.756 3865803.267 3069465.481 3527031.653 3828877.337 3211896.196 2116192.895 1732308.681 6076014.055 2294066.282 2576029.06 Keto-L-rhamnulose 1182058.094 8086794.272 6260545.478 1285327.475 721388.8684 836817.6621 701342.3337 1053361.835 1072455.787 883503.5843 1394678.565 662048.4457 759900.2336 4-Morpholinopyridine 3930035.818 5417625.985 6313995.964 6509568.681 6005497.543 9270751.9 6317370.284 6782237.166 5226971.943 7595714.057 10595212.18 2931680.276 3980951.489 1-Pyrimidinylpiperazine 6036863.437 10366097.24 9837625.559 30812365.97 17560931.2 29265709.78 25510767.3 12593186.47 16512890.49 14926203.71 772681.0943 24542331.43 949357.1078 2-(1-Piperazinyl)pyrimidine 482958.4774 340043.2725 364772.246 488287.5177 294337.3689 1910086.156 2108592.834 1033639.687 1145539.781 2938312.188 26662317.14 33486991.09 7026145.77 3,6-Dihydronicotine 11835451.06 45052936.94 39630703.84 16912686.68 10887421.56 23413016.79 21050189.28 19932737.69 16894235.73 32236317.57 35919287.89 15938444.9 14713354.22 2-Hydroxy-L-methionine 851341.8998 1017012.612 737043.6596 7826661.963 9146561.55 5862795.503 6489752.595 4584028.596 5675735.909 1605116.368 3914728.885 2582420.044 3393349.371 N,4-Dinitroso-N-methylaniline 57003.65547 47175.67378 53839.88581 87142.63365 87813.08134 135215.0847 82846.9734 113577.4022 133513.255 76627.9618 131608.2759 159246.5874 123909.1654 1-Hydroxy-2-pentanone 10599638.88 18217304.22 15682748.31 17710187.62 16626503.53 9739898.816 10020021.75 19873747.23 24392559.3 13875497.96 12634182.39 31709399.87 30355966.3 Mevalonic acid 160969.5093 129655.0104 157943.9641 69593.61218 145916.9616 1129681.847 2288873.573 733700.9411 955855.369 3573570.118 8257546.195 6196105.563 5188360.391 Hordenine 6793990.867 10990234.34 9164590.796 19536933.46 7001638.29 11165162.31 9369374.397 14255214.57 8072653.023 9616010.145 10420095.7 5754377.074 7092246.072 3-(3-Hydroxyphenyl)propanoate 45869336.08 66330470.55 72842112.15 110025359.9 36071713.42 39598359.24 97091886.06 33434278.41 29374636.44 47920002.22 38290323.74 43486637.36 84426827.02 2-CHLOROMETHYL-1,3,DIMETHOXY-2-METHYL-PROPANE 29139078.95 27154137.82 25060646.46 79574902.92 57319285.47 72498576.66 63424421.72 36737862.94 59041253.87 43948441.35 51529981.66 57450056.94 52481926.01 (2R,3R,4R)-Hexane-1,2,3,4,6-pentol 13819638.78 15633530.86 13784662.97 3093351.856 4668369.955 3980792.391 7249331.622 9458863.696 12172435.95 9579121.546 6096528.405 19615523.51 17730347.11 5-Methylcytosine 398574.0205 482886.6777 372983.0904 503795.7645 680357.0593 534044.3279 507965.2873 479861.1542 570435.7807 487474.3128 529626.174 509080.229 458081.2996 4-ETHOXY-2-ETHYL-6-METHYLPRIMIDINE 40342264.99 61902188.82 2963162.608 131963917.1 97658144.55 5590915.864 88987686.29 83209274.68 85845725.27 8669119.053 114775877.7 64965204.06 70830131.69 4-Methylhistamine 45551.17437 52229.62432 34390.38061 263982.6606 306797.2557 2076950.69 2492535.643 1476563.969 1443000.678 3496116.645 7037071.504 9229004.962 7095829.003 4-Methylamphetamine 553555.9745 648423.2689 827686.3135 1017140.38 628922.4669 795788.7879 1343662.32 962092.2123 1248479.927 1322337.859 1390226.39 1472339.65 1255118.419 Methamphetamine 75657576.88 83060216.29 80520463.47 69341247.57 69544149.05 69457974.69 70114874.15 69102972.13 70080922.17 68464592.45 68683070.04 70101680.85 69152497.37 (-)-Deoxyephedrine 57548205.41 63887953.76 71791753.27 47557183.69 52450395.39 48803449.16 48969782.92 47631395.83 48986425.41 46419218.97 46856624.2 48330469.54 46711968.79 acetyltaurine 712300.4932 655832.5872 2122072.411 2712518.182 2753494.54 4016131.169 1969815.254 2063708.269 2164094.048 1784702.089 1341216.328 918939.448 2023668.407 Pyridoxal 515796.3245 1172086.34 945331.7986 1688544.007 1247888.92 905685.704 1134010.979 1614192.502 1615064.74 653402.2136 682593.4563 1174447.89 1285009.463 2,4-Diamino-6-nitrotoluene 118929.9561 158976.2347 152060.5407 245984.14 244210.8041 264065.5437 195734.6059 268653.1167 230233.4932 215370.1323 359060.266 235853.4487 270240.3162 3-hydroxynonanoyl carnitine 117890.8827 163247.2812 406560.5567 192212.0251 539377.4181 489335.4478 471881.707 199842.7865 211160.8153 631169.532 348080.3212 598291.2489 631707.7733 (9Z)-(13S)-12,13-epoxyoctadeca-9,11-dienoate 315050.5151 336534.9247 348330.4498 339165.3858 349850.6923 311638.2939 289793.565 325382.8806 296017.1638 353412.9265 388426.4234 302130.6732 305321.0491 1-Cyclohexylpyrrolidin-2-one 1799517.238 3977553.722 3610853.407 5449930.903 5421006.839 7262005.884 5797940.082 5413802.167 4925548.603 7841681.359 7613851.959 3199076.607 3570651.481 Arachidic acid 22084.23539 39295.02992 33739.89602 40640.34137 34951.47465 55580.89263 48161.57667 41001.79959 42727.83251 58537.87755 68031.92977 63139.03376 61973.95526 2-DIMETHYLAMINO-5-NITROPYRIMIDINE 334548.6135 402273.5755 388654.9105 377944.2953 309366.36 333236.6738 305314.0846 299421.7202 286309.9168 533277.1265 552751.3163 209582.8022 225834.7857 (-)-Norephedrine 533666.2685 894508.7343 552165.4427 1257096.373 1099332.064 1039477.344 1022677.804 1105325.79 786724.8124 1103662.479 1629214.938 814387.9107 721412.5006 2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamide 2410688597 2858582683 3058083395 3945248898 4444666424 4242271967 3492811536 3473098010 2552535439 3312570101 3749328726 2965564218 2204648662 4-(trifluoromethyl)nicotinic acid 406470809.5 657835334.4 555161891.3 555368435.2 539281243.7 317862216.2 282057541.5 375116280.5 392292107.6 299783971.1 270016393.8 297895919 265685675.3 L-Glutamate 969461492.6 1619269633 1410930011 1280315087 1204199613 712139204.8 617101021.2 912645232.6 908676067 742368411.1 713708322.3 647418996 633066996.3 Aminohydroxyacetic acid 1918131.52 1748268.196 1710800.427 1950104.201 1959823.939 1953362.876 1941406.41 1881934.256 1915415.556 2035634.714 2001935.713 2068015.123 1947659.584 5-Hydroxyuracil 187129.0594 238216.4275 344811.6017 414679.0784 256361.9293 887705.6082 907438.9514 1003800.379 858183.3891 1318618.689 1649560.797 2077559.526 1987156.923 4-Hydroxy-5-[(E)-(hydroxymethylene)amino]-6-iminio-2-imino-1,2,5,6-tetrahydropyrimidin-5-ide 1919895.742 3939299.437 1218162.035 2630857.666 4040101.077 792714.4348 1445970.883 4657513.757 2865328.549 5184551.23 6521620.685 1164440.017 1415270.471 Dihydrothymine 6033618.851 1221286.193 8447763.696 8297263.245 6810576.141 10069391.7 8873144.216 7280918.663 7766021.616 9749607.747 10318436.65 4117862.286 4755557.412 N1-Methyl-2-pyridone-5-carboxamide 29294067.66 114748873.4 90063123.87 54075889.57 33727565.16 49171772.46 27178479.33 39135168.76 34061356.42 39503576.35 152343168.9 12045616.86 14384583.46 3-Methylhistidine 29433360.43 114914924.5 90251811.2 54318934.9 33922536.19 49486594.97 63205133.45 39369505.31 34260097.1 39663726.7 48059205.59 12197145.09 14483543.45 Ipronidazole 35857851.17 254690059 130703223 211466109.9 84636179.51 276414365 140624421.8 201969777.8 196724191.2 132504227.5 165329947.7 58294228.25 149424589.1 Diacetone acrylamide 3744517639 4933036398 5811254853 2753467674 6350172968 8514471299 7164825503 6151075948 5270820088 8306226130 6349806005 4753788089 5854512798 Cyclohexane-1-carboxylate 381216.3921 512252.4447 921268.4275 1380030.517 1364044.692 1778370.212 1557485.826 1537289.212 1276659.238 963244.8136 654526.2362 993331.9668 1599455.236 N,N-Dimethylacetamide 976915.8029 890403.4008 871320.8431 959823.2654 998150.0002 994859.3426 944389.5262 928693.0786 942348.9735 1036760.88 1023506.351 1053252.415 991954.6218 Lupinine 1339849.737 2893162.196 2358694.682 4082401.671 4803712.234 5574879.468 3342070.531 4778146.939 3255397.128 3883771.427 4653322.984 2812671.914 4517611.301 METHYL DICHLOROPYRUVATE 479063.71 1152607.004 2841450.605 587890.7844 519453.6598 584132.5678 524069.3955 611164.8458 535095.6861 1608586.602 594119.5575 715638.8418 8505986.306 Levetiracetam 4616878.206 7590207.345 8103652.393 18157270.65 10599465.36 12123886.47 7762999.094 10435658.1 9676592.084 14129096.5 17198809.04 5419620.214 6508600.91 4-Decenoic acid, (4E)- 91636004.87 256725687.2 13944972.54 386223761.8 27097384.66 33451242.06 146305943.9 22576688.08 272306829.9 20479861.51 38126446.06 83569302.92 217753149.6 Isophorondiamine 641696.6226 597973.8075 624906.4848 16845316.26 2477167.866 22837056.32 711447.7135 707138.5146 714565.3504 8433303.11 20005904.69 690009.9097 691559.9268 Metronidazole 218579.1716 675220.9515 386928.3267 598752.1029 482124.074 1360816.509 1272027.408 904729.5945 1067072.285 1980329.245 2378719.477 3043178.455 2538257.469 N-Butyryl-L-homoserinelactone 893161.8467 2084279.59 1918616.314 4865507.244 2365223.763 2283124.563 2458591.877 3036976.75 2334431.834 3158769.554 3498183.372 1392407.131 1076832.703 Butyric acid 47260.14248 87282.72555 103970.5688 155778.1845 110131.5005 522145.5245 704292.0122 424910.5196 343406.3907 1049278.434 1555617.4 2126112.652 1645972.184 Moroxydine 3925458.208 3587009.819 3111963.286 7434625.379 4511717.577 11321728.7 7384916.412 7709454.141 3275986.957 2419828.873 5190663.638 2408437.28 6244669.874 Gabapentin 896429945.7 2586690678 2073957291 3893339384 1776766501 2340334611 1429874239 2455408461 2728512785 4612063844 5203990010 789547336.8 2165484040 sn-Glycerol 1-phosphate 467752596.8 534431937.9 557446610.2 787444983.3 846967293.5 1009380610 1009662127 907232032.6 930508761 759443306.1 712552562.4 996357774.5 1095564368 Gly-Pro(Glycylproline) 2935095.261 3790929.963 3819194.556 6333572.725 4251627.877 7485888.711 5349494.394 5158672.777 6664690.593 6489339.615 6653139.89 3491063.685 3553849.826 1,1,6-Trimethyl-1,2-dihydronaphthalene 11262660.65 20925878.71 17833515.96 26258543.61 28613520.47 34288167.96 28782905.58 35891230.2 27869818.91 37147571.91 43512159.45 27873001.49 27529858.69 N6_N6_N6-Trimethyl-L-lysine 314774492.8 506162725.5 504310072.9 561847739.7 493166522.1 591675422.8 389765284.2 465011666.5 386954702.4 533717827.7 694346102.5 182831704.2 241696702.7 N,N,N',N'-Tetramethyl-1,6-hexanediamine 104016.7614 61114.03106 55714.809 100951.6989 89861.31025 154517.1968 149966.8352 144930.604 121459.2409 256780.2872 286214.0825 283747.3227 241247.7146 (R)-5-Diphosphomevalonic acid 13704584.19 9372131.614 12173676.91 13003397.48 10521588.74 6973751.73 13648560.69 12142540.51 11439464.27 29237344.88 5057599.63 7186857.278 7803135.339 Guanosine diphosphate 2785679.466 3705621.195 10610628.98 2744305.45 2853888.403 2844479.827 2774802.603 2767350.873 4749460.93 3373610.457 2926386.721 3011436.007 6549123.844 Sulfanilic acid 185292.4967 1303490.754 1269222.732 4663109.877 2485621.754 1654556.15 2169759.06 3668679.843 3802169.454 712977.0041 2296516.729 1666761.09 1436100.127 N-Acetyl-L-glutamate 5-semialdehyde 39328364.75 78275768.72 50636367.34 85992564.58 55925290.71 62687123.54 47534656.84 73202408.74 62990312.07 69065834.86 77043301.81 34771138.45 40034554.21 4-Imidazolone-5-propanoate 12762346.17 14541369.97 13660773.66 15401479.32 9664899.537 15359542.95 10112885.24 19261464.95 17477445.35 13324567.29 13787669.09 15091320.82 10621872.61 5-Guanidino-2-oxopentanoate 4786898.645 3958632.133 3385751.849 12691469.53 6628593.298 12644738.18 13578457.77 49745668.33 60197426.43 18404863.01 20331711.13 48451052.23 24360109.71 N-Acetyl-L-tyrosine 21256.51617 22309.29109 23268.75479 32330.09868 37068.97705 42275.84136 70585.1687 68214.75638 57167.44635 85202.18307 76948.9739 93896.09861 79967.00231 4-Piperidinol, 1-hydroxy-2,2,6,6-tetramethyl- 574346878.9 858201240.3 1239241046 1053614032 1375754447 1598674865 1145624666 875809297 798582896.6 1228922035 974581834.8 851778280.3 704379776.6 S-Propyl hexanethioate 111648.2265 202938.2321 245031.8042 468022.5969 287294.1199 1679492.229 1225059.298 371257.7331 1315057.918 328767.3824 534897.7528 119867.351 791511.3173 L-Arginine 79653677.79 79916164.78 65627085.37 148438563.9 134767090 254634027.8 223089566.2 181999998.6 177956049.7 210023099.6 206460843.5 168021008.1 181614262.7 Ethyl lysine 38581185.97 101592383.4 84484885.91 99738012.72 74826288.68 71722903.34 53156896.8 68475031.28 66781262.1 70251082.01 78358361.78 34921934.54 40789736.45 phosphoadenosine-5'-phosphosulfate 10991103.06 18143676.19 14823722.97 5654650.799 4914004.513 5316471.582 3729631.81 5305830.133 6681899.4 11136788.74 10883918.46 6836782.769 5968650.914 2-CHLORO-5-NITROPYRIDINE 3135852.423 3062924.189 2620657.762 4816363.016 4485985.891 4594931.123 4417117.049 4582872.193 4716430.908 4511147.619 4931626.957 4165388.854 4420316.884 [FAamino_oxo(6:0/2:0)]2-amino-3-oxo-hexanedioicacid 30141.99845 35063.08254 202387.4372 95509.5403 642697.4163 52777.70912 1398262.6 156656.6368 197598.4373 246947.0537 1546766.335 50131.83357 57846.24096 Guanidinosuccinic acid 21613466.59 8351116.626 15205269.52 3883269.385 11691529.76 5425442.65 15331951.68 26146728.36 39332135.97 20421260.02 8374918.707 61510091.73 59573752.31 L-(+)-Citrulline 465513647.9 885117432.7 658649639.8 531732796.5 521393526.9 401578507.3 573855292 541222501.2 1073820914 564930446.8 875942311 627242532.5 671554229.3 4-Dimethylaminocinnamaldehyde 35558.07861 35279.94576 38745.64847 33929.65703 36797.00044 32090.27865 32103.42743 34119.02567 32830.61331 32741.91189 32829.86816 33277.30787 34872.53527 N-(2-Hydroxypropyl)valine 99163940.42 143218861.8 144468052.7 196719612.3 168847111.1 139368049.9 117973906.7 106253575.2 111038290.9 128033999 161588685.4 58626691.1 64186942.25 Carboxynorspermidine 1299600.901 1188724.468 1265730.4 1427824.923 1464240.791 1457984.677 1443011.198 1486183.919 1455065.825 1503980.542 1436103.664 1487865.299 1490982.062 1-Phenylcyclohexylamine 430564.4629 476188.5308 357090.3348 1842496.026 330816.4372 459099.4601 2136300.888 654053.9581 2518917.025 462380.0344 241677.6514 1741764.452 262798.0453 Methylenediphosphonic acid 9532.397823 10428.78733 11505.0733 68698.91937 130490.6049 93824.76089 140932.2036 143367.6721 117782.355 187506.6435 149564.451 59287.13808 50407.12431 2-[(1,3-thiazol-2-ylamino)methylidene]malononitrile 48166078.34 58027364.02 64247898.59 160008035.2 132611348.3 134027447.8 99522876.47 111099319.8 105325219.5 113975575.1 125613959.6 53450955.11 59820208.54 N,N-dihydroxy-L-tyrosine 91063.41731 158779.5903 141569.3259 283529.794 182646.4339 307332.2368 170226.985 192236.3039 151768.8018 273968.3408 305132.6778 107686.5144 130712.603 3-oxoindane-1-carboxylic acid 6397738.071 7100912.588 9261127.168 14815117.77 16379150.88 35660396 18645516.72 22356235.45 13600049.31 23549571.41 35076855.23 10128928.6 9135277.244 Ethylenediamine-N,N'-diacetic acid 294089484 590919827.5 390492534.1 167489591.1 130500456.1 101398780.4 41653109.11 124402442 124354210.8 123598855.4 125404535.1 102232419 103425559.8 2-Methylpyridine 25287.78507 42880.21737 102807.9714 305247.0631 176667.5127 1486290.21 1179963.424 960695.214 1013562.136 2474949.966 3802491.059 5405118.197 4396481.027 1-Benzylpiperazine 1818592.28 4779280.221 4251199.757 6937512.133 3604511.792 5725973.699 4073573.499 16567676.01 3031767.356 23971523.77 22952573.72 12751495.69 10431243.4 1,2,3-TRIMETHOXYHEXANE 2281009.749 7112151.357 2463790.73 5139501.945 10746119.2 7155354.536 6067007.159 14403310.35 8426531.223 18559512.16 1992881.879 3594402.446 6134408.656 D-ribulose-1,5-bisphosphate 82509.10612 91949.10804 47235.97209 517933.7794 499240.3816 581746.6698 882969.8005 592237.134 1139864.109 1098437.307 1327573.042 1291260.872 1075124.225 L-Aspartic acid 98897352.58 217212469.2 245954660.8 271989280.3 205319579.3 195596217.1 136257087 230478383 224469907.2 230418359.7 263925791.3 134876287.3 157665871.1 Sulforaphane 2441698.74 4283420.484 4080325.28 1602512.534 1643950.055 835102.5711 956322.2309 1605654.627 2298454.397 1003657.089 1116072.211 1188989.92 2277535.779 Captamine, TMS derivative 31933774.88 52902687.21 36397772.97 26415925.27 22617852.13 30885971.62 23317567.05 28570172.45 28212405.08 24771218.3 26093713.92 32131968.6 31631584.45 1-Phenylbiguanide 1020304.133 1845303.959 2718582.288 5014957.627 4084833.599 3541222.908 5119174.165 5459534.358 7547930.405 7017762.962 6672015.043 12006660.92 10323657.12 2-Phenyl-4-pentenal 1054458.655 1129401.53 1268735.692 1388649.413 1367802.287 1354236.569 1356074.949 1330804.211 1440606.793 1451963.11 1389649.427 784660.9584 1379127.854 N-Methylnicotinium 12861357.3 91454461.81 99173375.33 19540962.33 13348399.75 57185195.11 36792778.27 60024675.3 30129030.86 139669211.7 138796392.9 58141564.87 26596119.47 N-Propylamphetamine 1887555.699 1841533.412 1790865.785 2298742.042 2254039.693 2283216.678 2554774.228 2251773.84 2293518.239 2104868.554 2096308.502 2137741.633 2187711.149 Methionol, TMS derivative 273095.9094 299162.0818 440999.6422 258356.3649 143347.687 216913.988 187211.5162 123321.7692 124485.9558 196866.4238 109516.7649 124813.8871 176018.9425 DIISOBUTYL DISULFIDE 228720.7589 294526.5805 290376.5507 113852.3406 89704.39747 108397.7656 94983.06875 80172.24735 163759.2781 80709.36116 143901.3649 105820.7768 95987.01133 4-Isobutylbenzoic acid 58792579.87 120849000.5 72870572.06 80269950.47 108434048.9 146568747.1 66197758.33 163176053.1 72091283.24 309412045.6 258127145.2 109889311.3 103579011.7 (3-Aminopropyl)(n-butyl)phosphinic acid 7905.434746 8591.752148 8434.201024 9984.00881 8958.077337 9197.643413 8364.426282 8351.032415 8494.385055 9056.035539 10637.93309 8627.483874 7567.099833 Propofol 39910601.99 57182576.08 58335424.51 84416853.61 98876892.58 109460929.5 86342380.51 95368948.6 78976551.4 92850343.03 127548756.6 62986723.66 64962908.38 5-Methyl-3-isoxazolylsulfate 1177235.7 1816770.358 3573198.77 4200078.895 1622367.309 2410122.701 1520716.834 4668620.878 5041498.387 3067213.08 2100548.872 1334279.697 2059411.791 2-Aminobenzoylacetate 862110.8842 2235132.359 1651883.76 7257218.047 3363680.864 1943157.303 1704499.867 3039555.35 2477021.239 3111432.661 4149704.189 1486116.524 2378375.754 9-Ethylguanine 21984.52879 47735.13462 38260.47142 32801.36947 33463.34447 30083.84792 29544.22099 26399.43685 27914.45519 32574.00535 26304.69996 31582.85831 33579.10573 Salsolinol 8207127.913 14085885.23 11470493.95 18526998.86 16635740.62 16894774.68 15938462.41 14450031.5 14391058.11 14375446.98 9357022.904 13894221.12 15025913.45 1-Butanethiol, TMS derivative 247488.4425 279297.0908 440673.8725 1107047.558 1026248.13 1239352.822 1320679.006 887928.2437 1406540.433 1376775.704 1486633.019 543441.2098 1231304.616 Hexamethylphosphoramide 21976018.27 55628333.5 112221595.4 35976372.55 58605546.92 57923549.4 38017592.7 40626694.52 34662830.18 49324272.27 45694960.22 6755186.243 10645192.84 [Similar to: Bis(2-butoxyethyl) ether; ΔMass: -39.0361 Da] 64413071.89 96340044.01 109245108.3 118664609.4 102413329.5 143203444.8 120850316.9 102345991.3 96245622.36 109478722.3 120727330.2 158329612.4 90781710.53 Rimantadine 13928.85073 22064.84786 22033.03603 25992.89356 21840.46851 41003.2224 32239.6722 26361.66224 28769.50838 40265.91136 46797.56866 38443.32786 42280.24859 4-(N-TRIFLUOROACETYL)AMINO-1,2,4-TRIAZOLE 9462912.647 21457526.41 25811036.5 2269300.499 1783430.374 3090267.579 1618554.491 4032663.874 1531241.353 1718676.977 2648066.663 2200912.074 1494980.388 D-Glucopyranose 46068.81017 45470.93862 49791.01417 51433.46054 47426.21091 44887.196 41653.70246 42110.13823 42314.09008 42199.7663 40447.64632 40829.04175 44945.84322 5-Hydroxykynurenamine 224030.1269 306802.6573 585240.5108 706924.8752 588830.544 974898.429 582934.1106 878888.6093 745021.5328 918797.0718 937964.3335 201049.878 580921.4867 2-HEPTANOYLFURAN 212685115.1 409942891.7 325015601.1 443690393.8 574383432 702022616.6 451966971.5 590331126.7 396481026.8 676366211.2 742662948.6 357117129.4 487029715 Rilmenidine 2541009.58 2732648.886 2848893.161 2797905.626 2963831.711 4659742.269 3780394.338 3075193.275 3241705.492 3945300.525 3169414.946 3418747.088 3677059.103 n-octylimidazole 344713.7913 730844.9009 724857.2395 919535.8383 616478.3139 1111536.247 625408.7683 762727.5234 586268.3734 1029343.696 1111918.564 404386.6176 413686.5114 1-HEXYL-3,5-DIMETHYLPYRAZOLE 13792.82272 21849.36437 21817.86321 25739.04909 32192.38347 40602.78829 30973.29297 26104.21641 27172.35954 39872.67777 46340.54744 38067.89347 41867.34314 Acamprosate 1039773.653 2179608.714 2281174.57 2936555.683 696331.7226 1304763.979 586967.9387 1275316.761 3909412.042 1839045.559 766907.218 2185848.194 4814976.036 Succinimide 75153.55208 229613.1074 478670.1469 367257.0626 275123.0533 788270.2962 905243.3225 562496.6301 735144.8604 1151294.009 1735248.26 2155597.371 1542412.91 2-Amino-6-methyl-2,3,6,7-tetrahydro-1H-pteridin-4-one 37890388.1 45383395.37 18217542.51 3441017.132 5021360.247 3769528.928 5762953.752 6838264.782 5227739.694 5662939.386 28288204.97 10969145.31 13349122.74 3,4-DHMA 19677491.22 32772118.06 14108796.54 40451755.33 33353534.88 62276039 11763276.99 37733900.33 7437852.883 25585982.65 5274314.541 33224095.33 31396213.95 p-Cumate 494000.0198 482566.7872 447065.9507 665834.518 593243.0724 620364.8062 662886.7648 517151.1538 677151.3929 647449.8677 587417.3622 619381.0931 666608.0694 (2E,6Z)-N-Ethyl-2,6-nonadienamide 6406337.397 34218139.11 9662947.471 19502924.49 14456486.23 19303785.63 46192814.73 49027026.74 44042408.74 17870785.53 14762169.2 29839363.16 14127968.47 4-Octyl-2H-triazole 4994072.743 1634743.646 4798125.822 1728752.75 6819103.469 8150988.677 6966102.217 8392080.286 3884307.006 5914816.016 1176073.97 4477010.447 4158190.153 Dicyclohexylamine 364453.6357 392775.7144 423231.2017 1405112.461 1765847.187 1229309.597 529662.8205 534046.8592 1690030.423 542566.1887 1507878.119 1985901.467 1572483.038 Penclomedine 27841355.02 46730270.84 34638438.78 42941041.22 31020609.78 33047821.52 29512565.12 44079481.72 42528724.76 38713477.23 50011394.24 20182854.84 25472980.22 Galactitol 991313.7498 1186565.67 1233069.49 1223161.14 1314633.488 1209619.057 1289508.231 1252873.877 1230387.557 1224982.172 1212051.949 1357832.376 1386941.957 Dacarbazine 311335.1153 785019.9231 361323.7179 488767.8225 349763.5809 618414.5307 329285.1489 432435.5393 357755.204 598506.1804 663124.0065 203565.6703 239570.218 MLS002706482-01! 115898539.3 172548843 170903824.8 441789917 355252306.4 307469072.6 232364528.5 299249966.3 281199374.3 273542944.9 278396994.4 198732259.9 218488211.4 2-Oxo-delta3-4_5_5-trimethylcyclopentenylacetate 36558439.37 65930341.58 49153239.67 99114121.49 49077375.96 88957862.71 78533531.83 58188292.6 65052859.56 90762028.98 92363863.19 211973674.7 65262780.67 Carcinine 250959.5684 405874.4691 630185.3641 1296644.088 492431.7067 4793282.278 2077977.767 1483519.558 1638940.643 5126493.919 21721267.7 26170315.41 14115339.88 Diallylcyanamide 4326326.064 6965191.812 6105492.454 10759015.42 8250429.415 7508345.264 6015103.745 12218859.22 5185286.953 5454640.318 4485389.229 3727903.303 3938537.152 N-Methylpiperidine 7871.12615 7872.447203 8216.968667 10790.50129 10460.79425 10542.51555 10361.80729 10668.96581 10488.58709 11471.2015 12012.36525 11259.48752 10457.92985 Anandamide 39383.23512 33281.97975 32429.23332 38388.19471 34443.52099 36366.67399 34340.30432 34754.02481 32743.04698 38532.62915 40902.51265 34490.59543 30981.80523 Geosmin 64915.63159 92426.96327 247847.2358 247989.4175 404061.3824 121970.5403 137098.7045 230792.0638 211160.6116 150031.4639 196066.9986 216998.6015 194901.8604 6-Hydroxy-5-fluorocytosine 16366.81298 17905.88423 31756.92239 379376.8592 361375.279 470396.1691 509875.6222 537554.5188 734872.0503 922421.0993 795173.0796 579167.3324 365661.0184 L-Homocysteicacid 3181625480 6261381838 5112401581 6950546381 5380249902 8724771476 6555109087 7085903322 6823148185 8386707988 9587342076 4308306958 5087432163 Cholinesulfate 4780452.295 17814162.2 12727034.26 10435224.48 5310405.362 8574393.947 7540189.635 5722089.464 5150247.721 6290153.325 2345474.469 4145983.782 6721685.38 Cholinephosphate 505608082.9 746875280.8 505144843.4 1212974755 838948016 867042170 688576538.4 1126980052 1135647030 1378431194 1380898230 712673298 861247516.2 O-Ureidohomoserine 1133889.692 1134043.773 1143271.18 1065654.443 1079264.911 1146987.315 1087153.719 1064493.057 1152026.348 1114798.317 1139936.525 1136920.965 1133142.523 L-Carnitine 664656.6375 1393892.753 853905.5444 23659867.36 32803963.32 25428524.39 31812255.38 25626853.36 32923573.32 21715115.31 26113744.89 26751711.54 29104019.15 N-(2-Hydroxyethyl)valine 16061998.84 24402613.94 20717570.39 20658870.6 8988931.203 18241875.27 15433471.1 19438588.66 20148210.27 15328901.72 19282435.89 10087818.84 14642058.02 Polystyrene sulfonate 21002144.05 41563559.48 33101582.72 46797351.41 36832336.54 59426457.76 45095476.28 47167855.8 47414802.62 58438910.26 65084545.46 29192732.32 32971873.82 2-CHLORO-5-DIMETHYLAMINOMETHYLENEAMINOPYRIMIDINE 1015924.924 979788.8177 991333.0492 955933.3931 998012.4499 1001089.449 974947.197 1008176.563 1036209.31 1024594.637 1055215.731 1042855.079 1024632.895 Terbuthylazine-TP MT23 (LM5) 1270333.093 370573.9116 1371139.015 4121320.253 1148091.074 969848.1331 779491.6203 1500297.788 1308177.28 831174.129 707991.6597 567366.2875 742935.5683 Phenyl valerate 845478.5023 757057.9306 858738.9944 719074.456 1219488.083 983558.5503 790060.6126 758809.8973 676237.9504 635890.0758 779624.5621 891859.0903 662630.1472 5-Phenylvaleric acid 37135363.38 35417341.34 29854345.97 12047766.91 13418403.87 17388868.33 12630603.82 10549215.25 9844841.566 7397119.805 7079705.665 13134872.7 9686974.137 Valylglutamine 41033868.07 38848416.97 37685432.73 17250440.48 19861602.81 21160225.85 23158562.97 14316568.06 12106817.47 9820710.374 8794589.034 23414052.39 10854710.78 Dicyclopropylmethanol, TMS derivative 9594580.343 41732843.5 32115976.95 5601364.397 2464679.655 17170556.49 12836590.82 18925077.65 14301774.05 32830218.18 39775152.25 7460076.431 9193284.807 1-BUTYL-3,5-DIMETHYLPYRAZOLE 318568.4694 430827.7015 500577.6504 616319.1933 574805.2176 697632.0693 711061.5926 696424.0438 516083.4844 512037.8555 650128.054 547125.0502 428332.8049 5-Aminopentanal 112165099.9 117529150.6 124214287.4 105997494.2 106387039 106170580.6 108419295.8 106526058.8 108086096.6 101910119.3 103994002.4 104464040.2 102419130.4 Dodecylaldehyde 4189097.695 6888693.249 5856117.748 12261628.33 10167089.61 11527354.73 8775150.609 10187965.58 7807450.779 10985639.72 12454275.21 7047741.832 19245268.72 DIISOBUTYLHYDRAZONE ACETONE 322946.3847 688791.8558 800050.1033 2077254.536 2901015.621 1734038.104 3014656.809 2948962.527 2974790.435 2703241.618 2344950.839 2782309.51 2735751.036 O-Phenylhydroxylamine 274223.3474 3378770.067 224569.2129 223022.3987 187168.5611 182638.6552 189197.4577 187514.3405 186021.3969 18062917.42 207633.3063 9476004.921 8581702.347 Propionylcarnitine 14810722.64 6517295.045 9152034.185 3664422.32 4755393.305 2710655.726 7763404.687 10048888.69 11048786.57 6694648.476 4433717.504 11294224.84 12753133.1 Ecgonine 520302770.3 1048154731 671632366.4 1472464718 522076127 1129479406 521864513.8 639851910.1 891583155 1363098131 1506257759 198966567 701610865.4 1-Methylpiperidin-4-yl butanoate 3073724.301 6568120.002 4703718.253 12967242.72 4073143.157 9201125.201 16349626.65 7775970.116 7118000.909 15640493.45 9598085.84 5012587.275 5804298.504 N-Methylputrescine 10778848.34 12398915.99 11703594.83 10408778.7 10506636.18 10754127.02 10491756.62 10362089.44 10427934.68 10069752.76 10511581.26 10346904.02 10041790.38 Methylthiouracil 16871.60449 16695.24231 53891.53603 136985.6038 118211.874 145644.3854 171055.376 160018.7569 126937.4172 145374.7504 176187.6565 237581.9894 233923.1843 3-Phospho-D-glycerate 6315559.554 14861988.12 15803040.87 16586702.53 20480548.25 2818582.708 14130895.97 33760335.74 13909903.47 14791210.28 7686975.35 21145966.53 18828958.32 1,3-Dichloroacetone 353101.968 556926.9802 497060.5282 521858.8644 500455.3344 559801.1496 582267.016 566977.3296 540778.1637 639779.8278 669593.3133 612876.4975 686299.0978 Vanillin glucuronide 316633.132 507284.6687 440682.8876 453002.6921 369434.9715 447799.7364 363882.9605 462555.7428 471677.5919 479624.7461 520172.6316 362300.1299 408241.9694 5-Methylthioribose 2157741.34 6885454.384 3988252.894 4852676.18 9059954.997 5609696.938 10064776.52 10257364.87 11286471.94 1621806.309 573846.4964 9015348.177 15161351.36 6-CHLORO-3,7-DIMETHYL-2,7-OCTADIENAL 1822158.871 1897047.804 2869974.862 5904648.018 1509673.989 6661314.819 2871028.381 3253354.618 3355794.39 6345188.62 4852148.952 914018.1138 1424165.619 1-Methylcyclohexane-1,2-dicarboxylic acid 142754.945 212614.6684 442172.8498 284780.8793 338520.9011 304008.5198 258951.214 308468.0786 280554.7727 329553.2033 301729.5488 283455.7704 306504.1849 Methyl L-leucinate 3706708971 4876194579 5759298159 6126102420 6295894377 8465489614 7118808712 6108174214 5221023528 8263044502 6263503596 4716818041 5821766596 Loline 18609261.02 21002151.39 27877700.34 39571839.39 34690248.34 179505203.2 84208545.26 37479637.66 35528174.62 99583480.32 72217871.28 36679438.66 28833864.4 1-Hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide 3769004.286 7268098.19 8298256.048 9631693.521 13094787.05 30954254.15 14724913.65 6269864.024 15915090.62 15850970.86 46025340.29 6922632.506 11598354.5 bis-(acetyl)diaminopentane_major 3707656380 4873780340 5757454106 6125241779 6293946758 8463626451 7117730659 6107532408 5218239870 8259983640 6263579494 4714644687 5818108315 (S)-3-Sulfonatolactate 548331.5877 517314.586 562084.7562 618917.0882 635915.0722 618498.2429 640811.501 633647.6724 646164.712 667886.7287 620326.6163 660730.2821 662114.3721 Dihydroxyacetone phosphate 27427572.91 24466379.43 8767898.425 25980465.46 16481318.94 19190256.39 8692234.386 12079052.42 8819097.246 11458604.78 36088592.1 5041954.773 9983036.721 trans-3-Indoleacrylic acid 5478587.221 16579285.75 11688223.08 8923531.923 7267330.106 11018472.09 8162497.855 8874062.108 9875231.643 8744128.828 9805832.94 5068126.157 4028347.75 2-Keto-6-acetamidocaproate 1174386.787 1993308.491 1209698.08 2559583.268 2639938.824 2717498.434 1815938.42 1726008.912 1767145.782 1807776.977 2428912.468 998817.2257 1015762.386 1,2,4-Benzotriazin-3-amine 329457.5245 298846.9321 463520.8103 94373.39275 95529.79224 94269.11891 86648.98852 101542.9645 90339.53938 110305.0593 86419.39784 90994.91922 90612.54996 6-Phenyl-1,3,5-triazine-2,4-diamine 302896.2487 156290.7006 95158.74297 434794.0629 131935.9873 79173.42172 45603.0289 46475.5082 44316.14672 86184.46675 44315.14088 44020.08897 181013.2772 8-Amino-7-oxononanoate 83177747.04 183714258.3 134590892.2 342181853.6 118074594.1 307751706.8 185455181 172538621.7 187276213.6 268005501.8 327052462.8 94486741.52 142411412.9 N1-Acetylspermidine 7727074.757 14700529.06 12923488.44 14171756.63 11696957.22 14088446.21 15926577.77 15201786.67 11531485.81 12246979.89 14395870.68 6027525.269 6378242.57 2-Chloro-5-methyl-cis-dienelactone 501665.3693 951930.2849 963297.3302 9442419.911 10478268.82 10548521.97 12671224.79 9039492.695 11946312.63 10189240.95 19453401.79 14070309.2 8944716.169 (2-Methylphenyl) Dihydrogen Phosphate 64936083.34 82270150.3 81523153.14 141550273.1 106223951 178389062.3 151983867 167512653 156464872.2 167599662.4 73516811.52 138386742.8 149667788.8 Plumbagin 83067.3228 96978.04047 82376.54422 103608.7382 80431.08251 103020.7091 98948.92148 108912.5132 62825.19512 99857.91527 98613.6812 64443.38736 819185.3141 methyl 3,4,5-trihydroxycyclohexene-1-carboxylate 240655.3477 252318.598 141017.3646 159840.7948 145075.7831 217764.8762 153814.7126 173348.6035 150046.5751 200583.8619 178769.1515 156233.3406 165110.3212 Homoarginine 7433787.325 13287301.17 13449059.29 11650856.73 8813104.146 11735007.63 7131676.509 11937287.79 10375823.81 8980230.878 10074895.15 5523940.33 5732712.419 N6,N6,N6-Trimethyl-L-lysine 274175933.4 514988878.1 381503642.8 583479156.2 412709017.5 1124274813 725179359.9 424467110.3 400513938.8 510974347.9 598840401.7 237880648.9 300913322.7 Pyroglutamic acid 833332.764 1305050.572 3594601.214 1784662.695 3478440.638 6107944.735 12050846.99 6597049.59 13385140.88 10658139.1 11842455.57 21503996.58 20791095.16 L-Homocitrulline 1731457.886 2736887.602 2370294.049 4186329.081 3400910.494 5076501.209 3744281.798 3822728.734 3520354.489 3239403.566 3596383.086 2216553.937 2810897.105 2,4-Dichlorobenzoate 130777.6788 2793671.626 954396.6662 177580.5635 152721.815 204161.7766 148297.2339 161512.8337 133849.4268 1922324.639 177376.2991 518060.0798 2841656.545 Carglumic acid 10814209.79 21491586.29 18028769.19 23537995.57 17897441.7 19235586.34 14719998.36 18465721.19 18560423.82 19300819.42 21439447.04 11531762.8 13543559.44 Monobutyl phthalate 8764949.858 9706908.597 13385462.28 21074743.55 22747085.76 48906589.27 27632200.79 30657024.9 19649814.62 42950831.71 46834152.4 14972523.16 14824208 2,4-Dimethoxyquinazoline 225331.5331 553929.211 588880.5825 876706.6425 679585.7683 1101708.482 983693.6325 811856.5734 601790.0895 1279201.566 1171428.612 784638.5725 949333.2519 meso-Diaminopimelate 920768.2145 2000055.662 1584135.959 4003248.673 1704457.118 2551000.96 2906077.212 2158740.34 2804152.771 2939751.765 1407210.297 819671.8434 1722684.533 Dihydralazine 61440.14746 88240.41608 92227.67986 83945.26642 74872.6792 100827.5322 79833.73726 87937.84884 85719.23253 93210.83157 314783.1863 275041.6884 137571.0146 MG 6:0 4582132.532 7127392.081 6122513.132 15964013.11 8592380.414 23774866.35 12676780.22 15142368.58 9526598.54 24578034.41 22971620.06 3974902.547 34144677.54 5-METHYL-5-PHENYL-3-HEXANONE 151807404.5 244365182 204218078.8 329664122.7 236350324.2 464579443.8 243938340.1 379915141.5 247475748.8 551934165.2 528678183.6 165865477.5 234611292.3 1,1-Dimethyl-4-phenylpiperazinium 12780866.75 12816853 12431075.77 13615551.83 13783305.69 13660323.58 14006142.21 13717616.6 13965726.29 13406603.75 13685531.43 13757007.94 14048455.66 3,7-DIMETHYL-1,2,3-OCTANETRIOL 18257631.66 27036510.33 22429177.66 45520664.59 35549934.39 44026486.27 36164637.53 36307864.07 28925459.5 41403454.64 50773673.26 23492316.3 27274961.24 3,4-Dichloronitrobenzene 126124.8008 1596916.359 794042.4448 234119.5676 161889.6045 803508.0521 276076.3132 816235.2879 2205823.835 4305758.343 2878919.018 2331671.687 1865601.006 phosphoenol pyruvate 3623634.968 3863903.391 3878122.531 3654550.337 3780784.547 3695588.533 3746976.824 3718006.724 3563428.302 3790364.706 3571065.65 4001918.869 3961928.649 N-(2,3-Dihydroxypropyl)valine 3338768.026 3631027.842 6552552.021 9264547.048 14054691.07 11296209.59 10769526.93 11658116.51 12974374.78 7896545.994 14117157.31 22232251.94 16521076.45 Phendimetrazine 105050.6535 203909.7011 132680.1222 173151.5801 215335.5106 185823.7757 165364.6678 195080.9439 157154.55 189987.7131 159504.5093 185838.0566 192838.9272 Glutarate semialdehyde 11008881.06 7499592.811 10838295.62 8122239.216 26325254.84 6922098.213 24969960.7 21352488.18 18507332.73 14992794.63 16064640.39 91976196.67 92634872.53 S-Nitroso-N-acetylcysteine 29543482.06 56168865.79 51128606.7 115903374.4 87525126.32 129895802.6 96747076.93 101082437.1 102604685.1 126116002 136191787.5 56446369.42 67504132.5 Ser-Ser 2047584.363 3194683.78 3351230.343 2031014.903 2373704.54 1329954.406 1550506.918 880650.2096 806539.3174 809460.4844 987712.9939 593658.1701 966878.5564 1,9-Nonanedithiol 1343680.972 8071802.166 1623941.762 3567144.932 2626389.767 2996314.035 1698553.654 1226934.168 2186308.343 2297234.376 2958294.377 186845.0774 1392831.429 Etimizol 111388.8002 164855.8247 143228.3387 147135.2661 135720.934 178006.7419 186998.8551 164169.4121 148867.0556 195339.566 448152.5272 647065.7029 636712.4395 Amiflamina 3653992.157 4038557.011 3510624.499 6393514.696 4989304.697 5963799.535 5096858.652 6140198.016 4049324.742 4327668.508 6485758.831 3275675.367 3042405.466 5-Phosphoribosylamine 8462880.904 8827496.02 13041932.29 14338181.33 11155526.65 14304310.75 17800801.47 29877451.93 28907085.44 16549891.02 1071513.677 20352889.42 20121732.23 2-Methylhippuricacid 4203336.646 8313485.887 4312458.415 16419473 6771556.59 5411507.639 1412708.247 10421508.11 7207602.624 2710511.096 7604399.234 1272765.244 3951065.138 Phenylacetylglycine 8377682.891 5994979.416 8323728.194 16170640.07 10030398.44 5411507.639 2722613.851 11163131.68 14665729.44 4865233.198 11410392.68 4080126.85 5639792.237 3-(Butylsulfinyl)-L-alanin 4026654.045 5743532.719 6339016.36 10489729.39 9503733.143 9979233.196 8007889.32 6980792.717 7985416.713 9357277.553 9566286.466 8357427.884 8238845.25 (2r,3r,5s,6r)-2,6-Bis(hydroxymethyl)piperidine-3,4,5-triol 510205.4297 644024.0567 848596.1596 516956.2352 504902.8253 2252210.929 4758965.896 1096814.626 8139402.123 2927521.313 4136097.103 10861168.39 6264555.788 3-(6-Amino-1H-purin-1-yl)-1-propanol 6420454.565 3822391.26 4155444.056 108428.1298 88248.82248 127587.5493 101678.96 121858.2803 110420.8239 168201.8656 504083.7718 683225.66 564501.7937 (-)-Salsoline 428392.1589 3535526.438 1036120.781 6208493.381 803166.1228 1257796.46 3018723.33 850958.8231 1250005.996 1025037.15 1214446.093 480552.5086 692838.1394 Alvameline 16401.75331 17887.31371 19557.45703 134604.6478 50475.08716 1083433.142 1141127.594 1093192.063 699115.4842 491288.3045 4621597.503 6173271.171 3650107.265 Dimethylurea 30782.91253 31921.91681 34344.80856 62582.8858 55707.63225 95789.69139 92968.79029 89846.68448 75296.10582 159185.5468 177432.4101 175903.1942 149556.4546 quinoxaline-2,3-dithiol 325125474.5 249789004.5 426419521.2 327379035.4 308245080.3 417058222.6 309689699.3 365118253.6 366787795.8 295633325 286699492.8 270923725.9 338494166.5 1-Deoxy-D-manno-heptulose 101207560.1 300002730.5 211141059.5 74300369.8 55350815.03 48620262.02 53334048.68 136474892.6 126531169.1 93796013.38 82365880.25 117854605 134924556.6 4-Ethoxy ethylbenzoate 17971768.23 39523593.59 12875248.49 12500094.06 21588380.33 28629076.78 30286669.48 31633157.33 32213007.55 79329800.92 38883742.88 34472301.61 41032357.45 Methoxyeugenol 43642564.85 74841830.44 51550569.11 102719770.1 85975826.09 92797441.92 86354520.32 113732812 68358916.33 152976844.4 104294682 55770674.26 62792754.65 PEG-4 20795975.29 52247901.63 24320356.22 31746721.37 46121288.01 43046003.31 51780603.62 43873991.19 35407200.15 43625943.86 193359969.2 48941773.22 36616146.79 Azimexon 151070.5741 293610.7862 240112.5285 102863.1464 92025.07438 98425.77883 88681.568 104125.4312 97575.25868 105601.075 109164.096 87050.93071 84711.25072 N-(1-Adamantyl)urea 1694461.101 1783887.814 1739517.707 2491740.012 1831833.177 1797677.571 2569211.439 1798868.86 1896954.626 1867298.255 2411871.922 1817986.884 1862121.829 L-Aspartyl-4-phosphate 4911389.172 4736692.72 6700379.023 4960372.908 4994163.637 4977699.095 4947230.771 4873930.485 4990648.95 5187350.081 5121032.11 5269864.157 5537607.162 6-(Hydroxymethyl)-7,8-dihydropterin 314213.2355 433988.7859 354218.2901 549503.5336 522613.9786 917280.8951 356423.8075 354079.5388 363656.6605 986792.0664 2114710.779 245815.6809 272366.4821 2-Amino-4-hydroxy-6,7-dimethyl-5,6,7,8-tetrahydropteridine 15731.38443 15228.89209 16070.43432 14332.84787 14603.28366 16085.29189 14194.57981 15755.44172 13416.51941 14287.9103 13468.43856 14853.45999 15205.68497 Dolichotheline 2128894.682 12614501.5 2045365.591 3724999.63 2906876.583 3474638.305 2969539.838 3577411.866 2359223.977 2521393.061 3778743.054 1908479.156 1772571.078 1-Amino-3-hydroxymethyl-5-methyl-adamantane 1450977.3 3910292.431 4590109.674 2942452.563 3027462.111 7829868.468 5630760.716 7116889.736 4788192.99 8733531.07 8995219.975 3008564.691 3911225.001 2-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanedial 600476.2057 599583.667 1909365.881 39067.52367 36587.80302 34884.00005 36420.19642 37323.22939 35258.6804 34575.52699 34562.41945 34157.1647 95888.32965 Phosphovanillin 13118473.75 65105569.42 183693254.7 20811138.53 6619817.64 7488732.933 6572222.113 2257505.149 119136901.5 106423473.8 4789727.725 35392164.45 189981077.8 Aconitic acid 12369804.23 33042814.19 170336252.8 19545018.94 21769898.91 18075564.47 19244358.75 19582660.67 24099679.13 36089808.04 11751269.17 4555848.548 23787936.56 Phlorisobutyrophenone 78555.10641 115907.1006 268192.3267 267932.2426 200084.2793 186171.6022 314875.1537 283110.8665 156844.4441 126166.1885 543265.1512 172553.7401 146507.1364 N-Methyl-L-threonine 1411675.92 1513061.434 1861559.903 1602065.8 1364875.942 1892155.896 1271121.542 1747834.493 1424109.716 1284373.121 1720416.046 2587358.116 2584640.38 2-Propenoic acid, 2-methyl-, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester 111515210.9 244365320.5 559188035.3 363625996.6 279062933.8 225978096.8 183893735.6 224338892 192628069.9 630293205.8 479035882.6 282800947.4 166113863.4 Cyclo(L-prolyl-L-valyl) 57876940.55 90742777.28 85410936.25 198780541.6 141608659.8 118714059.3 108995228.5 118153531 101863517.3 111969715.4 127811584.2 80562074.51 86206920.03 [3-[(2R,6S)-2,6-Dimethylpiperidin-1-yl]-4H-oxadiazol-3-ium-5-ylidene]azanide 39873.6692 60332.17772 60214.32218 79159.67411 66464.93759 537939.6995 470051.825 194849.8607 1726048.849 4570330.438 1019108.722 3917243.712 1010364.72 YD4593000 18080381.32 29837497.36 31052014.62 46205557.68 42240283.47 43550492.07 42180784.87 50456572.16 39222604.23 51015783.46 57147683.09 36222362.25 35841821.92 L-Dopa 912549.9517 1825019.652 1801099.415 1895505.212 1007938.317 1931751.918 1604568.79 1632318.376 1180831.089 1355303.26 2185933.881 1359403.465 1281297.769 [Similar to: L-(+)-Citrulline; ΔMass: 21.9940 Da] 9488957.02 12680613.86 10091414.5 1294805.514 715651.0007 1770455.157 1417965.104 856154.8872 1069723.986 2188312.719 1587795.422 1159029.979 617479.712 hercynine 2291216.267 3248521.011 2499787.228 2266766.47 2365310.701 2357150.644 2461275.063 2257277.948 2264770.798 2378924.193 2280197.302 2618288.6 2702694.794 Azacyclotridecan-2-one 504363.3109 430255.0654 344120.5991 705683.7452 795508.7479 461737.4666 728464.8934 362472.3637 716149.6301 461960.4505 410290.1767 660341.8255 875450.7547 Guanethidine 11814397.76 50309051.07 74003466.98 739711075.2 534351882.3 512882206.3 418423058.2 450233108 485941238 528063045.9 488671876.1 257349200.9 388493665.9 [Similar to: N,N'-Bis(2,2,6,6-tetramethyl-4-piperidyl)-N,N'-diformylhexamethylenediamine; ΔMass: -253.1918 Da] 787688.9845 6792602.295 15511074.88 207121279.8 166060323.8 132666406.2 150941591.1 126713994.2 176859503.8 159051257.3 101847854.4 226206802.8 226094831.7 2-Oxo-3-(phosphonooxy)propyl formate 57959791.54 83299222.72 93599394.82 11464678.2 12976212.93 10882055.51 12613723.83 12255789.48 12106330.13 12977289.12 18135608.74 13224352.07 14803738.27 (2R,3S)-2,3-dimethylmalate 13563884.7 28685709.03 28581360.9 24544213.18 24591545.2 28787041.44 20431821.21 22307814.31 22862663.11 27846163.49 28474221.27 20057885.38 16387600.97 2-Fluoro-5-hydroxy-L-phenylalanine 30281522.12 39240498.53 54795637.79 54854612.89 34671745.96 26984638.17 16906727.06 31180601.67 28320272.38 32120834.46 33874064.38 15797536.84 17756668.53 SK and F 91581 1631470.594 3456136.585 3717085.012 9563795.79 6492494.068 18024506.31 16296256.74 17164773.02 16080031.55 21322671.37 21740625.57 12540040.25 10338878.92 Metharbital 7702353.261 4759844.15 7865276.579 12606052.96 10734829.62 8670118.799 15061072.99 11795953.23 9973650.66 6649589.605 15354964.86 9600505.145 8456107.235 4-(4-Methylcyclohexyl)-4-oxobutanoic acid 45704565.19 150127090.1 77880304.4 127777557.3 100228726.9 146156123.3 98822075.54 95914579.9 104948391.2 292131373.9 173900417.3 66859994.07 89814691.47 Pesticide3_Cycluron_C11H22N2O_3-Cyclooctyl-1,1-dimethylurea 915984.1337 845524.0432 807629.0926 911444.9108 905704.3306 930940.6079 898570.2142 925020.8573 912766.6151 924210.8324 971918.1527 961027.1391 915569.3369 Cycluron 18705225.62 27648238.03 25891588.54 27906283.89 24491769.08 23393045.04 21284675.92 23019646.99 20171827.05 22496951.64 26934759.95 12916232.88 16165380.31 TRIDECANAL 1350842.151 1774185.155 2236505.223 4524567.757 3588522.576 3262164.365 2621525.519 3378512.742 3420554.33 4528835.188 5025091.111 2840035.962 3050841.927 Etheno adenosine triphosphate 15583421.36 56940245.01 77006361.68 180676137.1 132202601.1 129321725.3 76094345.8 173163236 166703399.5 197013712.6 220429279.7 99154373.37 107647314.7 Phenylacetic acid 78324731.05 94901346.83 91521387.17 118430957.5 112737042.3 79348629.31 113557467 169128945 178142308.4 97193977.55 93359754.25 195055097.6 175689679.2 Metribuzin-desamino 1062160.108 971541.1156 1026060.009 1166957.235 1196719.82 1191606.716 1178157.7 1214653.876 1189221.146 1229199.005 1173723.427 1190262.336 1216096.494 DIETHYL ACETAMIDOMALONATE 707343.4041 566358.7281 1632309.237 779047.3717 956532.2368 979381.821 2721888.919 362859.7105 264490.1758 693860.3645 834987.8824 761749.7762 629616.7274 Imidazole 1139195.26 906627.3342 1513672.652 3666620.246 1450721.928 627780.2602 1859728.356 1140630.01 940522.9116 841687.2769 958666.0615 623874.3613 546806.9571 Ecgoninemethylester 2072391.643 1895583.984 2001956.364 2276862.409 2334932.498 2308154.237 2298715.752 2318907.249 2295582.145 2378230.564 2290063.996 2303935.126 2372581.169 Norspermidine 4036963.841 9860501.033 9592982.124 12669084.11 11214699.39 15892497.41 12276603.81 12896570.14 12737175.34 13933009.44 14034037.17 8689813.395 10136209.15 Diethylcarbamazine 521829.3276 714674.7514 551915.9756 1918835.865 1569659.052 1671830.102 1771228.064 1807631.48 1502677.593 1446384.909 1478768.832 997757.2048 1083300.109 Dodecanamide 667251.602 636759.6795 628046.8167 917388.0482 749288.3497 747803.4742 729444.4164 789228.0159 729291.7178 724249.2072 800920.5824 721820.486 795242.1725 5-Methylangelicin 513118951.5 763812611.6 638835485.2 482249495.1 391840218.1 681838807 634301952.6 655549655.2 730281288.8 706184126.4 722591557.3 485613410.4 562282926.8 TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ACID DIMETHYL ESTER 22637306.63 45790976.18 24739635.86 87412599.19 46671899.95 60680745.63 58225558.46 51788182.78 147901124.6 54097744.88 75958763.24 27451762.96 40203683.95 Cyclohexanecarboxylic acid, TMS derivative 195798.7903 421841.3676 278799.9714 900045.7255 503489.3819 1116404.944 362531.524 749058.5725 838519.1347 867020.5623 1280708.23 260818.9049 475673.0678 Dimethyl suberimidate 2393104371 2819233881 3005501735 3894157795 4409073985 4126842332 3432720192 3433746276 2515287513 3226745612 3691558583 2951209210 2156409973 6-Thioxanthine 5'-monophosphate 67537699.27 94081293.16 74144568.67 113216270.1 77927639.42 67702694.15 62344838.06 64656250.96 73672881.21 58609075.22 61360446.39 25922066.87 46762771.85 Penicillanic acid 24718797.35 53135132.29 40378642.55 65108185.26 48565146.74 88343382.13 62886108.54 67723025.74 66047675.02 85422713.09 95388142.79 34358768 43665983.22 L-dihydroanticapsin 10639970.46 16113241.55 9838175.458 18134379.63 18195191.57 19720058.68 17367316.92 10453030.65 11698957.41 14959901.31 20581595.68 5489945.932 6725567.645 Capryloylglycine 85427867.62 159515326.7 117417144.1 263950698 101481274 137381223.1 97573518.53 105865745.7 147238661.3 114884982.6 130661473.8 72414670.95 124037663.6 Putreanine 2636023.37 2260907.411 2387780.24 2715667.117 2784928.674 2719276.622 2711221.6 2663451.083 2691424.406 2796296.336 2731412.959 2842003.345 2723641.409 11-aminoundecanoicacid 4115307.205 3863482.508 4220024.793 6419172.449 5523098.352 11557486.22 5104277.644 7362139.579 3195648.73 11068179.95 10471299.03 3140161.798 5776689.075 3-BROMO-4,6-DIMETHYL-2-PYRONE 27193.44738 29875.38667 30481.61336 48213.3397 41330.632 48933.33228 45290.01233 47950.01965 43478.51904 52761.7721 55638.39276 41161.88289 43102.03598 5-Chloroorsellinic acid 31686.84404 11654.32101 12857.08618 241746.3673 159730.8246 135070.6003 176488.5123 242277.9768 366210.0804 242320.7683 282035.8831 74445.97506 175545.0059 D-Erythritol4-phosphate 1199539.871 1848217.446 3133354.986 40967.77005 44160.56214 43009.26343 42391.49018 44903.91503 40921.15046 42465.77017 46580.10165 41643.23887 41552.98378 Diphenylsulfoxide 15277201.9 31812859.9 31756674.56 2710112.187 18920542.5 1929559.711 11019256.24 47734806.29 64637677.24 8762625.518 9411528.986 24478836.55 36231554.75 3,5-Dioxooctanedioic acid 140060.9899 561496.4416 647421.7674 454080.1104 1726772.332 340999.1304 287871.4423 397829.8911 430138.699 212861.4271 808711.9432 81394.42025 275698.4222 alpha_beta-Didehydrotryptophan 1952781.268 4979744.771 2825246.724 616252.3871 743722.0127 1331217.929 832072.6493 487907.1344 464272.3491 1029161.876 966254.4617 273052.4294 255082.5255 Proclavaminicacid 55549.14053 88259.28272 86743.19693 10781.18386 35581.18091 51995.23115 61189.20847 109745.2363 114617.5627 186946.7239 23377.52373 237466.571 30955.80655 Purine 4686398.812 5179619.431 4502523.754 8199951.83 6398993.375 7648824.041 6536935.851 7875062.521 1307336.935 5550417.1 8318258.818 4201191.597 3902013.126 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 71239.14389 72550.37895 64694.10169 315641.3091 254107.5356 679891.7973 214286.7333 167012.6228 267830.7072 161337.7581 896807.2663 103839.9338 122723.4861 L-Alanyl-L-leucine 497013651.3 1003088212 639580542.3 1396496504 478057153.3 1060131478 484296374 602992716.5 743254232.2 1547693213 1421678005 170814877.8 628466000.3 TRANS-2-BENZYL-6-METHYLCYCLOHEXANONE 54342031.47 37976398.68 37527739.78 50509031.64 140851294.6 150012013.7 120522275.1 141397027.4 49656788.56 43227722.48 190571417.9 94420688.56 49851816.03 Symmetricdimethylarginine 102548682.3 249097058.6 201814736.9 282428287.5 216630108 172844411.3 131222877.6 171609749.1 166174311.9 198485579.1 214432536.4 91941947.1 106781263.2 N3,N4-Dimethyl-L-arginine 101571954.8 247285290.6 199999695.8 279502211.8 215000714.2 171910749 130860391.9 170670684.8 165262383.5 198040505.5 213738425.6 89969213.87 104674517.4 2-NITROBENZENESULFONIC ACID 186440.4459 187246.1042 478155.9951 5346976.738 7371808.639 7224186.908 7369872.125 6143909.542 7900488.784 8457286.186 12917698.36 7995208.499 5840375.911 N-ACETYLASPARTIC ACID DIMETHYL ESTER 8827754.023 27018615.35 21048751.82 39706755.38 28860211.02 22576730.73 20711542.77 31217932.14 32344939.35 26995432.59 27656906.69 15677666.68 18332633.21 N2-Acetyl-L-aminoadipate 902617.048 1057624.324 1185852.212 1285997.044 1281393.964 1261518.717 1206352.333 1196524.693 1172971.205 1245295.196 1330685.3 1287910.681 1210330.554 1-Carboxyethylleucine 11016624.61 40052820.62 26519438.5 10431495.76 17716765.9 18350177.42 26156086.7 16918236.28 40875947.16 30442314.77 34776099.39 17459690.54 23615617.89 Acetyl-L-carnitine 604628556.5 1285279697 950044940.2 702283871.5 618985279.6 940421670.9 867887600.3 949323887.8 941612228.2 1146447512 1146614392 541271297.6 692332595.5 N6-(delta2-Isopentenyl)-adenine 329250.2382 135229.6106 742839.5682 262538.1132 160951.9193 975404.8862 2243678.94 1585747.118 421230.3062 1712986.823 3444662.063 10946987.25 7891870.846 Crotamiton 2209022.157 4203833.894 3262337.352 2629142.333 2363709.338 4155727.552 10832526.61 4541587.925 3449381.311 2784842.722 2932419.981 10311979.96 10532160.31 1-Methylspermidine 7164026.339 10384766.23 11218070.12 21541272.14 18547320.41 23183250.57 17511676.23 21551585.36 17702839.98 21416434.68 26118494.01 13911595.7 15284337.03 UDP-D-Xylose 595108.3013 895274.5436 774436.2246 858651.8046 778335.446 1038714.127 906755.5006 912386.4855 949201.1433 1128175.095 1190866.672 435446.1087 586515.2519 4-Oxo-3,4-dihydroquinazoline-2-carbohydrazide 87865338.29 144041927.6 119753987.7 99882721.38 82046220.34 92102494.39 106439948 111941492.1 132446270.9 85369330.54 77233384.97 103925255.1 132661457 Glutamylglycine 4658924.672 9578088.971 1806638.354 10639406 7399859.153 8768517.466 6950537.252 8979127.935 8831994.057 9271177.116 8506773.4 5214795.951 6818440.037 7-Propoxy-chromen-2-one 7241314.106 8013918.352 7637991.747 12218147.41 11085972.78 12076903.13 14937099.25 11593648.99 8505822.733 9660646.304 9490989.356 12314943.96 14520154.51 L-Tryptophan 30292921.11 62917716.7 39212269.16 63679254.77 38574198.63 60424939.69 42730909.42 34540226.36 32790449.37 46921266.56 55881980.35 15280137.58 20219712.95 2-[(2S)-2,6-Diaminohexanoyl]oxyacetic acid 74871535.63 112858464.5 90732460.74 54307533.18 41464082.69 144379330.6 94443438.68 93388835.76 81947509.26 129331651.5 143822871.6 74884214 99108155.16 Triethylenemelamine 411216.0794 302256.2449 410032.4291 579126.0212 555776.4387 1563116.948 2089561.948 1749229.707 1698561.247 1993270.221 2792978.003 5086429.405 4574872.64 1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone 75096717.06 84177984.43 91986944.05 90596314.19 99799756.64 110739020.4 161796992.8 148080194.3 97824296.7 144734800.4 130784448.4 75281626.36 106658362.9 OCTAMETHYLTRISILANE 260790.2199 528726.729 331545.0571 366494.0721 265597.7735 534607.0206 396157.9067 962273.9455 491642.1257 598710.9285 649625.7953 295957.601 339237.4437 GAMMA-HYDROXYHOMOARGININE 15075236.89 9555693.891 15590828.06 14709767.26 18653065.99 12382284.01 13907442.81 10902464.22 11577169.95 12305932.94 12147486.42 14868965.36 13445373 Bufotenine 1076904.468 255042.3296 299194.7124 545250.4555 584363.4674 311711.3837 513138.986 496205.2928 448694.1304 1212657.763 528002.8097 611943.5968 533024.3882 (+)-δ-Selinene 5434531.901 17335998.28 14548382.3 27247407.64 24528081.86 25585853.86 20658840.02 23508215.53 20373987.24 20929594.84 30849989.9 20742475.76 18139862.36 N-ACETYLMETHIONINE METHYL ESTER 189588.484 399418.8992 279179.9548 619598.5156 184486.8006 205879.2393 185258.1893 386219.2417 327913.3094 228191.3744 418874.6455 230945.7737 280828.2885 9-(Tetrahydrofuran-2-yl)-9h-purin-6-amine 259756.997 1120592.949 525782.2532 890263.8437 1133529.558 3491649.524 2763825.86 2805894.638 3951686.34 2427446.883 3941752.358 7653672.528 9760953.842 6H-Purin-6-one, 1,7-dihydro-1,7-dimethyl- 268152.4238 430799.3225 415968.2151 554347.7608 447122.6203 665888.2 1089344.889 488142.8995 396469.5165 768533.0399 2991708.695 4105080.699 3733710.658 tetrahomomethionine 5534421.205 7904237.603 5953475.264 3560823.757 1868530.419 10481678.26 6768175.265 6843079.855 5764088.927 9568206.704 10279423.37 5442473.521 7250245.786 DIBROMOCHLOROMETHANE 494649.4742 38326.88977 37025.9908 32414.04549 24018.5183 24718.33319 23325.87872 31144.22188 26501.67598 32662.32211 36092.53054 23475.20614 21746.99949 3,5-Dihydroxyphenyl dihydrogen phosphate 17123976.45 56284777.91 46393867.29 54863796.46 27799088.15 36500636.82 27696366.35 63383934.46 40133631.94 14382781.22 12128115.05 35648666 23372368.79 3-Oxalomalate 23114518.87 32203444.94 24630475.36 1080571.108 837147.9316 1362709.414 645382.1121 619802.3674 695747.4009 646407.4732 990507.0118 492476.0618 587055.7354 2,4,6-Triethyl-1,3,5-oxadithiane 34893.18723 33778.62801 37877.55098 34492.96692 32390.98968 35678.17594 31484.45917 34946.54778 28321.09612 31691.472 29873.83281 32945.89631 33727.15319 1-Methylguanine 52972.0398 58849.0722 47076.68912 43619.65588 45328.82366 38813.42404 37696.54742 34959.98985 38959.54033 40488.92975 35182.93417 39192.47702 50424.65031 (2S)-2-Amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxypropanoic acid 5471090.335 6013362.509 4029241.459 1105922.675 625692.7819 685738.2173 488133.2037 583141.995 544399.059 1031418.373 1098255.102 572553.8386 471517.926 3-Dimethylallyl-4-hydroxybenzoate 7395612.378 7488624.224 9310095.552 14745396.19 13881531.17 15898405.6 15622431.57 14208820.68 11961238.72 17616539.22 17997518.8 10876608.57 13115252.4 2-(Fluoromethyl)arginine 4665696.68 5184023.508 4347489.29 199980.328 201615.2326 251921.1756 173406.2801 166310.2978 181592.7053 208872.1015 225698.4052 148060.32 146817.4422 Pyrimido[5,4-E][1,2,4]triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl- 3901899.228 6453359.894 4946490.284 6650193.167 2705289.57 3250036.088 2980117.049 5049088.708 3574349.917 3660766.699 6746140.599 2042934.462 2827714.257 (S)-Dimethyl 2-aminopentanedioate 1482609.113 1381040.293 1194632.557 4579498.299 2236924.693 2485361.554 2482757.146 1787098.049 1414585.373 2842442.397 3170100.538 807841.7569 809924.881 Miglitol 2355627.862 5520571.686 3332987.039 9501484.358 6438375.265 5379634.892 3655938.884 4205336.815 4026722.053 4221370.277 3504106.074 632459.1183 977276.0237 Desethylprocainamide 5671.44028 9272.743379 9514.910555 10641.35008 9898.563902 31359.6969 13064.11946 11991.30182 11863.75944 45889.306 77134.82124 17547.33118 17659.08368 NP-017152 1504531.243 1760137.63 1152790.806 2379300.286 2659097.073 1987072.7 2545029.437 2307440.934 2654252.446 2304989.337 2273041.633 31094192.65 2021757.631 Hexadecenoylcarnitine 76061.97663 157970.1044 160751.394 236343.2824 176534.4841 191170.4143 142856.9821 150690.0151 172694.8214 247198.4341 295388.6622 96523.45325 132601.374 Tetrahydropyridine 1975759.829 2818059.612 2939431.72 2079991.965 3959098.577 3096944.503 3086605.98 954894.2434 2677148.293 1050414.255 768039.5169 928578.2776 970884.8977 Caproylcholine 2394128.342 2075920.385 2392720.967 296101.6622 377044.6838 321261.1336 402505.6167 686062.994 440859.9634 330920.1857 462189.3789 1387255.512 547727.6435 3-Methyl-1-propylxanthine 214522.4039 284257.5435 318042.6632 337308.6691 209367.4952 729460.4154 3940086.485 694523.29 707746.1344 4546197.618 7784902.799 2622530.818 5451697.933 LysoPA(P-16:0/0:0) 118072.8201 78583.83462 98540.24962 89937.99371 77987.09988 509459.9861 905476.6263 450075.6008 684916.9371 564247.4628 2676723.679 2743625.874 2831532.127 Pilocarpine 638523.5347 1167542.57 665473.8532 1425614.41 222457.4193 171084.6019 137653.9319 253112.7505 1182207.304 823142.2803 517370.1411 75905.53915 131702.3559 4-ISOPROPYL-3-METHYLENE-1-OXA-3,3A,4,5,6,7,8,8A-OCTAHYDROAZULEN-2(1H)-ONE 168063827.8 247909825.1 98675273.71 171256362.2 136699448 506302251 251777106.3 365244919.4 220151904.9 534302405.7 175014643 123500747.8 127885645.3 3,5-DIMETHYL-1-OCTYLPYRAZOLE 532183.6395 223610.6072 621295.8207 216448.4759 482229.4478 310200.5789 304933.7508 342232.2221 330782.2338 230075.0106 252918.1386 504684.4377 269263.7897 Carnosine 9248615.108 3184826.158 4724301.618 1529550.683 2078212.13 1400734.608 1067235.508 1111498.389 1224320.136 908382.88 1192000.242 817988.3527 729521.5358 5-Hydroxypyrimidine 41508.60357 45891.14305 44293.64785 56162.09211 55012.03504 55959.41793 58779.02428 61580.77706 55629.7226 53564.84024 54514.22457 51781.38045 52753.88314 Minoxidil 6205988.982 4672762.648 6500064.057 1761771.813 1286253.574 3543441.593 3916979.484 751895.2707 3306759.684 581784.6713 7012537.135 1669391.925 2719648.333 Dimethirimol 18229.38608 10747.21092 9865.787201 10359.40956 33585.07069 75710.53691 28830.3156 16737.11098 22105.28391 10361.4052 23083.38769 10685.66288 9622.352956 Diethylamine 71921.29061 75439.15415 81501.95411 147676.3696 131452.8851 226034.2216 219377.7622 212010.5524 177675.6603 375628.9495 418685.9371 415077.4576 352907.2524 Phlorisovalerophenone 5688891.84 5821871.309 8553854.046 17682918.12 12553567.56 11162155.35 15899221.22 9982763.517 11181644.17 13940314.81 15751544.5 10437546.49 10358580.54 4-[(2S)-2-Aminopropyl]-N,3-dimethylaniline 5079614.246 18234849.23 19631234.31 7210991.914 5858799.294 8501164.718 7256224.691 9098071.327 5962279.57 13344885.8 14090016.28 8044543.827 5210098.706 6,8-Docosanedione 234551.1483 335770.6074 279370.6757 322473.8273 263961.0001 287036.3765 260503.4726 258790.0906 246489.9839 372896.5554 412087.7995 179662.0684 199067.5508 Phosphocreatine 531048402.1 570518641.6 775436849.4 574582311.4 433897106.8 1724498095 716715531.4 1459088998 1006738863 1391742230 503924048.4 901043949.7 175538933.6 4-Chlorophenylbiguanide 95310.15381 101357.2864 99802.51763 2199821.185 1370760.25 145629.7565 105781.2604 115208.0229 95475.55745 137976.0471 329202.1542 87191.66653 148584.475 Zalcitabine 23474809.76 59561796.57 46201561.74 52580647.62 34980060.85 65176185.93 268915.0827 49104480.86 40321093.23 41707526.23 43295693.36 24074298.53 29283375.64 Acetylisoniazid 23991680 60513419.94 47408262.03 54230913.81 36196731.46 67232877.49 267199.4651 50712106.8 41417887.2 43189910.51 44895855.2 25306761.33 30698060.94 N-Acetyl-3-methylhistidine 23884623.38 62448644.97 49140785.06 56373795.22 37351144.81 69343988.73 42139864.03 52533280.35 42825961.24 44571649.61 46019755.21 26494414.67 32216045.81 Kanosamine 95240909.63 269006091.2 218254856.7 77418866.22 57397598.29 52125245.99 55752973.62 139213247.1 132783800.5 97750182.05 87531471.01 123594625.6 142742257.7 [Similar to: D-(+)-Glucose; ΔMass: 31.0420 Da] 88297527.54 257989286.2 195774368.1 71436483.88 53271539.6 46063836.11 51273043.38 133096163.4 122419338 90490410.8 79026957.02 113588891.9 130636979.2 Pantothenol 25492.9759 25289.7894 44197.01915 198420.4508 263958.1321 134609.9614 130438.4397 134127.759 112443.9478 119660.3584 108028.1729 75054.84587 85270.53784 N-Ethyl-4-menthane-3-carboxamide 186237.2832 192632.6427 185508.1608 208576.4666 244095.0387 246340.2552 250620.3723 269317.3544 558412.1805 187144.3381 176620.4305 233239.0107 186350.2937 Capryloylcholine 6354901.063 13670373.17 23815500.92 73611868.42 51129218.66 77804927.69 60202492.61 57456718.33 52687813.26 42480889.73 63217293.08 29319807.89 34499105.54 2-phosphinomethylmalic acid 24376926.78 12196775.51 15672139.96 14802399.81 17255632.88 22478947.96 20550713.54 19148613.98 18045837 27693638.62 27449970.98 22556262.29 21771085.84 Deoxyribose 1-phosphate 226560.3861 803666.9071 478612.2413 346083.5323 280202.5231 352006.4892 303060.4675 273630.5267 276805.2917 648193.898 430757.7529 355952.0359 872194.2852 2-Hydroxy-6-ketononatrienedioate 4385954.83 4962977.458 6756898.01 3957012.806 837058.5571 15448778.58 6279729.356 13212622.5 8731553.959 12535497.63 4216689.846 7614849.217 1294596.773 albutoin 2102780.502 5344513.82 4335149.948 5097674.717 3169607.722 4728108.056 3527423.506 4066234.078 3413401.111 3631299.096 997592.9421 2153463.685 2507460.723 3-Hydroxyphenylacetic acid 23423129.01 34735494.19 28778768.32 48682389.83 40745139.76 53439712.16 68692334.15 38438978.49 48448674.45 71673417.48 76416279.29 70794236.85 65023376.08 BURIMAMIDE 1352810.104 3110069.833 5327389.138 980489.5486 818244.0598 645286.1105 688716.1711 1477618.009 1429494.495 1420303.534 1131395.608 7809780.651 2288617.568 NP-006656 46622857.18 116848753.2 101331994.7 246948565.7 163401210.8 237749207.7 157169364.7 224079776.6 147086668.8 335150970.3 214814045.4 75962149.06 99281091.77 Traumatin 76978482.4 128041273.1 140403074.2 267683250 234267201.5 162003877.3 202172558.9 155701600 169787594.8 194406461.3 148958609 141359122.3 158419090.5 FA 13:1 14544360.57 22083929.23 13008171.49 37032528.12 35083537.42 40435545.04 41467642.62 37475697.94 35665228.22 42280071.64 57922859.43 29093546.9 33674698.22 3-Hydroxypyridine sulfate 1179213.09 1196255.181 1237332.017 1132303.428 1175040.308 1158372.991 1194562.486 1169316.613 1103228.818 1188504.684 1122120.415 1243822.565 1226603.565 Chloroxine 5797151.027 20758811.06 1003505.42 1154175.401 1076376.541 1356133.39 1034568.436 1004325.757 932367.9275 34272108.33 1298669.554 10149660.97 19440198.92 [Similar to: N1-(4-chlorophenyl)-3-(2-thienylthio)propanamide; ΔMass: -84.0061 Da] 98660709 122671122.2 167681977.3 461000663.9 449210189.5 302407744.9 266865062.4 389590341.2 395146411 337014777.4 305842314.2 308739876.3 321947446.4 4-(Phenylamino)benzoic acid 13204194.82 41401795.75 79035555.85 20683650.72 30308739.53 36448030.57 17170449.03 20552495.71 17192941.45 27649398.56 33286193.24 1206683.217 2568308.292 1-(1-NAPHTHYL)ETHYL ALCOHOL 3044025.322 6019936.052 5216230.018 6774595.384 5783353.347 7975125.38 5947069.869 7819727.012 11019994.4 10543264.37 11565413.71 5875561.571 6844098.84 Ecgonine Ethyl Ester 115889214.7 229381016.4 151901283.6 80611639.45 50575121.65 201488587.6 157277002.5 115457402.8 99212179.38 231802823 277634553.2 66309596.44 69478842.98 Guanadrel 193069.7776 352342.9846 412937.0029 708505.9749 763767.214 792169.7071 458630.7858 469468.6274 409189.0303 690868.6707 950322.5452 175415.1558 376476.571 Amifostine 16047391.18 49747057.63 36743232.4 12872303.52 699151.8977 1043985.186 1040465.619 1104465.247 808081.9035 11400254.92 10609875.58 3889880.941 506491.9887 Metribuzin 888726.5901 1181348.436 1290573.336 1643481.083 1684245.561 4400799.87 4820627.358 3733912.193 4336440.675 6410243.834 7346654.811 5154140.967 5477006.494 1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine 184234.6189 275982.3958 232946.0659 165007.1999 331423.7061 866065.1274 941328.2985 623067.2806 3848584.547 1338971.046 2050715.658 2401421.457 2922528.719 (2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one 120115694.4 204142878 192244364.9 512155751.8 401377011.3 305790198.5 252511700.3 358651396 343481477.8 332227279.1 352600625.4 227818409.9 254413070.8 3-Oxododecanoicacid 594661.5585 415905.0791 608048.0998 600151.5316 389584.2567 456916.8823 461210.4701 338630.5954 501864.1784 510184.2259 452393.9031 452975.3828 299777.613 4α-Hydroxymethyl-4β-methyl-5α-cholesta-8,24-dien-3β-ol 17727213.71 69644663.93 117269502.4 151388199.2 131035531.3 119545388 115229394.2 115453158 116289318.9 125944066 89684263.53 57434549.31 87122583.6 cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide 1796927.117 10027422.11 5456263.273 2329368.438 1061409.753 4105257.634 2410761.941 2948796.782 4255593.847 7193246.142 7367906.815 3786418.109 4280694.792 2-CHLORO-4-NITROBENZOIC ACID METHYL ESTER 175445.235 157138.6443 107054.6774 251267.4472 130737.4838 307459.2648 260641.3536 351321.7579 444334.8016 480553.4856 624309.0018 430984.5819 437306.0199 3-(Pyridin-2-yldisulfanyl)propanoic acid 16579674.88 26739631.73 46554057.75 15420902.81 12698145.38 51950112.34 20278900.48 36902045.92 27135321.79 53809842.91 17128389.83 22395645.64 4737212.346 fosfocreatinine 15572826.08 22715979.3 38138002.76 13214272.76 10938978.63 49304013.88 18294266.2 36297787.35 25507981.99 40642776.62 14616141.59 20886969.36 3875732.505 Aminobutane bisphosphonate 10243455.95 19134117.8 16672510.37 35460103.53 28985457.82 30014112.07 24582006.89 32289497.73 28451006.52 30354145.14 33830393.29 23666164.15 24614037.65 sn-glycero-3-Phosphoethanolamine 29496922.51 95383877.11 77760401.52 29002299.29 25632622.88 38833555.13 48522934.32 32140434.33 28829244.52 24102998.83 24564399 18821095.24 18366761.78 Propenoylcarnitine 22191.90879 44181.18188 20655.13044 23674.42017 23923.72627 27383.22596 23195.07925 24976.68925 24198.29713 24447.63739 25296.35379 49700.19616 25419.24341 Indanidine 209779.7698 239172.2018 234465.2649 70660.58876 272667.7202 328017.5172 16544.39474 73720.28087 42815.20298 16231.58856 18740.64255 15456.05215 14595.90673 4-Methoxy-1-methylquinolinium 230509.4428 310086.738 248170.535 311362.4683 281602.6483 309301.2014 275061.2375 279684.0876 272889.2977 324896.5995 346220.2483 261415.7892 259874.9469 Metepa 217740.2626 392288.1805 335858.5247 242103.9456 250503.6573 272194.2625 248887.8681 275844.8144 259629.9123 299894.3199 315314.4644 218661.0084 231018.2641 Diethylcarbamazine N-oxide 9793237.286 15434071.69 14573363.08 17978092.46 13023710.95 9206678.374 9426335.287 15082868.71 14833983 11462897.88 18429871.24 6139899.912 6340198.925 Glycerol 3-phosphate 97457000.05 128410591 129322274.2 115483153.9 101524166.1 153221904.5 130952722.6 133009652.6 135958610.2 109843946.6 105408851.1 113289876.8 150760306 Glycerophosphoric acid 150734175 195814546.6 200254971.3 176667198.5 142826436.3 239061505 193239977.2 202037665.4 201250154.2 172483293.4 162160428.7 167488151.2 226435378.3 Glycyl-Cysteine 19714557.05 19742665.72 24928338.03 4098814.689 3231449.949 44390246.36 60327444.1 4091840.889 68911678.31 46882641.02 39909595.75 85912756.09 92666842.07 Enflurane 22670799.14 21034955.26 26708640.99 44451219.75 59850295.6 47580752.64 63948239.11 70735383.39 76658199.46 47601622.51 43315701.24 43206480.09 70212482.33 4-Phospho-D-erythronate 572018.1056 503368.2031 331463.4803 679526.1443 690270.5204 768398.2382 796653.9441 953304.4828 1032822.72 670440.0407 388465.2034 954393.9098 1917584.771 sphondin 4822332.402 1182105.014 1030907.168 2373830.11 2428684.869 2393325.253 2472137.396 2409645.101 9716863.438 2298463.831 2363060.109 2382585.19 2410484.835 BENZYL 2-HYDROXYPHENYL SULFIDE 15781525.88 53567267.54 16034351.75 394823.1158 404180.4645 483435.7818 319027.9262 820165.6668 578927.1167 573074.9039 926659.9863 663949.7586 739968.0427 N(3)-(4-Methoxyfumaroyl)-2,3-diaminopropionic acid 126349.95 57004.41064 107145.104 498830.2668 122310.7129 85871.78441 98571.99114 113765.2734 99892.15569 220980.7998 121181.9172 103011.6085 726776.9103 6-(4-methoxyphenyl)pyrimidine-2,4-diamine 10797959.94 12361249.97 12314357.05 47237841.03 21841928.91 30006462.06 20232102.5 26023752.65 25067523.47 27456580.48 20560315.42 39516161.6 37137992.81 7-(1-pyrrolidinyl)pyrimido[4,5-d]pyrimidin-4-amine 8131707.512 4438862.73 3652058.066 7428766.088 5095556.836 16499673.71 11929543.59 7760215.663 4303276.775 15860300.32 8254940.575 2858674.362 17584014.88 {[[(4-Cyanobenzyl)amino](imino)methyl]amino}methanimidamide 6929463.497 8578517.274 4106225.596 238323.5404 4149328.027 5020322.436 2719310.035 2434023.918 130607.4161 1197079.554 211017.8964 774719.8319 2514529.834 2-Guanidinobenzimidazole 5741331.103 6345578.201 5516064.831 10045802.84 6263000.436 8551291.521 8997132.585 8148301.396 12310141.57 8294725 10190741.33 16274749.13 16523659.37 4-Hydroxypropofol 302601.8593 335439.3324 537155.0668 750557.8487 568661.9971 1718025.581 1592360.266 1226628.653 1510883.579 2762932.392 3220085.073 4542777.656 3436484.986 Valylvaline 28387388.83 29367047.73 31766230.58 73249370.76 71210516.11 63995238.36 48038354.59 56985642.98 47680313.47 58945398.65 74041392.48 24864128.27 28354988.47 Atractylon 9398546.536 12354510.94 941746.8278 25179097.71 3016806.321 22189448.23 19540753.21 22842428.18 19856449.25 29024996.65 28852252.72 15555575.98 18648814.18 (4-Aminophenyl)arsonic acid 191725.1373 477817.0409 673097.1526 285192.0186 285545.9272 313187.0154 459626.7058 815778.9525 479253.8963 1050633.23 414298.9466 742852.3776 456136.1742 8-Nitro-cGMP 1839080.892 9902644.389 6560827.362 2558567.251 990160.1325 6122685.258 4044541.942 4862228.776 6717016.114 10621801.89 9966449.508 5772853.607 6257692.259 N,N-Bis(2-chloroethyl)aniline 2097496.014 2510622.575 2183571.478 2267467.341 1961002.116 1977748.981 1882071.132 2200583.667 1899714.355 2133031.277 2201143.178 1957148.201 2029171.955 (S)-beta-Methylindolepyruvate 17666840.45 33864301.96 28097097.26 66722846.19 60323949.66 89908982.2 67682158.46 72456681.99 69960415.51 89345869.77 94025867.27 41574045.27 49737718.11 N-Acetyl-L-citrulline 4007329.728 1682433.156 771062.8217 1711380.509 740374.4543 870377.6829 609741.5187 1070172.797 642675.6195 590506.15 660889.4338 980074.2021 408767.6224 (D3)METHYL A-D-GLUCOSIDE 11583622.27 18598301.68 16979766.51 39642352.75 25654531.39 26809217.5 23483495.49 28188418.13 130808935.7 25924928.39 30163751.9 17164097.81 20542929.88 Amino adipic acid diethyl ester 18561801.75 28029445.82 27531054.41 72833131.04 51741857.78 56464677.72 69272232.55 48553959.15 149401449.2 33774134.45 46289011.85 34093727.85 37500614.32 O-Propanoylcarnitine 85115.55285 81093.0159 238756.5906 79951.87356 104945.4326 631807.2067 678067.3149 428242.7094 228961.0725 1157461.507 2288833.871 3427700.734 2069823.178 γ-Glutamyl-L-putrescine 7007837.712 26719820.93 28175332.4 11642939.69 18201156.71 13517391.56 37875889.32 24454784.14 16118638.93 30569218.28 60271692.76 6015976.32 7641013.544 C(Ccc)C(O)(C[N+](C)(C)C)CC([O-])=O 10969424.21 16826064.88 8001517.735 32735130.98 18541884.89 27278260.69 30907441.78 23275203.03 29407390.64 10826804.91 18973968.82 16188523.83 20176946.2 3-Phosphoglyceric acid 2162533.807 1978035.601 2106173.348 2323611.527 2436494.319 2426084.156 2401168.311 2473007.649 2421227.19 2502621.201 2389674.185 2475805.463 2480991.751 Glu-Ala 2417671.407 2211405.945 2343576.142 2597159.61 2723954.017 2712315.653 2684460.215 2764775.221 2706885.659 2797882.605 2671610.003 2767903.124 2773701.294 N2-(D-1-Carboxyethyl)-L-lysine 3965450.018 5750211.864 4691747.212 4757755.019 3881867.219 6805692.514 4952313.341 5071994.171 4976899.097 5635764.999 6262014.777 3758540.435 3802696.804 albaflavenone 11982952.57 12819352.54 12431773.67 21993984.69 19046803.08 27222185.42 24342867.69 24813479.62 22141083.47 30648185.5 27301773.5 18954930.79 22915081.42 3-METHOXY-8-METHYLMERCAPTODECANE 221638.6058 517316.9377 475770.7454 1395777.295 1030547.306 1081603.489 922672.3428 949173.7069 679799.6758 1169839.171 1289699.001 737702.8654 404349.6003 DIETHYLENE GLYCOL DIBUTYL ETHER 3074921.258 11660096.41 3308782.443 17079927.24 17616865.73 7557107.564 16716662.04 12713645.85 14003897.71 18684878.9 21269644.09 14585697.41 12714458.01 5-PHENYLDECANE 8752953.624 15584012.14 13509237.56 19885125 22361634.56 14730545.87 20010370.15 18683181.21 16224956.46 22022420.66 23674644.95 19633996.64 15079030.8 ferroleghemoglobin 1138565.799 1331103.753 899207.3382 1061667.524 933659.4067 1993605.772 1777067.827 1576325.785 2659730.339 2321927.535 3243506.231 2117586.812 2025528.288 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione 9834756.73 10452612.12 9753719.28 12571486.72 9976568.108 15467334.8 11581560.86 20706857.21 21482047.89 16394095.85 18923082.74 18401049.45 20232055.36 (R)-Pantothenate 3009798.175 2783049.922 2984786.742 3291980.031 3425613.861 3438151.864 3070143.782 3454473.492 2407248.543 3546617.18 3353368.614 3508614.963 3515964.768 Allylisopropylacetamide 8989.38733 8974.914218 8820.161192 11089.21298 10972.7969 10276.43685 9930.030274 9759.14484 9374.499906 9712.653719 9585.341006 9341.177549 8941.082861 Miglustat 37181.53785 31466.0754 112140.7086 93924.80634 119702.6104 259930.7886 245322.9324 208954.655 193602.5664 707110.5651 1064358.139 1496971.778 849177.5267 1,2-Dichloroethenyl dimethyl phosphate 910099.8171 1116378.92 460210.5598 404395.9158 1065559.391 940903.7955 881073.9156 768179.9591 212184.8658 153782.1196 575728.4007 526539.123 337605.61 3,5-Dihydroxyphenylpropionic acid 202340.4066 418100.74 339331.7023 558197.5861 365228.7193 605058.503 363169.0059 425753.8488 353452.5953 548206.635 668153.4659 249136.2867 302718.6795 NCGC00160227-01!N-METHYL-NORCOTAMINE 30445134.74 148541945.7 178680962.8 214946294.4 182017148.7 297930423.5 234029520.5 154299824.7 123601258.2 552730129.5 318473750.1 96181017.25 129697807.1 N-[(2Z)-2-Methoxyiminopropyl]-7H-purin-6-amine 28061.93665 62734.46539 40723.31644 50413.45658 42916.97209 213757.4185 500415.356 90597.59248 1207781.451 794383.9008 1134830.821 1217298.223 6056760.274 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 84507.22481 87263.87475 99823.85207 168799.0435 300994.4485 396267.6535 320962.9348 583371.7304 356668.8428 197596.204 244112.4048 530343.5342 297620.8276 4-Methylracephedrine 4388426.931 3879227.94 2692437.451 3656297.862 3231100.008 4971895.232 4102405.609 4797028.195 4190733.966 3493701.561 3697283.954 11161820.42 11166498.72 2-N,2-N-Dibutylbenzene-1,2-diamine 294328.2975 338256.3872 457718.4578 599352.764 3388649.27 3136043.345 792630.0823 3443863.185 3643824.928 3272647.698 872147.6205 3369346.427 3537827.243 N-(2,3,4-Trihydroxybutyl)-L-valine 1248649.585 2965415.386 1465120.389 1733487.659 3519602.762 15690698.99 8411090.598 2108857.067 6338307.712 10649596.29 2503439.514 5234209.091 2557308.441 3-Methylbutanoicacid 29347420.81 46038767.03 43580115.4 89279931.66 68121392.54 76845863.66 11868925.52 66134769.71 58105319.76 81822646.1 63605225.19 44368700.58 29089047.83 6-Acetyl-D-glucose 62912.53141 84342.23674 78144.33283 89004.69119 82764.67673 104252.7042 89178.6867 96708.05077 89111.5373 113115.5717 108022.7966 300071.3382 117071.5794 2,5-Anhydro-D-mannose 24329.08502 56466.90928 57997.35053 200347.2132 131456.6365 472165.7279 532174.9241 379713.0377 478028.0437 799385.8875 1038796.527 1570918.176 1087259.717 dTDP 2172899.941 1978014.907 1938030.895 2147009.435 2220129.995 2212810.767 2199266.228 2115515.762 2188270.43 2306010.044 2206435.148 2342691.256 2206349.956 CLAZOLIMINE 309771.9309 1489958.414 470642.9389 2026875.59 1716680.826 2365769.314 1581223.104 2337810.95 2240155.86 1575222.503 2044559.537 1343077.422 1701745.866 N-(2-Methylacryloyl)-L-histidine 2117965.6 8377860.091 10016010.85 15590607.38 11889922.77 43712362.05 10132777.15 30139316.25 12926596.97 33784648.6 11515260.02 7291163.722 13943111.95 N-Acetylglucosaminitol 3092476.77 2828639.778 3011879.921 3316410.791 3407492.938 3469360.28 3433730.006 3536462.035 3462414.699 3578810.145 3417293.123 4884157.849 3547879.498 3-Amino-5-(3-thiophenyl)-2-thiophenecarboxamide 84202025.08 277849871 229212004.2 273845373.8 137184506.1 183818323.2 134000926.1 317808319.1 200400894 68843597.73 61599080.28 142232698.1 111789106.5 2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolan-5-yl]acetic acid 31466823.58 28409115.35 37491112.08 51145143.84 57281959.25 68450339.75 84569504.15 69759620.56 57870818.28 87381233.29 80493281.42 63564638.17 54172018.32 2-METHOXY-3,7-BIS(METHOXYMETHYL)CYCLOHEPTA-2,4,6-TRIEN-1-ONE 21573318.44 28892138.05 29977073.47 56912024.48 48710284.62 53443662.23 51222031.13 44218691.47 41682267.41 57141018.92 60267327.68 37757824.49 43481712.17 Methyprylon 3828396.697 9170577.096 10484464.64 10203486.71 9061293.815 11600349.34 16396424.56 8785223.869 16610957.12 8128403.724 11221697.14 12856243.19 11844385.28 Isamoxole 611161.0554 1003063.215 338074.2523 1553512.428 190825.8052 668712.1035 1017853.245 1021168.995 1001732.56 440053.8657 1449705.06 205158.2146 769723.0084 1,3-Dicyclohexylurea 1799814.339 3012648.114 2738738.252 49550673.82 1482779.418 2504674.027 37933503.7 39358012.39 36061042.52 2147461.538 2948700.116 1502373.127 2240573.038 1,1-BIS(3-METHYLPIPERAZINYL)ETHYLENE 86140.36716 116267.2051 160633.1177 115396.7194 176389.9962 200117.0049 145963.5909 105575.4027 125625.7928 177126.6469 108893.4885 120427.0119 138498.6281 (2R,5S,8R)-2,8-Dimethyl-5-propan-2-ylcyclodecan-1-one 12018739.51 25187438.13 25294562.94 36658645.98 36093063.68 33888755.68 32581420.28 37395238.55 29265774.75 42618793.13 46123915.04 28738883.51 28334866.61 Aciclovir 19127.86623 31229.25164 140893.4725 35199.90615 30272.59581 265615.8348 58125.28754 41169.3475 49476.99467 181825.2 656072.5765 2472741.663 220354.1785 Terbutaline 12398871.03 19197380.86 18570682.02 37806536.21 31816756.87 29702769.28 22500972.59 29127101.84 24789997.34 23205619.4 28064237.9 21278654.5 20655037.82 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone 382237.3937 547190.1662 455277.7495 525521.0054 430165.2984 467770.1952 424530.7224 421738.5012 401693.5739 607692.6439 671560.8411 292787.1438 324411.3804 1-Methyluric acid 108229.014 119062.5424 109502.1183 116311.4023 113495.7047 111099.3468 115452.1396 115754.9954 129211.6022 313168.9661 144955.8684 489010.2558 292798.4584 N5-(L-1-Carboxyethyl)-L-ornithine 12157882.81 11885173.36 9231887.401 16075214.33 21169248.16 41011959.84 30559817.86 23222236.65 22321103.95 30322996.32 29601862.04 13421227.74 16524785.49 Porphobilinogen 32865.8925 74187.03512 62084.43037 104610.8732 161842.1499 334532.0913 39710.17885 43426.18987 55391.04169 107757.5879 175317.6032 64068.43214 42494.0844 1_8-Diazacyclotetradecane-2_9-dione 2313810.999 7232415.584 6665811.216 12038827.94 9762069.348 14966225.43 10376332.97 9192885.791 7212574.251 6614407.067 21314922.54 4020454.894 6627310.127 1-(2-Chloroethyl)-1-nitrosourea 81571.93422 90200.56156 80045.99168 102785.609 88953.64423 92703.89326 84295.14403 93242.66978 90313.3249 99315.84333 98353.26361 79632.29825 80389.0863 Adenine monophosphate 33522983.77 45808161.32 21764738.64 9162100.331 7149824.845 8546305.482 7303952.922 8799089.852 5802805.081 6201680.133 9294288.973 4694142.078 4359859.241 2'-Deoxycytidine 4653170.456 9348340.913 10098507.06 11077982.49 11830834.73 14309258.17 4874476.065 3325799.812 7546853.443 3810712.403 3496051.851 2520630.676 5109529.729 2-Amino-3,7,8-trimethylimidazo(4,5-f)quinoxaline 43427.43194 81029.37357 66803.33742 89833.84248 121754.2362 113895.6114 101831.4773 81919.06994 80175.32225 107173.9562 130788.7888 118964.144 114237.2275 2-hydroxymexiletine 95193157.55 171126683.4 125915129.2 183337380.5 187732909 233436043.8 134103700.1 246145960 70915714.32 398946683.9 342088229.9 159909647.2 120054146.1 Andrachcinidine 213695.3553 292362.5705 316726.3185 511158.2794 445481.8642 494670.9422 532496.8645 461084.4955 408897.6335 495659.9216 437894.5094 560679.7184 483805.9114 Urolithin A 7495026.624 9761978.178 7061014.981 3117517.893 5293006.053 5553922.362 4473820.776 5940119.809 5131816.458 3682487.086 3280017.604 4739148.005 4526579.908 3_4'_5-Trihydroxystilbene 12756602.55 24328596.27 15484796.74 987356.3921 834040.7242 1260635.071 973989.9554 1111757.103 1322232.189 1118147.189 3297833.782 2900172.976 3143911.767 Morph 2636454.464 6981246.361 1464329.027 1331564.483 548193.2764 501899.4188 610401.3636 199411.7604 469218.9669 327913.2041 284435.8081 242932.1652 297588.4944 Leucylproline 155478724.3 239356429.7 181326335.3 159019766.9 112743186.1 228316733 178514173.9 176401155.5 177507159.1 209265658.6 216180293.2 140600382.1 165544546.1 Leu-Pro(Leucyl-Proline) 6271700.71 10202534.12 7901974.656 10811288.36 7920111.631 15545497.54 10733271.82 11187360.89 10998898.05 13522539.87 14916430.51 8710480.815 9651891.283 Orciprenaline 53200063.21 82987965.35 77609509.37 190382929.7 100854333.9 87105567.87 103285184 93071426.81 97715659.62 107096243.7 127956418.2 73804394.89 79020414.83 N-Decanoylglycine 8003531.309 12960483.76 10701529.97 4088650.707 8820051.157 20992462.57 11107429.2 8131331.5 8399229.524 7093693.664 7121775.328 4334270.18 8575729.569 N-2-BUTENYL-N-BUTYL-3-OXOBUTANAMIDE 68376728.04 101182055.7 93687347.35 173561906.6 102782436.8 156587092.6 118565611.3 142571156.2 114142843 142959062.5 166338420.9 62322861.92 76280797.03 2-AMINO-3,7-DIMETHYL-6-OCTENE-1,3-DIOL 339258.4853 550329.1205 806439.5702 585110.391 1739062.201 482539.3734 1389146.11 1345886.357 380233.4143 568626.0993 1612530.636 239623.2748 213965.4133 4-Chloro-6,7-dimethoxy-1,3-benzoxazol-2(3H)-one 150208.2022 129993.2288 171618.2037 4633419.903 5545780.883 4177000.2 6020282.418 3820957.102 4966361.555 2880143.023 3290914.661 5724175.416 2749770.84 2-Hydroxymethyl-1-methyl-5-nitroimidazole, TMS derivative 122012.8634 179578.1973 142162.5249 73391.89298 64138.19579 146555.6573 167632.7529 846222.7375 75711.53028 189692.6945 157664.7511 267081.3995 75468.68416 N-Hydroxy-meIQX 220621.4835 826002.0153 385918.0795 108715.7288 96248.59896 619310.5188 259302.0406 117345.7079 113026.812 163630.2887 142458.6178 85776.02708 99911.29834 butenoylcarnitine 42077868.19 131207836.4 111241150.8 259173736.2 129782265.3 191043856.6 82302680.73 183477339.9 111237827.8 174391337.2 245850346.5 150851799.1 139366155.3 Butenylcarnitine 6585624.367 5512391.296 4018445.631 8951272.158 6179627.133 10952933.55 8307491.554 3530081.446 5961408.047 7248800.146 9647638.999 1150307.673 1572768.822 4-Acetamidocyclohexanol, (E)-, TMS derivative 2228331.053 8809162.474 7415360.145 3921249.055 9978595.287 11645056.4 9924532.75 10806060.6 9053381.831 10802163.98 13081607.42 7180558.571 8301898.612 10-Hydroxydecanoic acid 23652761.04 40566080.23 37395356.74 91544930.61 60089258.53 98686768.83 64686628.45 154135832.7 55655473.04 189250256.4 120467234.3 34743088.48 45428815.82 Cer 10:1;2O/2:0 17013302.57 30226100.01 27266515.44 69331367.76 39239683.49 72396045.62 47731683.69 137265324.1 39144976.9 175474455.9 90924800.95 21168904.13 31892239.74 Diethylamino nonanoate 6615015.63 12333684.32 13835848.9 23204578.62 22226964.93 21234631.45 15986854.02 11178195.11 10783336.58 34400857.78 19175442.94 9107026.171 15280114.61 CerP(d18:1/18:0) 612957.6914 1064634.67 1274604.321 2226059.721 2535410.731 2674292.889 2278391.237 1268404.377 1826982.627 1937760.402 1724848.262 9130194.943 8867439.711 O,O-DIMETHYL S-(METHOXYCARBONYL)METHYL PHOSPHORODITHIOATE 7429881.887 11031499.45 10299633.86 69890910.36 67065009.04 36514938.76 47921363.7 53020430.88 54774462.21 47640519.73 40605463.83 61686877.73 55472121.69 D-Xylulose 5-phosphate 126941761.2 163227009.5 117088939 132151668.3 125182412.4 126022386.4 131105889.7 111175657 109504965.1 150453689.8 152297991.5 97453705.67 125805073.6 fluminorex 1133258.899 451538.6841 881606.5571 912141.5688 1007906.394 1163028.196 1113351.018 1280337.41 1443512.169 561236.8957 2324134.552 1139214.503 1268940.88 Pro-Asp 7978713.984 15518922.43 12014589.76 22147417.73 15143857.98 19574453.21 15902898.63 19376361.44 19421992.58 17533290.92 20781688.36 11489563.24 13117409.38 Valyl-4-hydroxyproline 3718107.372 13393020.74 5342944.614 24980255.68 14884018.31 16108515.53 11365186.84 8710296.824 8779294.243 10610719.02 21864574 3636323.16 5212569.596 (1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide 49044.92937 64561.58618 68903.15514 158273.2025 384679.1324 1450649.712 1695691.455 837833.9323 1354663.081 2276872.19 4341408.53 4975421.921 8277067.663 Phenol, 2-(3,7-dimethylocta-2,6-dienyl)- 6700056.145 8040592.814 8673756.4 15186241.56 13874512.44 12583300.19 10518446.42 11908080.76 10601503.71 15490643.15 12520139.06 10163182.71 9727964.65 GUAIAZULENE 7342402.021 9398852.076 9283594.194 17247575.24 14280895.93 13822969.65 12727778.23 13142797.02 11326267.07 16145595.84 14220633.24 30419990.11 11071537.44 2-HYDROXYDODECANOIC ACID METHYL ESTER 2094401.055 3000843.774 3768875.617 8701596.689 6199869.927 15237611.03 10111771.62 13429111.3 6304522.857 15353911.25 21288032.73 4746961.997 5925371.001 Cytosine-5-carboxylic acid 55016.55455 74917.67463 117808.7263 180913.2625 181194.0738 158169.3876 271177.9337 209927.3952 159156.8718 322556.3994 250658.2587 348839.126 277672.372 ETHYL MERCURY ION 540603538.2 591155780.3 659592323.5 1054955401 1004602286 877748702.6 727266458.2 907851552 876672017.9 969071849.9 1017098812 678544089.8 727596723.7 2-Oxo-3-hydroxy-4-phosphobutanoic acid 788132.1395 1563484.594 819665.3728 661276.1231 554965.7894 743957.9036 625195.6145 649136.7577 718263.2623 791469.8186 761798.5847 690285.2576 723428.5073 N-Methyl-L-methionine 562637.9 798057.2018 720588.9274 1077284.532 1016723.312 1136492.676 1012482.298 1087097.161 979230.3855 1141277.03 1029896.859 1093395.803 1110198.095 Butyryl-L-carnitine 294918896 599748780.4 432833788.9 190363419.4 155991609.4 411516004.7 334300602.4 380094563.8 402536385.1 561455139.4 609018819.9 211197962.8 260590633.7 Butyrylcarnitine 823707147.7 1353276548 1154820999 478243140.6 389488509.2 962521313.2 772503457 893802101.4 963073450.3 1368866272 1507935225 487778742.6 591739673.3 alpha-Pyrrolidinovalerophenone 72487.05362 75778.21024 81783.75034 87793.41493 109617.3632 103920.7124 143913.4886 84639.50825 143600.6085 114922.1287 108477.8876 87630.0672 160452.9737 3-hydroxyocta-2,6-dienoic acid 2441023.556 2276801.863 2406792.061 2723100.438 2807102.642 2766351.432 2843898.718 3202204.309 2716800.721 2818560.815 2902668.729 2700490.217 2735466.899 3-(3_4-Dihydroxypyridin-1-yl)-L-alanine 349662.581 1119343.841 1555839.364 1538749.056 1042878.651 1211246.566 951300.7291 536225.2691 1195615.647 798760.5603 916022.481 246862.9534 288045.5999 4-(γ-L-Glutamylamino)butanoate 160963.5475 194525.2933 223792.4582 141041.3731 101991.7121 1007879.979 1085263.782 277073.8998 723526.6205 1382731.927 2261374.843 2392113.494 2388243.274 fraxinellone 5612185.561 10970485.79 7806836.862 15755092.97 20198524.19 15672276.87 17660431.9 11293283.91 13912469.05 21026224.3 16772585.48 31834596.82 16416704.52 5-METHYL-2-PHENYL-2-PROPYLE-4-HEXENE-1-OL 56670037.49 70309660.8 87503846.73 111120429.9 112809174 139594782.7 118338518.4 153443905.3 126166381 194490686.5 146664113.5 111486026.9 137934187.3 Phosphocysteamine 60237.0452 217284.7055 229249.5532 49868622.87 54784645.73 38030797.33 63149879.04 45970434.15 55672878.04 46508775.5 29865927.03 29841688.84 11361096.73 4-(3-Pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-butyric acid 185695.2606 424105.3111 397301.28 417615.7033 330372.6074 431583.4658 274681.153 332389.4832 279558.0368 295768.1017 272530.3491 203520.2098 225273.8623 Ser-Gln 3435752.841 1067265.644 3977592.186 3067791.437 4093594.61 2502191.656 2991774.972 1827734.561 2814934.626 2588468.885 1758446.37 1458539.742 2056041.034 N-a-Acetyl-L-arginin 577072.813 957472.9324 650383.6588 187859.4181 172861.9119 717256.6401 440187.6818 654647.5127 681520.9202 991438.5269 979999.7646 386760.4985 536705.8362 Ser-Glu 11999235.66 29070647.39 20845355.09 32018138.59 23492289.16 14655496.16 13525865.92 25734175.29 29899645.07 22942598.29 25456184.98 13047974.79 14260550.79 2,6-Diamino-7-hydroxynonanedioic acid 19294.20145 19995.02367 33578.39735 28363.98773 27207.27483 26402.37722 25928.78642 23050.27301 20781.25061 24239.04045 22433.32757 22305.9085 20236.69697 Pterosin G 111767372.9 144336933.7 171923088.4 227413161.8 234994702.4 227586341.1 222348303.8 231904906.9 194404300.3 277184571.2 279551286.9 188802281.9 220784884.9 1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol 256950.521 387807.0575 513767.2252 458589.6198 328676.9664 640338.007 598507.8976 617967.1356 589539.3918 1172786.083 397478.5661 2027325.737 3326449.846 Lidocaine 148334.7113 790112.3705 772351.4519 734050.1917 569738.6588 2161592.087 1340797.01 1277413.976 1169093.267 1733540.516 611836.033 581197.1022 609837.2165 Triethylene glycol monohexyl ether 9812312.1 13256436.28 11612282.55 26276732.18 17678362.19 19681807.54 16916913.65 17433847.11 16868257.93 22043841.53 24174500.05 14325719.41 13811313.96 alpha-D-glucuronate 1-phosphate 338340.2771 1278411.814 2044304.332 3439234.062 2753756.083 5928857.345 3568256.363 2867392.493 2644718.2 8662083.474 8281349.861 2018129.814 5861379.697 2-Amino-5-phosphonopentanoic acid 81678876.78 53746262.5 65688761.25 132090963.5 129982868.5 105460087.5 98153605.31 88502179.95 87578325.69 85006960.28 88670462.13 67932537.87 72134389.81 Carboxin 761140.8086 474588.1657 586852.2169 630529.2631 478553.1914 746466.3974 555438.8335 515582.9737 641428.5943 1097183.315 974527.1953 547844.7004 789499.5342 Diphenyl sulfone 784106.389 905005.5732 692426.1595 829227.4309 741534.2941 794400.9723 628937.0768 678015.5889 679389.2634 689841.8115 773385.6556 763925.9454 829100.3271 [Similar to: 2-[(1S,4S,5S)-4-(Cyanomethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-cyclohexylacetamide; ΔMass: -81.1085 Da] 5199697.161 23930683.68 19120660.28 4634891.78 12763687.63 6246418.557 16663507.11 7174818.501 25719154.97 19298321.43 26567245.26 11757068.16 17231771.45 Procainamide 759311.1812 778040.0506 140370.4077 121729.1102 142300.2743 241074.1492 90620.69242 146191.8017 880073.0259 127954.8359 850199.6541 135837.1606 863682.3813 2-[(1-Oxido-2-pyridinyl) dithio]pyridine 1891241.738 1785915.654 741451.8408 1078645.189 667357.4555 787122.4289 802712.5344 890229.336 982719.5736 3608503.212 6251696.581 294043.4972 585102.7473 (1Z)-2-Amino-4-methyl-N-(1-phosphonovinyl)pentanimidic acid 9239952.474 15665430.6 10216332.55 8471831.392 11058366.4 9766818.537 4872559.041 11586142.1 10312761.37 21378445.82 21472533.33 3136875.05 8985057.497 3-Dimethylallyl-4-hydroxymandelate 6188902.082 9693966.957 8917346.127 14010476.4 22810688.58 14435118.47 11694258.14 11559408.8 16552564.66 12884882.67 8645970.399 13814905.71 15781143.13 Butyl cinnamate 99139356.03 154043719 156675717.2 297957751.2 250480730.7 269672666.4 221117585.5 247882766.2 221028106.8 305349544.7 323933044.1 184173617.9 187746097.5 Heptylparaben 666537.4958 1552874.277 603932.5898 962430.6421 767962.041 724084.0931 2635674.225 593652.0822 770127.94 2370701.694 1141892.74 608752.5184 630314.9197 4-Methyltridecane 48517.95346 77176.50623 80345.08593 92445.10453 81633.35573 139102.3628 123798.3031 99467.77032 96634.07638 138605.5941 159250.7357 146315.5203 143639.5056 1-Dodecylimidazole 371013.6919 503136.6312 465508.566 941789.026 1072201.741 1180618.989 770285.9166 1132865.696 7650954.939 1036480.943 1159082.356 905427.4924 860067.1648 DG(22:0/17:0/0:0) 8679442.081 5436745.263 7323345.64 7922963.556 6576200.22 7534598.236 6280492.636 7001160.475 7321416.654 5894932.447 6608685.83 6765844.439 6918984.71 D-(+)-Galactosamine 15868633.26 48259250.67 44311093.91 17139970.67 14233614.82 23428070.34 26360494.81 17789040.47 18302486.48 12724249.41 17426353.07 11624791.8 11563003.52 N-Acetyl-D-glucosaminate 14134964.5 21451945.08 12319195.38 2681636.73 1849698.478 2729793.028 1490723.817 1126556.745 2099305.779 1972397.168 4074204.713 1718166.321 2164457.557 6-Pyruvoyltetrahydropterin 172444.6451 246862.331 205396.4663 237086.3886 178023.631 211032.3758 190785.4509 189288.3358 181222.2115 274157.746 288000.7964 129144.5798 135822.3884 2-Amino-5-benzoylbenzimidazole 33615.18602 59102.03775 38571.70632 166129.5253 159163.7277 100812.7061 119545.1601 116856.1427 104943.7238 642141.7711 64554.4046 770367.225 97291.98307 2-Methylbutylamine 72129.00082 79282.14921 85782.56986 155432.5738 138357.0053 237905.9081 230899.8406 223145.6929 187007.4762 395357.5955 440676.0064 436878.0036 371442.5178 L-(+)-Tartaricacid;Diethyltartrate 67473.20951 65387.8739 72534.71082 61033.23131 60114.40376 57211.93725 60742.94477 61408.55859 59018.30653 56581.73951 56944.1198 60423.94518 59163.53318 3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate 28617572.87 41668572.7 40814965.08 91054329.76 74649674.44 66404479.06 73060272.19 65258903.21 60230264.48 66608835.38 69955490.71 123824046.5 46655371.66 Pentaethylene glycol 399963.2862 631174.0063 486192.3107 703184.5576 581525.3575 729106.6736 583913.037 604395.2429 507051.9518 702462.1202 796261.1035 400825.2975 432640.3077 (1S,4Ar,5R,8S,8aS)-2,5-dimethyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-1H-naphthalene-1,5-diol 30316.00702 102008.3981 36930.25296 37117.80348 65344.88189 35398.86479 48093.79342 42413.67381 56151.8549 403830.4486 36389.738 36667.52282 67292.93377 (3s)-3-(Benzyloxy)-L-Aspartic Acid 4388668.345 7906692.93 5778942.734 7204268.884 3130008.19 6330545.233 4834441.399 6486721 5555816.712 4893344.138 8783371.64 3520168.158 4309729.489 4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile 15129701.99 19055492.21 15559934.58 14609259.54 10934396.56 12908814.48 18509896.91 16985273.74 19474682.42 20592945.61 25680065.59 13892973.85 17787206.59 Carbazole, TMS derivative 25600473.74 9472006.767 11336998.21 5871036.673 10038043.75 3152210.204 14378753.46 29184079.83 44540234.36 8721002.94 4117191.232 26491725.15 26468897.04 8-Azabicyclo[3.2.1]octane 118489.3933 218786.4069 121847.7866 270319.2907 277071.3038 241590.9065 383660.0693 266283.1354 202955.7644 203666.3003 313411.9844 177238.7168 208340.4475 Alizarin 5813081.543 4322631.344 2499650.609 2874724.035 4517151.977 3338920.983 4870237.638 2774380.296 2451767.16 1951115.3 1787724.42 3827740.55 2904228.748 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridin-3-amine 1529880784 207090829 206727527.9 150688549.4 91298555.46 183689214.3 90993856.76 77328788.79 92719953.52 135195409.6 135384308.8 59605951.75 83918705.31 diethyldiallylmalonate 143202.886 176069.3696 138530.1103 199901.5381 347879.1815 694282.1766 261311.7326 287471.29 257609.8897 269183.6164 215305.43 169769.9449 427436.3835 Pirbuterol 46066683.89 13612993.3 53193613.03 51698498.11 51756186.11 17969867.59 60887124.99 60940756.31 64062532.41 45746518.94 17498536.06 36834750.48 43042239.59 (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 3-oxobutanoate 431543.0897 469482.7892 436040.4844 634939.3262 724142.0682 568505.749 578345.2209 613260.2629 583746.9304 559257.8224 655925.7674 637779.6919 602874.7719 FA 15:1 29945976.68 29280051.97 31539739.93 58939536.33 47960053.42 68465751.04 72627139.42 64641440.47 65213294.35 56644157 74978733.61 62439325.75 60986035.17 4-Iodoaniline 13433.84583 16879.26258 17045.64652 17288.96388 14590.30797 15985.23865 16153.58519 15865.92578 14896.95353 16488.69272 15992.51692 16606.17103 15811.32179 5-Methyldeoxycytidine 46478.95615 111379.0439 65576.55022 78798.51319 69006.34799 191806.2876 260881.1307 88974.24856 100413.8537 289792.0725 1631793.314 900638.3518 793949.2442 5-(cyclopropylmethyl)-6-methyl-2-(2-pyridyl)pyrimidin-4-ol 5803741.186 11206084.98 9578344.567 5181264.509 6173661.359 1986491.021 2691850.336 4251081.576 1383073.148 2698628.506 4167164.922 901685.0682 1074455.372 (1R,4R,5S)-1-[(1S)-1-Hydroxy-2-methylpropyl]-4-propyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione 5096639.027 6864163.208 6678518.941 14934716.9 9139624.212 10169613.37 12029331.39 10761968.28 71039583.38 13295912.2 15921684.43 6698355.927 54699446.08 (2S)-N-TERT-BUTOXYCARBONYL-2-(2-TETRAHYDROFURANYL)PYRROLIDINE 185568.3591 498903.963 300273.7208 3835817.723 780835.1371 751897.3185 651093.7036 1091902.403 826089.1596 1351633.092 3565613.116 437286.7618 325538.6406 Dimethylethanolamine 3154836.857 15550786.01 4810523.795 31578493.73 22359959.82 26991577.55 20715607.52 23471040.12 18240925.39 29516613.57 32852105.22 14384667.43 15326588.23 D-Glucose 1-phosphate 155930778.8 537508373.1 451157858.2 558856221.9 283689314.7 355217056.8 262635786.7 649024258.3 415612782.9 135789351 123196617 281955199 233604167.4 6-Deoxy-5-ketofructose 1-phosphate 155419369.8 565447179.2 474128103.4 592181260.8 297429773.6 376648387.8 280282132.5 687903822.8 440730173.5 144333184.8 131770498.6 297825394 250148315.5 2-Chloro-4-[(dimethylcarbamoyl)amino]benzoic acid 1523990.246 1393969.867 1472193.725 1638535.488 1717056.892 1709720.596 1690423.91 1742788.725 1688788.527 1746167.026 1684061.603 1707791.676 1744858.597 Creatinine aspartate 3246679.21 5241592.088 1596307.34 1382342.798 1420307.561 2905385.46 2061952.15 1415243.355 1443199.991 1500845.779 1385490.96 2340319.727 1478823.337 Lumichrome 203949.9664 334601.3881 102682.6134 153860.3616 527046.4701 1193915.062 1010111.558 1021580.762 1203942.641 488229.3355 571614.956 2197075.169 2552921.361 Thymidine 8775383.66 20135792.64 15320186.72 57418714.84 29900637.88 91160493.08 12239294.36 8267280.094 35354637.94 17042707.61 19165971.16 16789613.72 22664784.98 gamma-Glutamylisoleucine 377622.5124 679063.5419 613119.0661 649898.9237 619410.6118 937761.9017 618367.7436 564103.8666 532859.7011 632022.1057 659365.4362 612642.8835 652148.0429 (Z)-2-octylpent-2-enedioic acid 614769.2702 638772.6245 864652.3371 557193.6023 450535.7641 541047.4927 522890.3786 548566.5362 755928.45 600672.0543 553168.0662 418614.3422 396631.0702 N-tert-Butyloxycarbonyl-deacetyl-leupeptin 791941.4088 395181.71 1219143.388 7480992.475 6774096.844 14240694.61 9377776.384 4538163.084 3610282.476 2943115.337 1337155.522 2073490.636 2499649.511 METHACRYLIC ACID 1,10-DECANDIOL MONOESTER 3828850.019 3535552.16 1772167.974 2253207.065 1883387.989 2231015.675 1754952.606 3359717.913 1843165.803 2897466.909 1528563.732 1609977.271 2366353.942 [FAmethyl(14:0)]12-methyl-tetradecanoicacid 13508385.37 27452181.2 26304965.01 36755700.03 35692114.98 33098847.03 36547927.13 10863197.59 32051979.78 41858941.94 46756742.45 32029153.27 32837050.61 ethoate-methyl 1045874.385 1187412.262 1186761.891 1158710.344 1245362.831 1145881.82 1221561.475 1186857.458 1165555.987 1163648.435 1148186.519 1297179.486 1313861.223 D-Glucose 6-phosphate 3439517.887 5924087.817 3088149.4 1838581.193 2714066.882 1367731.856 1609799.741 1148372.766 1319902.171 3284003.649 4722416.86 818946.9332 1401899.611 Maculin 37165677.15 99946546.07 58326073.6 94457249.66 63936710.21 177267610.4 124227533.9 98860522.78 91609504.24 113742146.8 119583984.4 59366518.64 73665050.16 Cytarabine 20843159.19 27024636.18 22007721.44 23996258.28 31634733.57 25401366.48 31366426.14 40021013.04 40687784.85 37456536.3 29052489.1 22822286.4 21246875.4 (S)-1-Pyrroline-5-carboxylate 3341898.754 8092800.288 5395330.036 931342.0324 807420.6905 881267.1717 761791.8517 942934.9873 871890.133 939346.0773 900174.2056 868519.2828 918152.7239 Tiglylcarnitine 15992397.51 22161560.22 20851525.95 4820489.292 5831064.325 8981869.894 13816381.73 15246202.67 17850096.2 15185195.08 16301030.7 7869271.561 10079542.15 4-BROMO-2-NITRO-(PHENYLMETHYLENE)AZANOL 13021.79657 665125.1522 18396.28859 22005.82859 18487.27296 29809.62533 24491.19209 22975.52638 23061.14918 23913.0861 29057.28542 25627.81738 23151.64473 L-Rhamnulose 1-phosphate 859404.5707 1459550.781 858477.6462 864188.8749 1038495.793 1102362.212 1097267.662 1469096.639 1086252.557 1661246.429 2103004.616 1464288.369 1286123.468 (5R,6S)-3-(Aminomethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 499764.8453 776105.0803 565982.5054 751308.8244 631461.4896 746319.3079 629743.3425 640692.7836 583834.0401 701371.2186 1088986.195 504995.6186 628782.1287 Uridine 192356324.3 395978972.9 279869967 274103594 202009358.4 199533688.9 164180056.6 240223917.6 239879032.8 295002951.6 301770573.7 168139817.8 198280848.3 Pro-Glu 6481007.5 13400857.72 10625567.45 20908521.8 15055274.83 14164910.03 10637090.86 17458966.57 16355566.27 15569152.09 16722371.81 7162275.766 10110416.03 Azepexole 7131363.056 9887786.872 8276219.178 9576348.247 18052958.58 6810227.253 10044283.81 9175489.933 6970478.221 10436532.17 11765097.56 6012117.457 10934722.72 (2R,4S)-1-Tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate 6190712.131 5929484.521 4643919.82 6769040.566 2971578.782 16811207.17 7684323.679 4761847.011 2842857.567 8559402.431 10303673.49 692808.5951 1912867.842 Cer 8:0;2O/2:0 9704766.478 12744243.13 13685643.96 18490861.95 15748033.67 12713385.37 11563098.98 14107765.26 8152574.306 13710585.05 15285643.2 6814112.062 8369856.75 N-(6-Aminohexanoyl)-6-aminohexanoate 4953809.62 5935754.094 6260319.661 5512658.488 6546188.462 7656328.302 4690395.185 5098009.424 4321248.704 6250683.231 8178829.476 1945205.647 2141423.459 Xylometazoline 153063.6248 151606.5969 156247.1176 150186.8491 247350.0008 225282.0529 1854849.361 228861.0691 198025.4532 245953.6797 203738.8387 237630.8571 220064.1739 1,3-DIPROPYNOXY-4-CHLORO-6-CYANOBENZENE 7348025.964 6175607.468 5340584.672 11653052.42 10159367.92 11288045.78 47627923.97 24015962.32 54127090.44 14138473.33 10545108.54 23237026.06 23228000.54 604P380W06 488242.5386 1038333.135 2385551.653 722673.1901 677017.128 393660.076 588834.6763 255151.8774 875330.5061 580345.3008 797141.4111 621020.9617 689469.8963 3-Aminobenzanthrone 137566.4612 377503.1608 256956.6348 251895.1806 166709.7376 272692.0569 207345.1974 161698.2517 342890.9538 541840.7714 564052.2706 157686.8687 154916.2462 (R)-2-(4-(Tert-butoxycarbonyl)morpholin-3-yl)acetic acid 1705463.404 3744751.554 2884939.609 3849115.97 3845992.236 4315276.449 3301922.364 3139264.937 2943039.946 4049501.962 5658149.837 1623761.321 2066052.612 Ala-Arg 3817478.159 6568000.385 6004491.77 4494410.291 3523471.075 4223837.716 3820894.075 3914471.825 4497091.296 5503616.826 5018096.015 4198922.123 3840496.984 2-Methylbutyroylcarnitine 23254638.29 20209874.11 10789518.41 5356907.862 8640134.183 18278021.3 24981493.72 14062725.1 14004582.97 24799639.65 16902816.48 16922828.74 15066697.68 1,4,8,11-Tetraoxacyclotetradecane 115706049.1 228693622.1 151382346 79753273.56 49866401.97 200849366 156853290.7 114957751.2 98662706.66 230997381.7 276228267.5 66039563.57 69157659.24 3-Hydroxycyclohexanone 116422892.9 229953253.5 152255990.4 81111678.5 52110959.68 201974831.1 158835866.8 115759453.8 99706283.4 231672036.3 277529977.4 66856740.79 70183903.97 Val-Lys 2995190.933 2865182.653 2765418.859 1028291.287 863019.4325 1093472.529 1058825.59 759050.45 900958.0307 754221.6814 1169472.124 976435.382 1046503.549 Mecamylamine 1270989.415 1769804.973 3789283.87 4777666.839 5749298.342 4361364.741 5470931.603 4511144.281 3266607.606 4897981.129 2336881.279 3137530.209 3382919.191 Tetrachlorohydroquinone 89076.98992 411025.2721 1004293.863 136783.3443 99406.28922 135187.0481 116939.7458 102955.8537 111236.8175 791398.2894 121672.8895 1707857.049 1515980.696 Guanoxabenz [USAN:INN] 2342903.931 16588033.14 12087778.38 21796261.34 14480847.9 4412191.377 3382995.48 21530263.08 27456304.96 7035359.455 9197140.727 2694323.048 5638861.135 Arenediol 99958.60374 198366.9371 149682.9712 803412.3738 570865.1478 468980.2799 842604.4685 601946.0114 661613.027 1016143.313 343725.0004 724630.4526 4587727.428 Isoleucylaspartate 66522.66607 84208.66113 85759.89189 102651.1789 95207.4553 1378236.24 1533323.186 553001.0218 569776.2052 6325821.282 3153883.221 3740120.978 3924602.635 L-N2-(2-Carboxyethyl)arginine 1636725.346 3220790.838 2879839.314 3710297.206 3706765.816 1446561.671 2668465.321 2773361.606 2717032.601 2029209.169 2871227.829 1595032.009 1701987.947 Valylglycine, TMS derivative 363813.1431 303283.2489 198533.1168 128389.3199 548475.425 164829.318 110628.0533 222648.3196 164537.1816 569785.1201 268156.8601 139541.7707 257467.7602 tetradec-5-ynoic acid 440184.9297 928591.1231 1165020.022 1238024.32 1137991.774 1306734.51 1163775.487 1066482.275 960422.6698 1163070.305 1183068.579 1017125.626 1021751.209 1,1,2,3,3-PENTAMETHYL-5-(1-METHYL-2-HYDROXYETHYL)-INDAN 3493854.844 3463958.321 5291281.262 5103906.892 4978453.635 7055012.901 7056839.098 7779852.681 6801399.968 9449894.446 5822462.428 7272379.736 8004419.184 HYDROXYCITRONELLAL DIETHYL ACETAL 11082825.17 15175683.26 18741025.82 21755608.79 22777220.47 23291251.26 17478888.45 27338474.82 20248424.71 22204712.84 22494293.2 20397216.38 18656746.77 dIDP 4372696.708 3940491.777 3950714.729 4504811.605 4619375.762 4482146.801 4529482.535 4418194.436 4464597.232 4638233.704 4508920.918 4714381.069 4629241.318 5-Chlorosalicylanilide 8154679.397 23288927.62 36355869.06 4806024.079 6112389.899 6104245.068 3758946.201 3523079.391 3591667.026 9855435.272 9138332.07 911297.7963 838249.8224 CHLORO(TRIMETHYLSILYL)METHYL PHENYL SULFIDE 42534694.27 5057673.648 3345621.565 5039930.082 2856176.42 2452247.537 2484207.685 2606945.047 2390975.182 2572798.639 1842615.423 3880449.911 2469851.089 Linamarin 30893690.63 101268462 30463969.43 547325.9482 417383.5122 427007.7425 442784.6512 440422.077 431384.1529 474624.199 473599.4283 433483.9567 485415.3319 Thr-Gln 13639.21476 13937.44604 14433.12865 17085.4171 17261.65222 17551.15395 20760.1183 16563.65459 14957.2221 15782.12013 18221.69599 14779.2269 14191.73192 2-Ethoxy-1-ethoxycarbonyl-1,2-dihydroquinoline 1034501.683 2416340.13 1914640.345 566049.1901 1873662.064 3695809.967 4040984.781 3533499.024 3709495.861 6389194.888 4358642.182 3861648.938 2194424.735 3-Hydroxybutyrylcarnitine 81186965.66 135430856.8 76926322.3 40620814.65 26792119.84 61514528.6 45107762.47 65821086.07 116002808.8 112250508.4 128142097.7 20403685.44 36182381.05 Asp-Asp 5743758.922 11942713.36 10161612.39 11747457.11 8469297.055 10202171.32 7775484.192 9118223.782 9991678.822 9030365.481 11973379.82 5780964.239 6493036.819 3-Benzoylacrylic acid, TMS derivative 23729307.57 107276438.9 107102127.2 90246141.7 68799836.39 39461401.46 32156909.67 34687435.18 33692310.15 26627573.31 32060395.35 21709938.86 29352761.85 gamma-Glutamylthreonine 2040858.637 3452362.128 2625454.383 4293209.682 2482626.062 2554835.047 2849345.978 2872306.771 2663045.627 2065753.483 2472969.872 1103003.342 1990477.52 (5R,5aS,9aS,9bS)-5,9b-dihydroxy-6,6,9a-trimethyl-1H,3H,5H,5aH,6H,7H,8H,9H,9aH,9bH-naphtho[1,2-c]furan-1-one 19031248.46 18292226.46 20875675.54 30463918.8 39919641.53 45593182.74 36187918.76 44209799.81 39168993.9 37266413.03 44655545.38 34480629.98 40769707.79 S-Acetyldihydrolipoamide 2829437.223 8571593.404 8780393.635 7949689.211 5049851.166 8819851.387 6625013.232 6558566.441 8282811.732 11321451.23 13414075.82 5500343.215 11527098.48 Benzo(f)quinolin-3(2H)-one, 8-chloro-1,4,4a,5,6,10b-hexahydro-4-methyl-, trans- 1698261.645 8846139.795 8991327.197 7279499.793 5631436.722 2146251.798 2551174.257 2486529.533 2349965.783 1699846.526 1946287.724 1422500.536 2179487.481 1-Deoxy-1-morpholino-D-fructose 1076044.299 17626439.59 16608054.61 51109946.38 1563410.577 30042418.45 31048789.98 2467990.878 32082216.13 37491328.38 39023196.58 3861648.938 2194424.735 N-Undecanoylglycine 2434835.578 2875211.949 6254901.048 8688119.505 5020990.885 4145335.797 12503286.99 5466440.525 12240677.58 5564797.926 6608828.438 3461093.871 4092155.125 4-Chloro-5-sulfamoylanthranilic acid 163170.2862 175251.8114 166099.0667 1780569.803 1444348.891 733936.0074 1169890.102 1090647.362 1224771.078 861555.7855 785033.4458 1350045.106 5072336.067 Tris(2-carboxyethyl)phosphine (TCEP) 39458349.92 69994097.95 65647439.24 107097184.6 100960166.8 104825266.7 89134801.82 86732681.96 76748925.31 108788812.5 127645972.7 72054032.83 66825053.69 Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo- 30401457.05 99402819.68 45665739.94 51325803.3 24080257.29 19560067.77 27146790.42 19184379.52 27617553.62 94284194.86 105163626.1 18061557.32 20866278.91 Cyclohexyl trimethylsilyl methylphosphonate 1354660.914 1493371.242 2325483.708 1500384.273 1366756.73 1344018.791 1020786.881 579818.4064 1628319.87 952306.1796 1123598.832 280735.6879 326874.8797 flucindole 331264932 597088324.6 428598263.5 454605985.4 352624850.9 678233788.7 495206347.6 479086357.6 497959003.8 654102854.6 626195689.3 414013407.1 471683854.8 METHYL TETRA-O-METHYL-ALPHA-D-TALOPYRANOSIDE 174250.7783 773103.7618 400569.813 2196321.706 331474.6386 485740.9855 305011.5388 416404.8275 1525045.067 467096.2284 2251879.768 163085.9086 378663.9457 1-(2-METHOXYPHENYL)-5-METHYL-4-HEXENE-1-ONE 12036310.39 13921475.15 8948391.029 17931136.56 15571914.17 15663521.99 13968910.28 14605661.42 11999028.71 17134786.59 15352150.19 8223858.262 7292490.082 Trichodermol 239990384.9 282301178.7 325778974.6 657534429.9 667439660.7 150871396.6 523886069.6 316464981.3 461177907.6 472685175.8 374575150.2 205699811 338963643.2 N1,N12-Diacetylspermine 91518.51474 92835.9359 120599.8273 123830.3884 161426.091 174562.7887 136245.4517 124643.3731 143293.8726 131736.21 99375.78076 139978.6612 119765.808 Civetone 11933345.32 18866517.97 15133927.01 23309956.04 29388314.79 25805966.04 30117922.14 21277375.33 26080278.85 33702040.02 36431721.52 30234659.32 24060862.21 4-Carbamimidoyl-L-phenylalanine 6762519.153 11995204.68 11060757.41 17783156.09 17616359.39 17716417.21 14954932.77 14721517.64 12702886.85 17408670.99 21621263.16 12122312.63 10698890.56 flunidazole 36769073.67 81922389.44 72021148.17 22269750.74 14157663.76 37612146.1 39421509.89 45123976.32 43412069.3 57360592.76 40678322.65 28323835.09 24136363.61 Muramicacid 2046361.66 4205899.564 3310995.417 3777431.673 2679355.81 3728813.905 2624628.745 3318856.278 3793624.713 3544708.034 3755446.783 2021000.561 2439657.891 N6-Acetyl-L-lysine 544704.133 1485215.196 1824790.393 1340331.872 1143772.897 2192973.841 784130.9029 1192992.524 721419.6526 1417465.306 1585406.735 610814.9071 402035.8705 2-Nitrophenyl octyl ether 64563214.06 94692735.4 104706195.1 163814244.2 139400237.6 150081105.2 131556647.9 144427603.3 137259399.5 169829132 177801822.7 108932918.1 128047014.7 Arginylalanine 26940555.74 50882059.19 58055685.02 51780894.8 45912939.72 41318515.62 14187340.9 14882283.49 11123390.66 12255075.77 10154902.06 2964723.381 5621099.34 N1,N8-Diacetylspermidine 4203225.041 5643262.564 6285701.581 10825737.66 9552708.73 10876890.99 9086353.265 11458823.13 9150884.104 12003386.52 14218670.16 7077282.942 9008593.223 norspermine 115205.3244 161334.0657 175643.6829 381655.2177 399916.1712 470221.7637 655130.2176 611983.7094 1648783.089 658924.547 588237.0473 1938599.441 456648.4995 Thio-NAD 6740903.883 11412481.42 15979335.43 13307334.51 11887290.92 10187934.4 3520211.511 3788831.407 3283474.835 3469723.082 2761857.209 1083034.136 1210372.419 5-Hydroxy-N-formylkynurenine 134313.4351 193583.4663 183149.2257 233392.0386 188846.2518 205446.5339 186989.4846 217246.9157 203953.8083 208035.0221 225727.7353 179474.1484 176545.7387 3-Phenoxypropylene di(acetate) 2656520.645 4928868.022 4389663.664 3612687.472 3115212.06 2997678.458 3558166.711 4495624.009 2939546.02 17892624.91 4057778.895 1928087.255 7659134.597 7-oxabicyclo[4.1.0]hept-3-ylmethyl7-oxabicyclo[4.1.0]heptane-3-carboxylate 82290729.7 109859593.9 115677978.4 198370285.8 192846291.1 181755386.8 72809866.73 184931541 166142755.1 210166108.6 223264353.7 136147501.1 210432075.8 Dibutyl malate 7816015.787 13943680.23 16906825 16055845.18 12612309.38 11473016.38 3462043.421 4815554.8 3588227.389 3812857.91 2453985.646 698480.2465 1170967.465 MLS002639189-01! 315531.2782 1959376.793 2108023.583 4788923.37 6146217.475 4987423.9 5257387.867 6887183.334 5536131.841 5408626.366 5158161.151 6795669.102 7274975.165 (2R,5R)-Hept-6-yne-2,5-diamine 579060.3455 1139331.543 584583.8382 1205050.139 641927.0354 728275.517 531197.7843 979654.5362 1469440.652 644607.8902 859101.3914 482067.6206 2652421.451 5,9,13-TRIMETHYL-(8Z,12)-TETRADECADIENE-5-OL 4726210.898 12582148.01 17130370.61 22029511.28 19636320.54 14364900.94 15307002.85 24068771.04 13875392.73 21330101.51 24479192.66 20983066.73 13570311.54 N-Lauroylsarcosine 632508.6526 623494.2542 585782.9106 653924.7987 714381.1343 579768.9262 661864.5064 727939.9801 736487.5083 652582.6534 842043.5573 781564.2817 816207.2455 Daidzein 204710.2879 322877.505 288170.0275 349631.8365 290138.1608 350005.7823 362937.6539 328704.1786 353592.9982 370911.3078 388195.6272 355314.1461 397880.7784 N~2~-(Carboxymethyl)arginine 11593919.98 18776573.34 8668993.791 18770337.86 15187070.2 38581149.61 31338760.97 22713879.58 22733666.49 27504968.92 31392859.92 11487741.86 15254385.13 Pimonidazole 339947.7838 232097.71 249154.4916 152497.0975 159276.3474 254255.8917 160707.6637 503477.5331 367476.535 194242.5826 173680.4254 177907.8376 170910.3058 C75 trans 136659590.5 212676420.7 207736763 413544642.1 311920206.6 371330892.8 294282876.5 332122506 298385003.9 391225602.8 410608465 244023401.2 252105421.2 3-nonenoylglycine 10200715.69 13419992.04 14271360 27333344.23 23256502.82 18976280.86 17000404.89 16759273.81 18452381.32 20128327.8 20547849.73 14803202.13 16058594.47 N-Stearoyl Threonine 7768997.542 10309877.37 10244996.26 16019186.08 17155310.25 19321866.81 15742251.89 13385819.97 11641012.02 19893396.37 16967878.63 13469792.65 9995870.322 Palmitoleate 12478872.74 21404463.9 20116035.06 24910699.23 21130080.48 26522328.08 22404449.77 28035328.48 19455220.47 27262718.9 32155859.83 22091324.62 26852126.54 Ketorolac 1540360.9 2011759.094 1755187.452 2062066.144 1835417.667 2334725.686 2190920.848 2000544.734 2059573.756 2419250.219 2338249.861 1117347.362 1342839.403 2-(3-Carboxy-3-aminopropyl)-L-histidine 1870523.917 2524272.279 3130793.713 4973523.161 4449379.1 6496581.292 4507037.616 4329231.964 4356956.803 3064402.417 4771690.491 1441638.194 4412241.546 1,1-Diphenylhydrazine, TMS derivative 8681084.217 2446148.152 2310230.611 4772711.869 5232872.761 2230691.415 5656263.546 17194442.46 30610708.42 3671137.306 2127536.787 81633408.01 51938402.2 4-[(3-oxobutanoyl)amino]benzenesulfonate 1390858750 1966097666 1780652381 1617269303 1373508880 1876852557 1630825824 1679017971 1628389549 1815339624 1843774963 1327433533 1484878185 cephalosporanic acid 5329055.562 7087747.85 9763436.49 11145783.84 9461217.27 13201759.27 15210952.21 14362536.24 13369171.3 4728720.348 17010917.6 11837139.55 14830087.44 timoprazole 6530296.571 3135716.386 3610254.609 1291290.812 2827098.667 1318911.368 5764398.224 8421090.542 11798998.8 4559678.385 1376966.36 16426566.34 20558456.31 sn-glycero-3-Phosphocholine 5745281.887 28851553.01 22650231.18 11416060.71 7269518.757 16342130.1 13565798.22 14006597.39 26857192.46 8933436.134 8308002.803 4682977.673 5242381.068 2-Hexenoylcarnitine 10253423.33 12147508.39 11283711.06 6822527.802 5168764.932 8459121.813 7242611.279 7702534.059 7215528.903 8013764.217 14828965.37 4924369.085 5189111.296 Myristamine Oxide 151109.2013 198521.3233 199475.272 380409.3408 354139.2038 303676.0627 310960.5664 339838.7635 464034.4282 351994.0697 305941.1487 369787.7586 326865.9502 Methyl (2E)-3-[4-(sulfooxy)phenyl]acrylate 11693625.36 15866645.21 16287096.97 35681187.65 32916609.73 35205588.75 30096415.8 28744195.83 29782124.28 32975364.55 31830452.7 18617661.97 20057400.03 O,O'-Diethyl dithiophosphate, TMS derivative 12565845.46 17028555.5 16738860.99 14381671.42 13224196.51 17826150.25 16264263.37 13972318.86 14484635.93 17441108.84 18203472.46 12330201.9 13313127.89 Tetradecanedioicacid 290226.7856 73438.04639 50365.22761 41175.1517 37693.1969 41856.43043 36358.90528 52930.45547 35324.30587 77055.10771 40976.44396 193917.0646 39520.87766 γ-L-Glutamyl 5-phosphate 285031.4388 3227505.875 3206808.7 4889889.521 1022836.384 788020.6805 2875499.409 5721183.746 1685614.728 1242353.955 645871.0396 3096267.768 1442868.472 D-Glucosamine 6-phosphate 4845983.023 8938117.771 7083992.964 11084714.56 6981030.311 3784277.041 3594908.727 7524022.145 7589711.258 4478378.266 4745882.15 3853462.139 4574609.064 Ala-Hyp-Gly 46753.3071 60323.67583 56801.52139 152578.8868 47583.70783 170142.1988 55164.80158 57644.20379 57289.32006 64645.2613 69223.22508 49395.95736 54112.11026 Celgosivir 1043941.718 3847673.197 832962.6955 291954.804 305074.1827 259252.5055 325771.9919 330691.3238 257970.8537 258555.9347 285840.7048 224507.8287 224192.8487 Hexanoylcarnitine 22952789.18 21021414.08 26958965.36 1528344.317 4649281.217 8925520.539 15428253.92 11847155.05 7783288.894 14194779.33 12625456.02 19402349.6 15669986.44 Lys-Leu 3849931.664 2451324.006 2000173.806 5759510.294 6352580.989 6885070.335 6339018.723 2888541.104 4526468.685 5084497.532 7972293.743 3134014.208 3977534.891 1D-myo-Inositol 3-monophosphate 430377889 1594019435 1369852984 1643506907 845601917.6 1051768791 764360893.6 1871799952 1216594404 448090992.2 436193699.9 796007439.2 694979121.1 Gln-Asn 791176.7657 1454759.471 1138985.014 1710121.354 1409612.335 1974054.335 1677520.871 1857281.862 1705941.743 1601613.86 1487272.403 1208672.624 1012313.954 NP-020535 26523471.99 43919605.97 33509123.93 18081542.46 11854805.62 37729018.81 21592561.91 21541600.97 21767569.87 26851762.71 34885224.19 13142748.4 15733848.01 1'-Hydroxybufuralol 8389571.755 6699463.375 9414405.968 9733768.249 10001384.39 9813266.577 17707199.31 7336490.769 14608841.13 20260042.86 11092444.84 15325195.93 15207641.97 Carisoprodol 1747134.458 1637040.262 1710772.383 1973847.064 2023390.895 1956736.135 1947691.582 1935894.524 1956226.567 2027667.058 1966286.884 1905265.366 1876765.622 1,9-Heptadecadiene-4,6-diyne-3,8-diol, (3S,8S,9Z)- 11307949.72 19746633.23 15738242.58 38664720.56 32268565.52 22897422.51 29738836.68 33554711.64 30409115.36 38346541.39 32992510.86 27210707.45 30364209.28 Cystinylglycine 977986.4072 1615351.106 1396062.04 1435774.222 1756582.823 1510555.811 1514041.874 1518341.678 1485971.667 1544897.555 1780465.226 1513740.345 1548323.684 Tris(2-hydroxyethyl) isocyanurate 6550561.925 9228914.258 8930125.806 15265314.7 11708318.61 14940942.5 11227778.37 11381202.47 10682343.8 11419881.13 13643854.06 5537321.476 7064369.591 Glycine glutamate 8780190.783 10960532.4 10409527.23 17215528.38 15658886.96 16928365.13 12383296.9 13837968.6 12175874 12829755.24 14563868.5 6400331.524 7857624.274 Glutamylasparagine 1000078.635 854490.5966 892976.7631 10162268.33 15586655.77 15881989.08 8131906.778 9667352.257 8206166.905 11928258.52 13784470.77 1078225.201 991796.6297 NP-015114 581290239.5 654157515.3 493263698.3 194813064.9 94527032.86 125269939.3 66167078.08 91044786.02 75760049.75 79801211.49 80874936.03 37642192.72 42477207.73 Aspartyllysine 7097306.39 12994528.16 9665439.203 12861943.8 10087369.87 13139268.57 9365230.702 11237599.7 10822139.11 11019126.85 13761204.28 6694618.135 7688467.855 (2S)-2-Amino-3-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxypropanoic acid 1114126.594 3309477.013 1012882.449 1187739.789 2753503.621 379774.1821 1940607.055 419140.3246 1789361.493 563238.1242 2811241.902 374363.9845 264764.4931 3-Hydroxyisovalerylcarnitine 9326542.816 17720148.67 15708038.07 16069930.41 8789508.05 15431504.2 12066841.81 12681496.93 17897082.51 20743477.12 19772287.08 14779070.75 14589767.08 Hydroxyprolyl-Leucine 902462.5518 822543.481 804915.2539 898996.1817 922078.4367 919038.5685 913413.1653 885432.0852 921429.5158 957746.6822 936424.3336 972981.3552 916355.2239 SPB 14:0;3O 1602092.176 2447591.489 2623602.911 4857247.019 4866417.03 4052400.324 3978645.76 4263949.028 557120.1713 4029182.783 4510225.293 5236429.1 2965377.136 Hex2Cer 29:4;2O 15539788.16 23246419.54 29695665.72 27832958.76 22364575.83 21220384.59 7289668.948 5136127 5766888.433 6512511.797 5831953.519 964867.0701 2824239.49 Demeton-S-methylsulphon 13530731.06 9315076.169 14197764.1 38678455.34 37803915.44 32725539.86 31067899.57 31073007.06 29812688.93 30699602.22 17443920.5 9183178.095 9772913.428 4,6-BIS(CHLOROMETHYL)-2,5-DIMETHOXYTROPONE 450730.6796 428627.7461 452680.5732 503828.5188 527972.8373 515526.3784 501780.845 504942.8514 509671.7917 530127.9434 517827.2117 485643.318 495030.1609 5-Methoxy-2-(methylthio)-1,3-thiazino[6,5-b]indole 218456.0309 355004.5517 301692.6632 333122.2935 323080.8063 325579.6309 275987.5723 298329.7262 302985.454 364867.807 347315.53 255808.336 279526.6467 D-Mannitol 1-phosphate 4728666.534 9625288.969 9069103.951 9973547.337 6469170.387 7977633.677 6061122.665 9431424.708 9897249.599 7377259.973 7433038.287 5465903.656 6779908.232 N-Acetyl-serylaspartic acid 4650934.628 8012823.732 6363784.557 8719832.398 6166861.753 7760489.29 6526515.469 7639017.521 8168743.54 7948636.341 8191713.108 3721498.676 4640283.732 2,5-DIHYDRO-4-HYDROXY-1-METHYL-5-OXO-2-(3-PYRIDINYL)1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER 1259191.702 2092188.413 764788.0324 1106115.33 2148539.647 2101113.752 2769699.727 2198224.746 2175972.069 3049650.87 3718124.56 1214254.642 1503466.984 L-Galactose 30345.91928 57966.31023 54922.77067 207004.4184 181552.8523 745712.7242 756869.0988 629418.3919 594749.1927 1346240.721 333758.8716 2174600.191 1800152.377 Artemisin 9640668.642 14119274.97 17901023.35 26932357.7 33232103.29 32132896.85 26821261.8 25862904.44 25185221.73 28731129.12 29954527.64 23521589.04 26386445.94 Salinosporamide B 10321887.07 14769852.67 18223161.48 27433289.67 33148988.01 32051440.83 26325144.99 27254946.1 24720308.98 28766992.81 31043156.34 23541704.74 25893642.82 Methylmalonylcarnitine 26356998.92 41914634.48 10585985.92 46834390.99 31929173.1 8869552.693 36778232.3 39979911.41 41687948.61 24096137.4 27650154.46 24291647.96 28117334.38 Streptidine 1857588.018 3390508.347 4330550.667 5689523.108 4820441.525 7720483.708 6018012.795 5076816.129 4914937.382 6033269.656 2732644.045 3568009.631 4565653.85 Alanine lactate pyruvate 22159.92783 24428.67398 66848.67472 160886.8922 99300.15744 168384.0917 135668.9807 140462.3949 146301.0315 201346.0364 173243.5181 153886.9371 164402.7257 4-O-Acetyl-N-acetylmannosamine 630777.2707 569859.9174 732500.6387 1107836.6 617792.5 1099596.568 1052273.753 892207.1509 693599.5318 894787.7078 1399238.916 353895.2453 689245.2885 5-Amino-2-[(2-amino-3-carboxypropanoyl)oxyamino]pentanoic acid 9060851.556 1660389.435 5634586.88 1488854.165 10028028.26 1602486.483 40461142.96 42706216.99 102410145.8 12394221.73 1726918.237 112638484.6 194728637.5 Ala-Ala-Ala 17556.39275 18892.534 56054.8216 57432.41637 25657.92111 220856.8531 21076.35622 121738.9462 178398.699 491207.64 835048.3071 1075343.707 644343.8172 NAGlySer 13:1/10:0 1218655.441 1157538.274 1830713.701 4772844.324 7709437.489 6366634.395 6634392.06 4145930.06 4834549.807 5135989.437 3280754.737 6485124.608 5046812.036 1'-Acetoxyeugenolacetate 170293.27 130448.6731 131486.5884 1467429.575 256966.5251 237317.9176 226647.1625 473796.5614 977624.2324 192670.806 458789.292 696204.7171 649455.5515 3,4-DIMETHYL-1,1-DIPHENYL-1-SILACYCLOPENT-3-ENE 17373657.67 56645894.96 30135559.65 79423824.84 26436044.87 72486815.08 46970523.72 40223562.47 33512193.97 95047666.81 95208876.1 8793728.582 18337494.55 13-Hydroxylupanine 2478627.156 3725333.268 4129979.702 6696809.167 5767104.984 5606171.075 4984387.327 4789580.891 5925535.922 5211863.447 5739524.23 4393025.318 5046812.036 2-(Nonylphenoxy)ethanol 1426679.057 1308105.696 978807.92 1478435.329 1502912.843 1385715.34 1404883.548 1288768.637 1615524.416 1144124.55 1158265.298 1309862.869 1423451.425 2-Methyl-2-phenylsuccinimide 14332.26668 18008.10398 18185.61525 17301.63864 15566.07001 17054.29005 16917.17474 16509.28506 16489.13529 16456.3304 18496.82305 17230.93588 16868.74207 Adenosine dialdehyde 851455.5339 728984.4067 673945.2455 2944922.059 1847037.095 1023119.644 2786571.816 3740557.938 3849579.156 3488957.223 2858722.549 3300767.661 3596103.149 N-(2-(Methylamino)ethyl)-5-isoquinolinesulfonamide 258332506 313945387.3 270994467.3 301393188.3 243640129.8 238782222.9 234809874.2 281578499.9 283717104.1 224407082.8 242357139.8 203162240.7 222967996 (3S,4R,5R)-1,3,4,5,6-Pentahydroxy-1-morpholin-4-ylhexan-2-one 4640758.817 8500028.002 7391974.827 6668388.496 4756608.337 5747309.382 5237220.613 8517901.619 8126241.944 8905112.829 8626080.123 4403475.924 5667570.25 N(alpha)-Benzyloxycarbonyl-L-leucine 1051903.337 867177.5938 903794.0816 2089708.86 2104129.641 846847.0561 726378.7819 1301580.994 1279892.364 1727302.423 992805.4281 803833.6508 392793.6756 Dimethylarginine 5224641.434 8151135.17 4589771.185 4588879.133 7224124.77 5230620.854 3337371.221 3122420.364 4749566.155 3442769.876 3541479.215 3443060.52 2626329.165 Spermine 10210241.33 16715932.03 16957580.59 34228398.05 30862070.56 27786707.08 1157991.56 26790113.5 22520917.1 30528688.07 35787786.93 19722788.84 883206.7616 Nonacosane 110201.2097 165653.5303 126728.4243 144549.9736 109483.5542 112797.9226 114668.4934 117084.3906 107916.9037 180078.2981 192977.52 81073.39385 91598.93853 Phosphatidylinositol 4,5-diphosphate 321588198.9 532405915.2 459645733.8 603143586.6 495966618.1 359783973.1 316913594.6 395952985.2 365477508.2 349239122.2 363762692 230739105.5 257078925.1 4-CHLORO-3-PHENYLTHIOMETHOXYPHENOL 8249332.284 10723381.4 4537805.521 4732818.984 3693154.039 10664082.35 6630271.32 4485052.875 6029185.112 4537373.702 10546832.44 4811387.191 6122378.868 5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole 8988152.827 19353196.12 10560710.12 1716307.436 1705453.957 1620518.545 1663982.233 3799413.667 2029473.005 4120715.648 3271111.771 1907873.983 2429614.173 1-(3-Carboxypropyl)-3,7-dimethylxanthine 10912720.33 18418023.45 9429423.876 2870138.882 2033810.884 4641396.641 1658981.339 1993254.346 2029473.005 2787469.406 4872736.094 714145.6052 1031660.054 5'-Amino-5'-deoxyadenosine 397960.5089 205832.3682 294673.0521 223608.7044 219858.7973 199386.8644 180480.9873 202453.763 801852.5728 187492.8909 663268.9609 1060153.19 1012199.146 Deoxyartemsinin 17888263.09 25928059.42 23817598.49 54768437.11 54591417.37 40652462.35 39984699.09 36979645.71 45008555.18 35751010.32 48896542.34 42189962.84 30477279.36 cis-Linoleic acid 96435.49251 119257.6567 110140.7298 113620.9353 97835.03804 100274.6994 100351.9472 98086.75229 104218.6234 128697.131 143020.0687 83215.26362 153035.1714 Octadec-9-enal 3736829.174 9424787.201 16648042.2 18166290.75 16509966.63 11411464.52 16010214.83 19333238.86 9388951.25 20965590.68 21285813.31 17505104 12215712.62 Neuraminicacid 1873877.063 3593452.88 2564869.076 4049952.455 2571615.284 2403103.31 2285985.724 2315767.291 3346853.872 3072472.46 4875836.712 2104386.104 2093728.724 Adenosine 1479278478 2187699879 1995947655 1253648764 1027276350 1669501838 1922604263 1399121383 1351175515 3115211253 3361481801 744280633.7 607208586 Agaritine 19953.51815 20642.11146 21252.87225 25355.52498 26101.02297 23821.64945 23046.71935 22933.39795 22280.65478 25677.9048 22680.40737 22018.73344 21291.54206 Inosine 1792027898 1203462344 921987189.4 839826145.8 645025157.4 645727436.1 653549827 640991017.6 792224472.7 1418107726 1550577420 659599308.9 847742900.3 NCGC00385513-01!4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)oxolan-2-one 24031601.99 35133115.7 32432829.46 20575292.27 8684766.767 27273365.85 32022142.59 10121929.84 20087418.59 19399615.95 54707323.04 11771144.32 9482243.887 Methyldymron 77246.46642 108176.3065 117771.0659 213026.5933 169201.4066 200360.6384 139967.0614 178076.5393 115713.3322 234221.0321 256222.3399 102066.4403 122826.031 N-OCTANOYL-L-HOMOSERINE LACTONE 8126939.715 13563986.24 10988111 23215964.72 26129850.81 15246206.15 15595644.26 17715538.24 14635178.82 17781469.43 22100177.82 12577390.76 14150311.11 8-Hydroxy-13,14,15,16-tetranor-12-labdanoic acid 35689203.29 52429635.78 68441058.89 122491449 110772509.3 79096449.08 70306996.27 51533244.43 90651572.44 65457021.07 44235444.42 27407777.01 49784297.44 Octadecanal 304571.012 981370.3917 2313424.66 2082623.078 2008891.732 1248640.115 912707.3372 3172771.353 766867.0905 1777351.766 2796937.052 2492491.839 643795.581 1-(2-Amino-7,8-dihydroxy-4-oxo-3,4,4a,7,8,8a-hexahydro-6-pteridinyl)-1,2-propanedione 12172068.93 11757085.8 9591283.481 8408303.331 5707718.416 6584748.015 6713310.145 7533872.432 16635399.56 14870299.54 15335543.75 3710522.431 4567661.504 Amidinophenylpyruvic acid 22710860.01 15227981.49 11503224.97 10626298.56 7928478.73 7138822.462 15030045.12 7131788.763 16635399.56 17033140.08 19899501.28 8374431.962 6103843.497 Lagociclovir 4521289.247 8532332.445 6574698.151 11502006.73 8676964.344 4090072.422 2757665.618 12504461.93 12596279.28 11620785.06 14687960.12 6613888.997 7957555.255 7-Aminodesmethylflunitrazepam 1647434.716 866151.6972 1004378.077 326094.0702 377529.5225 495018.8576 2078460.873 406634.0273 389213.2568 4262645.983 1078197.135 278937.8933 319645.9 N4-Acetyl-deoxycytidine 3529741.529 4553893.758 11694339.11 3013571.242 2303330.899 9425007.558 4735933.083 3845336.659 7715282.973 17953438.89 19274789.26 1684319.743 1433348.919 4-Hydroxy Triamterene 1268863.988 1780721.01 1325828.423 990557.7807 680981.0079 1391389.305 1233938.185 1751036.195 965927.9297 8112448.466 8357018.483 380395.3123 1567773.146 Estrone 5863437.958 22658374.37 23060021.7 9890622.527 11259921.07 11322947.03 8549651.758 16273139.76 11003190.59 13408846.24 10650235.55 14651670.8 13618219.78 SPB 17:0;2O 2229185.026 6280333.317 9734210.775 10597913.46 9160825.753 5681521.812 5302559.796 12514915.29 5093471.444 10207187.53 12446917.14 10241947.93 4292884.001 Apigenin 15918.83593 16127.27983 15658.51524 536106.8311 313962.2986 204071.4682 152935.3683 332403.2759 241693.2263 119416.9114 113127.6228 65406.97295 92278.64774 1,2-DI-TERT-BUTYL-1,2-DICHLORO-1,2-DIMETHYLDISILANE 866099.5211 563364.0185 385326.0575 674852.7821 362528.7073 344002.9704 507092.9665 368979.7438 533239.4169 2680416.412 1754758.753 401587.2311 311647.0213 LPA 6:0 955302.7113 1436901.457 858786.3328 680663.7828 1219102.456 704430.7497 3113686.036 821267.1469 850945.6074 3202954.497 2743726.576 523095.1556 634980.8747 NCGC00380148-01!6-(2,4-dihydroxy-3,5-dimethylhexyl)-4-hydroxy-3-methylpyran-2-one 43187521.27 64226779.79 61552001.4 139271960.1 119489099.4 103175157.6 86371847.83 99746523.77 82162253.96 81548685.61 116592070.3 60631380.27 62416348.38 2-Hydroxydodecyl methacrylate 11566205.47 20569262.32 18446434.5 44218458.07 36679628.99 17528843.23 28557835.63 35011412.45 26746807.68 35546445.86 45135879.73 24738856.58 24272302.57 Methyl palmitate 31390.34169 30982.96429 34276.01769 31213.252 32315.2467 29067.47309 31800.37518 31176.43906 28831.95249 28754.05461 28831.29809 30437.88092 30625.17506 Isopropyl myristate 85693.60243 100567.8619 111453.2621 168582.6941 156520.2154 150126.4803 146976.7645 151887.4349 145662.1225 152949.5785 170049.0666 143907.3417 137909.3309 2,4,5-Trichlorophenoxyacetic acid 1288237.166 722019.1206 1596845.656 4844429.291 6210778.288 2768073.022 3449890.732 3477208.854 2881145.836 2686209.621 2119452.843 2613811.496 2172488.106 MERCARPHON 1284762.552 4878305.627 3720073.758 17568330.49 14144836.5 8358980.254 10239403.43 13697164.89 12953036.73 12187674.53 10224152.04 13679631.45 10976832.15 5-Formyl-Cytidine 1458540.757 947408.0854 840308.5815 2446908.069 276881.3937 2272923.974 1756961.016 1777917.069 2044829.608 2408832.531 2931476.349 848462.0889 1429724.243 Dimethenamid OXA 64359.0555 79590.09642 67578.42317 71608.18663 65293.08328 66921.26288 64944.07225 65461.07217 69499.12123 85889.80653 896643.3128 55536.14785 65175.63219 Pyrimethanil, TMS derivative 3846580.821 5962850.346 6091978.799 14685302.85 5723362.677 8553975.622 6595835.652 6919753.135 9430704.981 9199406.375 11059206.85 6999741.053 6154659.943 2-IODO-3-TRIMETHYLSILOXYBUTANE 320533330.9 1063633633 645219913.9 567811461.5 344907350 812298310.7 537542107.5 711168242.2 644519879.8 1337653966 784218055.4 881552406 531088518.4 Taurine 8705382326 15043693157 11853607537 10326305539 8325075179 12673211706 10287894685 12122840499 11711117257 11856606482 12505243722 9603750593 10760025304 5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate 399616483.8 439614868.1 459413688.2 523646930.2 493300222.8 520226594.7 411927473.7 473752888.5 441974544 591643830.7 661035339.7 352487241.8 397048032.8 Pyridine N-oxide glucuronide 31552916.07 104063108.2 45006995.29 48585370.24 22781777.92 18155516.22 25246452.52 17264171.69 25477526.52 91267923.03 104546064.4 17779822.47 20220049.3 ISOPROPYL 2-(N-((4S)-4-(1-METHYLETHYL)-2-OXAZOLIDINONE-3-CARBAMOYL)(AMINOACETATE 121644.5087 179641.1925 147931.5419 368587.9682 307826.7355 328418.074 257627.3037 381129.1992 285827.609 304103.9965 278164.174 674557.9411 184120.5488 Dodecyl acetate 30225088.44 48394125.24 47327480.59 77019164.86 76399267.44 51111023.44 51209844.02 71089873.14 63231304.72 80710672.84 95366603.07 52739615.6 55856224.31 DIETHYL DIBUTYLMALONATE 3578198.752 11060432.26 16044887.84 32923900.25 14055620.08 25619033.24 20388637.95 23584477.1 10387050.26 5961999.276 24659883.81 13540949.06 8686321.624 N~6~-Octanoyllysine 6765113.948 11462704.77 10436340.64 15968255.56 15043431.19 14608203.79 10227031.94 11898598.68 11209894.15 13495208.43 16096292.5 5193478.026 6324746.227 Cropropamide 6025679.97 10159207 9626434.582 14585283.63 14014149.09 13188169.69 9145084.665 10845847.41 10609360.65 12840333.15 15204452.91 4985320.019 5960979.922 Exametazime 3410503.859 6681186.779 5323389.014 4872242.156 4202141.457 5183296.202 6139172.476 4723459.992 4930305.333 6521731.852 5367427.467 3113863.264 2931384.932 Heptulose 2395897.114 5380832.976 4371440.898 2823390.664 2027750.009 2092801.899 1783340.622 2957852.235 3085844.427 1316728.495 1489108.029 1335992.144 1668304.791 Pomalidomide 495233.0165 4714448.578 937267.1765 3145589.29 461025.2208 661975.5846 847249.544 1666326.9 1667349.222 6243109.834 8033638.632 142111.9714 567586.1498 5-OH-Me-Cytidine 3208161.148 3273234.163 2151760.844 5948370.17 4300602.648 3368215.604 5326658.978 4107497.888 6123617.084 5835524.452 3837938.511 3840335.006 5246319.406 N-TRIMETHYLSILYLPIPERIDINE-4-CARBOXYLIC ACID TRIMETHYLSILYL ESTER 988778.2375 2159009.201 2007341.051 933731.4551 633715.6784 1231388.469 1173120.132 985798.8 676965.9449 2501331.829 3416895.976 494919.4119 524966.6314 Arg-Val 1563147.755 2382198.421 3603148.603 2618707.01 2903787.379 2362003.184 2002140.053 1895548.431 1982355.197 1535771.259 861738.1152 1645921.707 1616442.802 O-heptanoylcarnitine 1001462.092 2336529.317 1652397.886 783781.329 660462.0188 977797.2275 1134924.888 1276173.958 1584943.986 2040698.979 2115114.555 977143.0643 816825.4135 Anilazine 4375055.192 859886.573 1111782.5 2837330.851 3200027.796 2160789.634 2662013.791 3055900.897 2958760.862 2796796.466 2627796.59 39272637.47 26115072.01 1-Deoxy-D-altro-heptulose7-phosphate 3627391.665 3092974.275 3219174.849 2420265.374 2398174.439 2258150.065 1764895.995 1858394.905 1128328.521 2036252.253 2073533.679 456559.5148 514454.0122 2-(ALPHA-NAPHTHYL)CHROMAN-4-ONE 77403.92265 96070.77158 88726.41964 3237485.013 625076.8467 331417.2766 174480.4946 1138294.123 1552083.969 1255777.386 426998.274 361578.5366 312565.4565 N2-Succinyl-L-arginine 2857402.978 2798581.812 3166286.316 2211026.934 3498750.568 1979147.574 1899492.461 1486203.77 2417488.773 2282328.936 1361272.42 1284394.378 1537420.247 Val-Cit 179840.1079 477597.7393 369759.4689 751663.5436 340435.0015 1464170.257 1187588.408 1235038.877 213921.4888 437040.2536 673750.2869 792347.3926 384462.7111 2,3-Dihydroxypropyl dodecanoate 9034216.831 5863218.92 6530300.945 13721921.32 9918440.908 9305823.257 25840402.09 12059325.52 24179279.89 22905716.34 9477656.535 9756933.383 7282120.596 N-Nervonoyl Threonine 3289383.622 1091837.793 1010868.194 686560.9637 3074377.137 3085755.66 4911714.674 1169693.679 1483168.749 123934.3107 1047436.735 284183.1412 93888.57182 Acetarsol 49929873.48 263192372.6 267187182.5 203999531.1 63205152.68 142248825 38262156.12 140086443.2 124266418.9 174825683.4 235418990.5 16261119.33 35472504.4 D-glucosaminic acid 6-phosphate 734588.9519 669536.2067 655187.1338 720748.3507 750555.9438 748081.5436 710130.9142 698328.0168 708596.5267 779589.2805 762233.2565 791990.0416 745897.3473 N-gamma-Glutamylglutamine 8353427.74 25688472.71 16399449.22 29122043.69 19207449.57 8738473.847 11369302.33 21992627.93 23034161.37 19276393.83 23145423.48 9548831.655 12620233.54 L-Aspartate-semialdehyde 12037724.81 28919880.92 20736640.04 32048926.06 23431247.8 11692839.84 13485682.31 25753583.4 29697356.04 23022948.96 25449046.84 13308093.41 14262156.39 epsilon-(gamma-Glutamyl)lysine 4079411.805 8193381.462 6243544.541 9283238.734 6993984.022 8011152.906 4802686.929 6485330.505 6222886.526 6374647.348 9068326.995 3517267.748 4368084.143 3-Hydroxyhexanoylcarnitine 868253.6752 794177.9569 838743.959 932130.2288 978248.3588 974068.6958 964065.026 992908.3993 972118.6322 1004798.19 959450.1541 994031.7169 996114.0028 2-(beta-D-Glucosyl)-sn-glycerol 15852826.91 27505005.95 13011883.42 23396571.23 18393180.08 38006061.14 31059947.16 26202534.04 25280833.41 32356233.48 36527122.25 17341045.72 20505160.88 Ggamma-L-Glutamyl-L-glutamicacid 2034640.688 4356340.492 3013092.99 6620216.439 4814010.53 3221878.779 3146401.108 5160288.305 4736344.868 4960380.741 5384895.592 2017510.962 2877567.012 3-Hydroxydodecanoic acid 4135042.59 6344770.263 4167515.879 12770570.01 12363866.79 9900601.276 10155320.43 7630946.017 9432304.566 10436244.38 11681992.51 8022577.491 8699138.456 Heptanoic acid 2992391.525 5212366.521 2615750.244 8000734.788 6570180.271 6433027.284 5603717.189 6176913.703 6067993.758 6744968.25 7284814.519 13080663.34 8769313.204 3-Iodopropanoic acid 1004089.765 23068699.94 63723124.79 3836670.245 3967900.068 8547027.228 6931252.731 3946061.557 2706884.927 4743284.179 4867685.146 761881.209 4222559.04 METHOXYTRIS(TRIMETHYLSILYL)SILANE 939833.4104 1335255.877 1014327.654 767241.0873 615266.9056 869958.5199 561359.0328 566109.5614 439291.633 94064.85468 412950.2446 377457.5538 230610.9697 4-AZIDOBENZOIC ACID CYCLOHEXYL ESTER 19580967.35 16566947.63 21488763.56 27328899.96 24113213.61 20649235.04 20720092.71 33243164.65 29665199.14 25402588.75 27312312.23 23796723.54 48870909.22 2-Methoxy-1-(3-methyl-2-buten-1-yl)-4-[(Z)-2-phenylvinyl]benzene 211801.2725 596852.5408 204546.8295 843768.7871 305743.8473 306825.6396 131421.6136 135386.0791 212277.9753 125808.9389 497076.4337 90567.8068 96732.92289 Deacetylmoxisylyte 362996.9134 351398.5537 473092.602 314549.3121 337235.8979 403454.9498 366334.1219 320987.9909 337086.7964 303452.3197 335911.8439 298381.8233 423646.7511 Imepitoin 282186.3696 61548.54735 63701.05055 68372.44007 65057.62724 63595.92397 61186.81319 62745.91327 63218.18798 63316.87295 62365.14932 64902.50316 61897.29983 5-Methylcytidine 14282073.02 38633794.74 31338462.77 6796086.462 11711348.15 14242643.72 21748265.86 9979960.732 9019755.643 8752291.384 12309135.69 8156377.971 7492270.702 2'-O-Methylcytidine 390726202.9 1097176901 972899057 436300748 358902068 742968679.9 756351100.4 602059141 547174595.6 502061768.6 497070597.2 413634803.8 437788419 Metolachlor CGA 357704 2036470.189 2556262.264 2899356.919 1328062.845 395982.516 2354673.76 2074882.031 2681464.563 1948342.203 1473426.176 1635801.388 1264592.248 2282453.151 Phoxim 895305.594 2057136.815 1173175.81 1632197.346 1978357.505 11007029.59 1171916.762 2609575.864 1328230.981 15212464.52 5054769.892 1970269.163 405879.0231 8'-Hydroxyabscisate 45361197.69 53282724.88 57121689.68 60130974.89 62413371.38 62720478.36 55307135.42 60745647.41 54132913.95 52784756.21 70545821.82 53222459.46 100211494.8 3-Dimethylallyl-4-hydroxyphenylpyruvate 32142510.34 12929118.88 18924538.26 20729381.19 23430924.09 28645942.49 20959787.72 24026629.95 21765575.36 30487388.25 26642628.59 76074728.4 75210404.08 Linoleate 7270316.515 15022828.88 15940371.07 28145926.57 27254845.42 23136541.78 21318985.6 20805169.46 20230805.56 26057306.83 29892890.45 18092375.15 21146520.76 3-Iodo-2-propynyl butylcarbamate 977463.9775 2200606.412 2435169.707 9841780.415 5373141.003 10890149.65 3413964.645 8782154.692 6769929.187 8086322.606 9449970.82 3083015.612 5425829.426 Glucosamine 6-sulfate 2247700.257 2048651.426 2004746.035 2287269.453 2345157.307 2288984.98 2281241.902 2246722.51 2294939.945 2385392.567 2316631.016 2423336.5 2282301.762 DCOIT 2943608.656 2386209.244 2167399.485 698147.2433 1456760.036 270487.7327 3076321.238 3045117.423 4056611.179 2307340.133 378425.0303 2072004.573 4261381.052 N-Nervonoyl Arginine 1660489.53 3720923.134 2591422.609 1823877.53 2163455.545 1284143.189 934940.2439 1477372.752 943027.108 456946.29 1365705.37 762892.2578 273072.9993 6-[8-Hydroxy-1-(hydroxymethyl)octahydro-2H-quinolizin-3-yl]-2-piperidinone 185558730 340883677 384892916.5 426172493.2 488183641.2 805914648.6 623915559.8 333071412.9 344955390.4 735080866.4 405396875.2 299385185.5 379666008.6 Methylfarnesoate 2507540.875 5176302.892 3168394.536 11230949.9 4261285.004 4690084.936 5345383.283 6025334.563 6015927.357 4501722.062 9128598.578 2135267.676 3071830.27 N-(UNDECYLCARBAMOYL)-2-PYRROLIDONE 1945198.265 3131916.428 2701916.31 2299799.388 2046412.836 2468050.065 792379.3603 1958070.146 1320243.473 2312121.458 985809.3539 949547.9287 981017.4655 Oleate 4437756.823 3139480.805 3953077.045 11582941.03 6986058.74 11557859.26 10685908.55 6085019.089 10884649.42 6774116.158 5542569.779 13693134.04 9767090.386 Risedronate 293916296.4 377600450 331073538.2 422335480 342023047.1 250195592.8 202328534.3 334351561.9 240171716.9 300522899.7 267168645.2 144618587.5 156240971.1 N2-Acetyl-L-aminoadipyl-delta-phosphate 1291210.704 2020765.66 603911.2974 1839892.489 1032404.254 701987.1271 1228836.827 1019380.255 1595652.103 1008383.413 1444455.939 221653.9175 419075.08 Guanosine 4061803.125 3740654.627 4090557.007 4504152.806 4627855.187 4629865.794 4663488.818 4676598.265 4650960.414 4764966.948 4473189.296 4808447.223 4818519.901 1-(1,3-Benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol 1533347.72 1751406.223 1794758.337 6242375.455 6977110.724 12109826.82 10616537.4 9998189.156 9873400.776 12634419.22 14455897.99 5773666.489 6433236.322 Spermine dialdehyde 14699219.41 20410742.79 21287114.86 1577937.254 1814833.349 2495330.283 1988503.659 3968593.3 3438472.302 2177891.898 7670225.5 6500020.747 6590705.306 (2S,3R)-2-Amino-4-octadecene-3-ol 2676145.012 6681059.937 10674004.14 12965590.43 12417336.69 6790941.649 11406722.99 14593485.53 10180971.01 9974035.014 12141772.11 24172825.55 8136562.079 Cetrimonium 361639.2755 2253222.243 2599535.187 131728.152 49225.23352 37059.98877 54435.34091 34113.16203 16688.07404 48403.94315 52310.98893 53393.5459 30832.91128 Xanthosine 5-triphosphate 16305301.35 25351355.44 21939716.05 32732059.79 35089617.94 37962604.53 42074478.5 51605017.69 57290071.6 49351674.71 50141443.5 92077806.54 81624142.68 Cysteinyl-Serine 87567224.67 115873380.5 92846132.6 40030185.52 67895570.05 37482814.71 73268590.25 63056199.62 95544078.98 84602594.85 59487802.59 126127464.6 120049241 2-ACETOXY-7-BROMO-4-ISOPROPYLTROPONE 5284801.555 4262295.584 6848137.312 10805863.68 8856171.822 11589404.3 10721826.67 9326198.609 8598022.606 7365345.504 4775764.667 13922309.16 6759289.251 D-glycero-L-galacto-Octulose 56328253.86 77364912.03 83245174.38 90101271.42 88312876.31 121634682.8 137575401.7 117690957.4 102398269.5 151189705 144753688.5 106271927.3 86732369.4 Xanthosine 758194.2672 1128315.028 887630.5832 685156.3354 1015031.456 1695693.659 902321.9352 1137232.857 1709919.933 2353065.556 1886012.18 877600.3622 545206.924 4'-Azidocytidine 2080289.679 8316260.4 10620064.37 3471423.057 3311007.5 4783648.644 2903637.071 2148773.325 2194296.282 2096995.838 3666106.454 1719540.951 2200741.631 Pro-Gln 531123.3768 981808.882 1287141.837 2719283.261 1395441.507 1340016.913 1080331.981 1572114.009 1063910.887 1088013.436 470526.6995 479190.8555 362375.9596 Tetranorprostanedioic acid 228214.7327 176626.7826 178341.1015 130797.5251 129377.0955 142166.5637 130412.0097 316190.3618 126736.1123 135207.4484 143753.4315 127106.4448 129624.4615 N-Nervonoyl Valine 3699414.838 3269715.277 3980981.7 6632878.898 6030658.151 8409520.117 11361223.93 8843779.29 6609196.142 10651238.05 10198892.46 8712606.355 6528915.661 2-(3-(Diallylamino)propionyl)benzothiophene 16716904.17 25971568.95 23936519.55 19855043.43 12476874.61 23734160.55 18442190.45 18404768.11 17027156.11 24260526.96 25419687.39 14029243.5 18405047.05 N-TERT-BUTOXYCARBONYL-2-(1-AZIDO-4-HYDROXYBUTYL)PYRROLIDINE 6810284.261 4382753.092 12914578.74 2585129.286 2868963.41 3560218.312 10303199.87 9331010.771 4177208.802 11612784.3 11125260.23 7448449.487 7625971.526 2-Octenoylcarnitine 12122416.45 26851148.05 26877303.68 11737852.45 5497662.151 18092369.64 14047540.92 17667734.28 12161026.46 28959330.48 37985166.05 10282780.65 10013854.33 SPB 17:1;2O 1969057.837 2995146.644 3544252.894 4923994.851 5023457.913 4502037.919 5860942.033 7474614.992 5958507.229 6709801.765 6168321.514 4792884.985 5120170.826 N-Acetylleucylleucine 496005.4686 462209.5055 483027.373 557305.093 571293.5269 538394.3335 549920.2336 546589.3975 552330.0404 572500.8786 555170.5168 533349.6805 509924.2023 Androst-4-ene-3,17-dione 2646977.407 4044154.445 5535071.14 6910625.228 9447186.318 7342870.669 9071998.307 7808817.286 6508448.879 12431270.88 7848705.716 8501035.069 8782811.627 2,2,4-Trimethyl-1,3-pentadienol diisobutyrate 3871439.763 3699901.127 2894225.203 25899833.87 14473146.57 8307994.654 10232639 10050931.79 8639775.618 7931612.255 7189011.214 6614096.775 5634455.57 Nitrobenzylmercaptopurine 6323067.749 7392902.665 6782375.637 15305838.57 12623790.64 7635402.85 4624037.834 3207822.216 8586166.825 10145851.78 11022503.26 5188542.28 4690811.099 L-Alanine-4-nitroanilide 6692115.128 13883575.31 9451639.836 3148563.907 2548803.472 7137055.468 5145267.924 3934653.764 2124293.357 4491183.134 17255333.05 2010164.845 1682611.894 1,N2-4-Oxo-(2E)-nonenal-guanine 1130643.362 1090426.76 1103274.569 1063877.577 1110708.209 1146837.362 1085038.423 1090239.683 1153218.265 1140292.061 1174370.895 1160614.476 1140334.639 5-PROPYL-2-PYRAZOLINE 50348967.11 140528182.6 120053119.1 38613181.92 26965569.81 73213561.41 61896901.4 67214106.24 55474116.22 96634124.31 104321430.4 40300483.68 41951255.66 Valproylcarnitine 67362976.71 181167479 160264035.8 45574676.46 41522424.26 113789570.2 107727804.7 118130330.4 97730795.34 159043149.6 187034434 60472736.07 61236360.81 HexCer 22:3;2O/23:1;O 2864803.019 3062906.571 4900666.482 6199357.432 8488694.47 4202609.874 4578630.999 3481079.033 5481999.622 3581104.152 3101715.785 707540.7079 2294872.243 2-Anthraquinonesulfonic acid 1332664.745 7371086.746 6927038.695 8960152.239 4091099.864 17811799.84 4858463.909 7499303.044 12845891.51 13966604.33 19326899.51 1959120.792 4074949.055 4,4'-Methylenebis(2,6-dimethylphenol) 1512007.004 4486798.05 5138346.36 9695002.092 10688302.45 8951632.628 10709215.87 9625220.506 8843721.552 12404947.08 12617315 9113413.615 9792243.873 [ST(3:0)]estra-1_3_5(10)-triene-2_4_17beta-triol 612568.3886 3037786.889 3551022.66 7577939.367 7903669.422 6384976.57 7987278.425 7356058.501 7065185.9 10077036.01 9983822.474 6740237.974 7454154.062 Asp-Arg 421480.261 3352383.616 2688074.867 1607786.582 3844827.487 4176800.564 3295472.484 782782.8929 3502291.111 3997922.196 4481702.344 1957332.432 2362946.052 3-Methylglutarylcarnitine 3767455.267 525548.9059 312136.839 4785991.581 3635801.097 139950.4721 125365.6933 2476399.932 2460359.314 8868281.875 9482489.414 3248752.221 3257300.206 PS O-26:7_18:4 5170954.391 943939.5564 1509504.782 4605063.873 3756375.558 5938122.266 5043285.385 6155700.461 15914890.17 1203405.061 7262016.655 3592756.804 2666775.604 4-MESYLBENZYL BENZOATE 3439431.2 3482614.24 2681422.981 1081576.441 1058344.359 783318.6725 1137857.71 990590.7466 1451783.47 1971235.531 2461928.099 491295.6928 824718.367 Glutamic acid glutamate 837098.3494 2285338.645 1359856.159 2784030.8 1878075.045 1840263.099 1498292.69 1454810.916 1818178.427 1513285.725 1723325.471 677942.7681 773615.9488 Argininosuccinic acid 33914892.87 29111613.72 21086886.71 41995078.77 31645230.35 63434438.21 62171784.48 45826001.12 51649920.07 39898143.03 49610874.81 21390370.53 28185400.08 17-β-Hydroxy-5-α-androstan-3-one 3541239.527 4885088.289 6176616.731 13423617.98 11697326.64 9627347.077 10689311.04 9689375.03 10320401.97 17314649.72 9239121.558 9690442.374 10078846.35 Cyclic ADP-ribose 751523.7844 744355.7039 716445.6879 802389.0314 834429.2546 831678.3445 769697.967 802218.359 787602.7257 866707.0157 855626.5508 1173400.465 1200080.263 LYCORICIDINE 453210.8674 1009286.37 947698.8348 2068797.162 1819205.778 1529371.693 1501401.304 2306517.563 2524675.035 2175549.264 2919275.829 1778728.359 1796262.843 Glutamine-glutamate 1030624.261 1272607.057 1455516.827 2407394.54 2163979.189 2076568.651 1864262.68 2398442.306 2724214.628 2543355.51 3107187.453 2148554.848 2309054.964 Naproanilide 954351.8372 2801318.251 928185.6916 3407066.594 2769374.094 5879204.758 5962640.243 3917480.143 4752494.337 3763069.631 1128512.065 1916941.649 2118137.79 LPG 23:0 610940.1655 1104084.711 2576691.064 5810724.704 768628.8119 5708179.971 3468817.923 3871107.854 3610126.062 3833857.749 4675231.715 2460393.477 2270995.268 SPB 15:0;2O 4700394.108 10568706.45 11394514.71 16013859.78 15913753.17 13620359.38 13241377.77 17501518.58 13350045.83 17929062.21 18415424.03 15176741.93 13321127.49 PS(18:1(9Z)-O(12,13)/20:1(11Z)) 1284967.192 2397570.458 2859840.928 3380152.147 3893654.836 2912164.331 3022005.256 4260037.897 3668332.095 4280011.506 4245337.255 4017426.477 3738063.907 1,3-Diphenylpropyl hydrogen sulfate 1858784.052 6103274.127 5287080.204 2646901.033 2317681.908 4102675.244 2788640.126 3590049.042 3215776.334 3185875.714 3434076.526 674089.9261 2437261.548 Picrotoxinin 458469.0435 954273.2781 1381902.195 1010468.133 597243.6391 695320.4524 1247729.745 1424442.638 1185946.857 959140.303 3108422.622 261144.9342 246242.3706 9,10-Epoxy-10,12Z,15Z-octadecatrienoate 7258298.924 13286662.86 12106637.54 27395651.65 29522373.97 17546290.65 21673840.62 22711856.92 24076894.34 21658288.34 17159410.37 19927009.68 21914401 Dichloroiodomethane 144729.4946 64054.29602 145232.582 121102.3216 149455.8732 93473.97587 189160.0829 108288.7654 115375.318 400362.4116 134489.8658 160228.7527 224784.6597 (2S)-4-(Methylsulfanyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)butanoic acid 5941624.699 10339426.69 9342062.007 8719599.695 8256553.237 10009307.36 13136661.91 7357139.306 7670265.998 19761873.96 22927827.24 3279702.41 3166413.879 Isotrichodiol 666659.883 585789.6614 505773.0507 648759.4471 845592.317 827686.0631 751092.4238 757394.2205 802683.2353 691940.3333 738392.4413 724765.332 719935.6557 PE(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/22:2(13Z,16Z)) 316098106 306525501.5 462681088.4 704264205.6 777386782.9 788319421.9 549894890 355180589.9 486315297.4 491876447.3 335421613.4 296820116 366850221.6 Puromycin aminonucleoside 790296.8363 289765.5807 199047.5956 142993.1752 218572.6402 247973.8253 180869.9366 471644.4978 759527.3852 219485.4566 134934.7344 149226.4329 171619.7713 3-methoxy-2-(3-methylbut-2-enyl)-5-pentylphenol 7070735.086 2976501.485 11677467.61 3868575.787 3454560.429 5545520.865 2843145.705 5177018.937 3514103.791 4276803.543 3297074.289 13014572.28 2498135.932 2,4,6-Tri-tert-butylphenol 108898.727 68311.7834 71530.10566 107692.0431 100134.5252 73159.51745 102894.8818 100137.8105 123801.2114 94903.35947 120089.9574 111625.9407 131501.5157 Stepronin 27468803.75 65622593.01 47095065.35 40159250.36 26900474.48 43389766.6 37030235.89 46193982.83 45312501.11 46355743.3 48813853.48 31053621 38818260.81 NAE 16:2 623530.8692 685021.8938 993636.0868 726446.809 554414.3664 627757.6282 712433.46 614570.9203 564907.9524 557109.4962 659397.0386 609406.4402 651160.8556 PE O-28:1_19:0 466984.6497 357053.5013 837250.479 987273.4957 2033853.716 3088227.037 1692882.793 533467.1617 606251.1051 536004.1585 286789.7638 240640.8745 1412830.722 Ferulic acid 4-O-sulfate 958389.2904 1621083.617 2112787.512 10912062.26 7740498.86 6253323.923 4783765.45 7014830.584 8045215.058 6016669.182 6245810.08 3873046.7 4763023.431 17a-Ethynylestradiol 1959152.147 3089767.668 3386409.546 3442212.103 4374868.757 4797145.84 3777256.413 4638767.747 3729023.186 5144231.148 5797839.733 3735288.961 3672297.184 [FA(18:0)]12R_13S-epoxy-9Z-octadecenoicacid 9336869.642 14742490.18 11211597.94 16293925.06 12744543.12 12175210.78 12644134.92 25361092.92 11474581.92 12306964.12 22387140.58 12787184.49 8869578.387 cis-12-Octadecenoic acid methyl ester 166043.213 155480.3346 195265.5181 240349.8362 266036.1588 242202.028 235019.5142 269966.7053 244493.0284 252679.8117 239831.5272 274479.8516 245258.6245 Octadeca-9,12-dienal 79369.63214 87347.40463 83010.55499 140766.0343 193646.5581 205535.6007 175793.2318 176942.8353 209961.5831 188900.3691 193196.0732 184975.2499 193118.1223 S-Methyl-5'-thioadenosine 14035217.13 28697958.37 23379666.12 30490294.32 19692079.87 19580619.53 12536346.08 28505397.05 25623116.93 27549649.75 28731490.4 16625612.73 16554305.27 NP-001346 14566497.99 30596826.63 22434511.66 33335522.78 26404396.63 27162699.61 22426570.92 45974313.33 37791440.24 42431996.88 23071445.31 36003206.85 38025128.42 2-Methylguanosine 216019.405 1478066.645 619859.1741 837213.385 434666.2605 332613.8935 182793.3933 523715.9872 477361.9245 788383.0585 379613.892 269288.0795 158617.4127 3-oxo-C12 homoserine lactone 1349605.903 25117365.4 17123183.77 1241233.68 1183935.407 811209.3239 616582.4962 21233289.88 21279445.1 2724605.576 3185514.121 13955404.2 17374591.62 Palmitoleoylethanolamde 151838.3005 118083.7733 37693.99819 39754.68752 40155.96585 43613.13265 37766.75672 38729.09077 39338.75531 39081.50813 38494.06922 40060.21755 38205.29527 Tridemorph 7461670.626 20062423.94 34975052.86 34842692.72 39284299.52 21918463.75 18435231.47 41407379.82 14656941.85 33447162.52 44453400.52 34579480.78 12424911.22 4-Hydroxycyclophosphamide 46729979.78 66180258.2 70442755.77 178353270.6 87022353.05 98267372.05 132016673.6 152984709.3 134611184.9 129924724.7 132241790.2 107119136.2 133365512.8 Vanillin isobutyrate 80082835.59 83542196.92 101218084.3 3341927.606 196360882.8 156265993.3 213482851.5 5371113.782 249832908.8 164200420.6 137187657.7 325858623.6 328640123.7 4-Hydroxyifosfamide 45195833.49 24489645.78 12532664.1 924339.6918 43066337.72 965927.6464 63209905.93 984609.8919 128066093.7 27576037.31 951431.2832 239899619.8 1026751.17 D-Xylulose 1-phosphate 71573420.4 80453451.88 100049863.4 143114919.5 195834539.4 150179665.8 208904989.3 240825332.2 237330853.8 155734125.4 137193217.5 138562212.5 179421011.9 Xylulose 5-phosphate 52986483.35 83578770.72 101075771.3 144276661 196759325.3 151655864.6 211139502.7 243452524.3 178646435.5 157783218.2 138333760.5 102659114.1 126155926 PSEUDO-ANISATIN 27369406.15 29527454.62 54518128.56 43767311.47 51208460.86 42871563.49 45928954.77 49049607.13 56393343.69 48119073.1 29577318.19 70316531.27 51235855.44 diphthinate 2038869.428 4569008.358 5092328.598 4116752.105 3458548.458 5347989.367 4829751.049 4290595.465 4660656.464 4010920.659 3982861.505 3504570.147 3750744.59 Artemether 10229322.76 373348466.4 411238215.8 482601564.1 393169780.5 389467443.9 417445412 375389191.7 413747404.2 299377817.5 205740582.2 388649672.6 368536574.7 2-Oxooctadecanoicacid 8686809.387 13760297.08 11948575.46 11106775.35 12079870.87 10515300.41 10594500.31 16063050.45 16434028.01 9186707.544 15165346.21 10411711.53 11712815.39 3-hydroxy-C12 homoserine lactone 684277.9421 2698513.892 1849459.875 703907.686 230728.8729 311864.7685 224814.4783 737273.3889 962697.4453 1095642.301 1146096.895 954597.5068 1184201.407 Palmitic amide 179419968.6 276320119.4 378620018.4 411079502.7 473900118 797079154.1 614400224.3 321556390.1 334842928.9 722615546.5 389129792.3 293707786.5 374131823.3 3-Dehydrosphinganine 4581679.244 5823645.56 8688227.62 12697575.68 8446732.29 12448267.1 11337348.77 15127301.94 11830390.65 12820909.04 14497166.71 13880544.46 10478400.22 dapdiamide A 8708255.876 18378504.16 12370994.79 11765168.55 7483498.172 14951363.67 8498830.841 7775010.989 6376711.011 11684550.32 14026214.05 4935130.055 4279200.488 alpha-Hydroxymetoprolol 14293254.9 21510461.39 22169387.74 36712389.9 37199354.04 24324002.16 22553336.61 25977814.7 24873883.45 29983554.54 22842644.47 24257819.49 23772990.52 MG 14:1 16591606.37 7256965.307 14485164.89 14295085.91 20196143.44 17656036.91 17390919.46 6792916.628 15036606.78 8813185.854 14572059.5 14072740.06 5436374.169 N-Acetyl-α-D-glucosamine 1-phosphate 551337.879 1509138.411 897440.6425 1417670.602 1514586.671 1408914.174 882489.2104 1829860.677 1861833.357 671957.7641 1264733.873 1273546.933 1620425.815 4-Allyl-2-hydroxy-6-methoxyphenyl hydrogen sulfate 5203742.842 1918666.045 3581543.805 9718578.34 29721204.19 14164365.49 13707490.17 31148595.83 17014024.44 34189138.76 19195516 18690733.64 24877992.87 Quercetin 188964.1424 433167.9614 749578.911 533680.3463 797080.8798 1406912.977 1244576.49 1204503.474 1234320.863 1585203.621 847961.7699 1160643.227 1497966.436 19-Oxo-testosterone 2256777.829 3966615.036 3676031.288 5377035.433 7268230.763 7158642.25 6149571.985 7317930.484 7110045.569 8959500.122 5342418.799 6612464.375 8075111.442 PA(20:3(6,8,11)-OH(5)/a-25:0) 5247746.661 5649693.699 7360509.982 13400191.86 12374770.92 8567753.532 7958751.122 7337667.844 8022628.18 2706979.342 7006451.713 5104332.624 4884400.45 Cholylasparagine 5247746.661 4713480.885 7360509.982 13400191.86 11795230.44 8567753.532 7958751.122 7337667.844 9575988.952 8362644.011 2347149.502 5104332.624 1959443.863 Icosapentaenoate 1042738.912 2085376.172 2221681.877 3260070.45 3066160.874 3787985.001 2157671.833 4564831.546 2485882.247 6533031.201 5323908.834 2937175.097 2335087.309 Arg-Glu 1846459.387 4127367.781 2714665.649 4724214.615 3231859.491 3362723.732 3006736.159 4061908.233 3706219.421 3592570.245 4485447.247 2195301.86 2537665.919 3-hydroxyoctanoyl carnitine 8861152.777 11296618.94 8694881.308 3232722.125 2751651.131 4734357.884 5076402.516 6428221.635 8266710.808 10207057.54 11315831.35 3399269.697 4167113.673 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-sulphate 2561906.6 2622350.682 2439776.238 28978214.04 25409812.46 15504766.22 11487272.14 16309288.88 18222352.13 19591846.14 21019386.29 11325401.54 10240933.24 N-Acetyl-1-aspartylglutamic acid 1104630.705 23231372.96 16038710.24 5089616.107 10426013.76 7456311.482 23703231.54 12173038.35 7727250.2 15440888.22 25529415.99 1141286.449 4219089.442 Propaphos 315089.041 958305.9527 868675.7581 427926.118 1077519.465 433467.3081 2603275.354 1433375.642 825284.5009 2090296.477 3066847.435 305309.2543 429904.0816 Pentadecanone 1871019.883 2918180.59 3165082.017 5745853.941 1937575.752 5747497.988 3913540.745 2924307.158 3935219.998 5196920.126 7737959.809 3982755.018 4443125.961 Oxostephanine 5716182.35 13272118.65 17114534.1 3433260.974 2986034.362 5063061.073 4501306.246 3628940.616 5061243.792 6661241.712 5985088.453 4787995.577 6204571.338 Convicine 252014.1328 423661.393 339923.294 1736708.721 3196754.575 5834132.362 6537229.327 5421982.424 5424074.522 7686681.462 8867161.284 3872068.392 4371882.581 2-hydroxycaproicacid 6585180.016 10352594.34 10397435.03 35661539.81 25881798.04 22366667.85 15358476.36 22130971.03 25885410.94 16882852.13 31826121.2 12850391.05 32359021.08 3,5-BIS(TRIFLUOROMETHYL)BENZYL BROMIDE 182991.4972 265013.1309 245272.9959 328519.364 331448.6141 331493.2863 324431.6902 369887.3927 349845.4852 373488.6257 365764.8755 346360.4779 378964.6308 (S)-Ureidoglycolic acid 3082832.805 8353199.745 5499668.559 7086860.288 3857767.095 5444833.066 3439200.483 5557205.137 5357998.895 3496670.242 3939560.122 2240923.094 3126008.584 L-Glutathione oxidized 74999668.25 180723675.1 142148443.5 163803213.9 75797313.7 118015060.3 67609920.59 106023162.6 98921816.13 140577510.1 154723256.6 43878745.73 48383371.08 Glutamyl-S-(C3H5)-Cysteine sulfoxide 455159.0154 765257.8673 680557.6109 419637.9151 925197.1849 941344.905 752149.6116 831130.3586 814582.208 1293384.614 1253902.663 664075.9809 605246.4016 8_11_14-Eicosatrienoicacid 2460248.495 3644464.386 3412524.877 5432366.391 7221211.198 5993796.339 7986545.055 10056289.26 7410059.218 11697740.3 13876162.19 8329289.317 7872663.575 2-oxobrimonidine 32626.31662 223796.0609 358562.6924 138602.8978 51444.39835 175200.498 194052.4484 128140.1409 106155.9046 102290.319 195005.1894 200179.3594 76954.51331 [Similar to: L-Glutathione (reduced); ΔMass: -0.0108 Da] 331429.1567 525572.2931 505655.7087 366278.9296 211814.9084 551514.8146 270668.5472 206744.0284 325984.8165 1498519.649 942740.8855 211615.4251 257210.5023 L-Glutathione (reduced) 552858104.6 726909245.4 538891640.3 496017886.9 452851205.9 318052495.5 373026057.5 452278653.7 519312745.5 388275756.7 299433118.8 392711452.5 372956913.4 N-[1-(2-Oxochromen-3-yl)ethylideneamino]pyridine-4-carboxamide 3407272.758 4044556.672 4370605.826 5192524.258 5039186.189 5359260.827 3809596.155 3681296.605 3707041.484 5648299.855 7388428.525 4270566.203 3358318.175 HYDROXYFASUDIL 15251339.63 24546906.21 21534207.79 17573453.07 12875765.18 22722642.1 15163531.93 16908732.55 15759256.47 23217095.13 22640938.61 12836189.01 15975817.25 2-HEPTENAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME 122003504.9 182153252.2 152434757.9 129339363.7 127797836.9 141758987.6 176634089.6 185900648.7 186242614.1 206546784.2 189988733.3 132625343.5 158033915.9 γ-L-Glutamyl-(S)-trans-1-propenyl-L-cysteine 3169171.306 4749656.54 5549314.33 7289410.979 6910628.02 9890671.428 6228429.111 6659651.063 7340663.373 9956992.336 14801439.88 6566819.754 4588397.462 LDGTS 26:0 382317.6254 1403419.982 2078075.041 1588937.282 1383645.856 3215215.817 1569330.22 2058181.874 953348.0551 2322992.48 3139331.774 327098.0063 291651.7669 PE(24:0/PGD1) 2930426.169 2446447.291 3763443.933 12015856.98 14161960.98 17650818.65 9820038.427 10464471.9 7770364.859 4573159.183 15922817.62 9376114.836 9917039.782 PE(PGE1/24:0) 5986623.028 3181891.09 3122192.474 2051310.722 3449840.93 3610855.268 2961081.416 4064557.267 619732.4635 2767033.405 3520134.784 652537.4642 634224.2366 Chloralose 4274225.467 1681541.101 6916121.501 5741695.661 10876214.39 2570326.077 4277364.099 7397037.282 2277261.872 9877570.241 1174242.353 4304827.386 2664316.23 Chlorocitric acid 5964173.027 14821994.29 8078016.746 7256313.712 4952590.653 8946421.651 5284193.033 7264033.888 5742891.131 5575848.845 4846147.51 2047833.372 4065931.17 3-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide 7906262.009 13974230.85 13000517.11 21834027.95 18300143.27 7580991.058 7301163.521 15475340.17 15098856.93 8502913.976 9553772.483 9582405.773 6603275.344 Clobenpropit 121435142.4 182091167 130310866.1 68863969.78 57292754.05 56239355.53 56720655.27 38093473.39 66968686.64 63357208.23 34450138.9 53194441.81 57672495.46 Bisdemethoxycurcumin 8528679.947 13616499.5 10767644.76 20473296.37 17230777.08 17349146.15 14716938.54 15813475.66 12242393.86 18130613.56 17541086.21 9597174.314 11782037.66 Warfarin 4187757.597 4055740.385 2789071.154 4929895.9 3384948.81 20782354.04 2141844.033 3172839.815 2180000.501 3661603.134 4920332.037 2400420.136 2441920.364 S-[(1Z)-N-Hydroxy-8-(methylsulfanyl)octanimidoyl]cysteine 15493429.49 47466927.18 23864811.2 13306957.31 9398140.15 4908471.727 5927841.388 11977417.25 13827553.06 6725095.468 8374981.795 6748771.425 7896753.797 Fructoselysine 2437115.817 4011115.315 2438374.48 1832015.108 1348019.162 1971211.047 2041549.19 1985769.873 1674772.973 2920870.264 2864887.613 2369036.212 2768184.509 3,7-DIMETHYL-10-(N-METHYLPIPERAZINYLCARBAMOYL)-(E)-7-DECEN-2-ONE 1713202.198 1085658.954 1419442.843 1997644.108 6150220.469 1476063.727 5161962.985 3426544.1 4605375.64 3396003.864 1862490.219 1537622.727 3198652.819 Icosadienoicacid 2125838.08 5515837.724 7346193.229 9215506.914 8951468.167 7541091.954 7600785.009 9827218.637 7165222.064 10680476.76 11826845.64 9257695.177 6448759.372 PGP(18:1(12Z)-2OH(9,10)/18:3(6Z,9Z,12Z)) 1027484.215 3447645.107 4039688.6 13369618.63 5837995.052 6976881.85 7239855.259 8813691.507 12648913.75 7167132.07 4315429.96 3551089.853 7013111.246 Glycodiazine 47845959.9 72149247.16 32560470.95 28914681.96 30688047.16 14870135.62 21108006.01 30418887.95 22296396.13 24994557.49 7864016.607 17802269.61 22696392.48 N-Acetyl-β-neuraminate 500739.153 717648.5702 442266.4064 1066227.859 470440.3903 659347.2708 436975.9803 652524.6776 1089372.179 663430.3152 812493.3098 300326.1345 514248.0096 H-Arg(NO2)-Obzl 24793.60482 40490.19778 39359.01614 48839.77895 39173.02427 74265.68315 60908.25036 50511.61084 54597.73258 71706.24662 89521.43876 80907.9017 87876.54215 PE-NMe2(11D3/13D5) 4018998.471 5364876.483 3763443.933 20078074.6 3675350.633 10580188.3 12781119.84 10077090.2 13155787.04 8020512.091 15922817.62 8784146.74 9917039.782 5'-(3',4'-Dihydroxyphenyl)-gamma-valerolactone sulfate 1121711.528 1379536.053 1362693.379 8615216.038 9934389.598 3925091.905 3528372.925 5322674.588 5102346.057 3359981.554 1912957.22 3277135.739 2785805.373 Cl-amidine 222657.1785 258598.2983 226175.6977 286227.4827 255108.2308 293147.2561 273279.6765 260362.1568 274883.2203 333062.4238 368814.1403 255222.9153 286665.4051 (1E)-1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one 561447.9966 782585.36 1023112.062 1733173.21 1776067.77 1514822.632 1511345.213 1926182.295 1482880.228 2183414.945 2040241.523 1649656.291 1695058.58 Botrydial 17582688.04 18553074.27 20816851.92 29245277.78 30297990.49 29267906.36 23487255.87 25507656 21363212.68 18693562.53 31163016.67 18623222.91 15516373.86 9(S)-HPOTE 13366484.59 21114286.32 11397765.74 48360304.46 36081926.49 22327062.81 26527372.46 33588005.42 30677620.79 31074779.27 30722626.14 24064278.74 25592472.1 TETRABUTYLAMMONIUM CHLORIDE 757561.6236 3668463.312 2958716.082 5861369.542 3877249.365 4853645.239 3826664.511 4622080.627 4604126.487 3737063.08 4990736.255 4876152.583 4278116.371 [FA(20:0)]11Z-eicosenoicacid 1654157.169 5750330.852 6048303.967 9602481.906 9007452.712 6821668.878 4869693.683 9148750.876 6625098.689 6409415.276 9097329.099 9479332.747 5526107.58 2-trans,4-cis-Decadienoylcarnitine 1629712.382 5285095.522 5631247.066 3204180.444 2512678.085 8497318.654 4458334.328 4857928.085 3400333.498 11585520.73 12098836.98 2153353.003 1634492.959 Cer 16:2;2O/2:0 1955914.948 3722444.886 4186259.834 8158921.517 6509795.73 6024858.34 5962086.747 6748099.514 2371653.964 6827102.215 8096253.212 4565145.837 4992682.74 3-ETHENYL-2,5-DIHEPTYLTETRAHYDROFURAN 14243590.58 31353189.3 58200769.76 64628136.18 81802203.08 47590374.79 54280715.45 74239699.35 29595306.49 59743217.25 92311470.04 57938996.86 28443610.42 Thiourea, (5-phenyl-1,2,4-thiadiazol-3-yl)- 2670938.17 401605.383 419693.6471 484232.1991 496386.4934 484069.0233 3350607.248 2751621.711 2224465.676 497435.5392 482377.5049 2511381.317 2109500.272 (9S)-HPODE 11277714.1 11767923.29 15699763.79 16152574.72 11838973.59 12675553.11 14113584.48 17906218.15 14922874.22 13861427.69 15378612.44 12326541.19 10585724.74 Cer(d20:1/18:3(10,12,15)-OH(9)) 6248811.245 14764221.32 13170356.13 13489824.37 15026407.15 20163811.04 11664745.24 17978798.76 14380348.19 16765792.57 13504903.96 7737529.252 9565184.504 phenylacetylthreonine 8300808.509 1273694.67 10138875.86 22769731.09 27251615.49 28070459.31 31481404.7 19365738.69 29978466.13 29955440.64 34537226.92 41379100.4 32789687.47 1-Methyladenosine 9860942.431 12388091.05 11223883.19 301128.8482 188719.3522 305474.8994 210269.2075 201664.7524 398102.559 584960.4959 1018091.466 546407.4723 273107.4295 TRIMETHOXYMETHYLSILANE 10385909.12 12861733.38 11618667.06 629549.1343 531731.0815 719092.4872 518534.7119 640340.2767 654745.8449 890111.4184 1463777.623 692037.975 467532.5053 Decenoylcarnitine 20178515.2 51341472.98 60747996.91 19143787.95 14189340.65 51567473.62 39066423.41 48840986.75 34853714.43 65441595.94 67818780.83 22883723.17 17788297.18 9-Decenoylcarnitine 5830667.752 10877285.82 12556342.7 5770798.805 4878706.259 6084747.47 11109463.02 6745523.235 6171550.502 8323642.397 6894607.663 5295507.994 11236100.76 Cer 16:1;2O/2:0 2886751.398 3722444.886 4186259.834 7866662.239 6509795.73 6024858.34 5962086.747 7014560.267 5460002.734 6827102.215 8096253.212 4565145.837 5221379.97 SPB 19:1;2O 699776.0614 2579104.641 3099678.995 4523103.908 2925315.017 3099951.197 2211526.746 5202188.373 3742320.302 4525801.587 4650777.232 4250476.721 2108119.671 D-Erythro-imidazole-glycerol-phosphate 170786.4569 471735.4847 813542.2429 606222.8485 690953.5243 971232.4888 832568.4619 761876.7631 743452.1098 943799.1546 815208.3641 736398.9724 855033.9932 Galactosylpyridinoline 2045111.463 803833.7242 2775581.61 1901437.891 3489815.409 645786.963 1717610.093 4592706.073 4276272.805 6089204.95 6028057.038 1895159.075 3496836.116 Avenein 448668.6955 963151.265 696224.5217 969496.5697 313044.997 1631941.739 557448.924 1083175.322 860135.3499 1351266.443 1214367.196 849935.0483 812341.6979 6phiC9SPC 3884974.894 8823334.098 4089162.842 2862448.565 7361666.086 4135965.174 2925649.934 1143930.399 1172348.406 1229767.791 1287074.481 1178054.924 1319185.896 Clomipramine 345157436.5 405276568.1 353156185 349446346.6 300935228.1 306268204.1 312548061.3 362696042.6 359846597.4 307883505.5 300823346.6 268741883 294433523 DG(16:0/0:0/18:4n3) 6248811.245 11414333.13 13170356.13 20025742.99 15026407.15 20163811.04 11664745.24 17978798.76 14380348.19 16765792.57 17612795.87 7737529.252 9635308.015 N,N-BIS(TRIMETHYLSILYL)-3-BROMOANILINE 230744.6991 338535.6647 301139.5462 338469.6624 264894.4797 308789.3667 243419.2748 304159.6943 301557.9675 326197.1806 374838.0005 239203.0584 283385.8801 N-ACETYL-ALANYL-VALYL-ALANINE METHYL ESTER 431791.648 394154.3062 403369.5933 2920679.892 3299677.819 3129787.629 3686727.278 3065892.13 3297311.069 3013931.193 2686337.616 3099381.182 3296819.561 butoctamide 79064.0507 255701.6793 682594.1555 338480.3175 524804.4168 797700.0197 481160.1204 339409.6496 426831.7606 342932.1692 295625.8043 490469.0077 376156.7887 Decanoylcarnitine 12898834.15 29769903.61 28303363.67 9523085.221 9238010.733 19060760.02 13752485.85 16431686.41 17676988.36 20322892 28982270.62 13138675.09 13448934 LDGCC 26:0 130080.9729 1180961.984 480057.4474 3425138.991 2407115.564 1661643.954 1027679.086 1102962.819 966684.0091 1726264.103 2639624.484 355944.2302 635718.4391 Benzoyl-CoA 3623871.761 2476026.86 1924068.407 3245291.614 7036013.768 8257415.431 6238454.006 9738929.067 9256252.859 6145888.391 4540938.981 4719230.004 2474858.395 MMV084864 439236.8446 2230703.048 1437308.678 2228073.296 1558974.319 2335844.048 1400726.348 1622909.037 1771224.891 1663868.036 1995146.151 1238668.834 584003.4362 Combretastatin A4 525167.3089 1162181.529 975914.5053 1959979.384 1501355.583 1865204.62 1098160.384 1249522.87 727329.7826 883907.663 1455853.985 136740.4933 253886.686 Glutamyllysine 45310.23133 84879.04503 77798.98816 89229.81966 79755.34734 139182.0491 98048.05435 94351.86187 85635.57383 109279.6865 256510.0287 424155.8168 268965.6032 NCGC00381270-01!(5E)-4,7,8-trihydroxy-2-(2-hydroxypentyl)-9,9-dimethyl-3,4,7,8-tetrahydro-2H-oxecin-10-one 5474629.323 8242355.289 5563192.181 26490433.08 14001549.53 14356367.09 10871375.33 7513235.51 18557184.47 14573970.17 5364618.764 12346086.13 13838307.63 DAG 14:0 6040150.026 5237708.694 11967284.96 13205216.23 12186111.97 9778921.268 20779520.17 11110415.4 18892298.29 9967857.905 24939495.87 8480506.335 6184529.373 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate 1740999790 2346747365 2156799719 1813866872 1593887916 2092178453 1931921279 1922087793 1904730454 2118098096 2103261480 1573278454 1779660546 Oxyphenisatin 51163.70459 89050.06027 98331.6126 403301.1299 108376.3803 117791.1516 356305.7398 102836.0457 1023466.711 129911.1011 728610.3223 83945.63029 81541.11265 (2S)-3-(1H-Imidazol-4-yl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)propanoic acid (non-preferred name) 10778909.56 35904154.67 20374745.99 456776.0271 511267.7662 856032.5693 780815.017 1306715.972 1251125.844 593017.1014 725292.844 563257.8549 893413.9931 Piplartine 2672585.014 5173152.853 1603829.812 11510095.91 6276318.015 6596115.866 5537646.132 1620309.526 3768679.145 3642015.679 5335523.228 1508712.526 2375104.856 Myristoylglycine 3549990.242 4261510.051 5756181.514 9614177.427 8857372.797 8188864.722 5733875.632 6578967.496 6000648.203 8243503.411 9465570.036 5028786.768 5788160.633 (2E)-3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-propen-1-yl hydrogen sulfate 364341.8856 623039.6118 544107.8339 1461044.909 1293801.143 1375779.23 1038525.332 1665839.541 653432.4394 1683622.711 1042254.605 1136996.116 1897436.696 Tebupirimfos 715175.5599 1479350.451 616453.9908 1179966.955 485093.6168 975804.0213 265521.4805 729164.4867 1136563.699 732973.0993 1328456.682 246043.76 564681.7735 Ubiquinone-2(CoQ2) 1473296.522 2036631.937 1808318.376 3878756.979 4003818.801 4715232.337 3796068.204 3644181.709 6392359.67 4724511.345 3683616.399 2646193.243 4789894.314 Pegvaliase 2676893.158 4446726.155 3916931.549 7176989.602 6333890.787 6420756.919 3804693.599 3101358.533 3714913.774 5447597.294 4968727.193 1303369.782 1560499.473 Kauralexin A3 1862254.713 3034867.095 4477864.344 6721589.489 9369087.289 5844064.31 8705077.294 6628037.905 5358593.507 9638404.858 8117149.987 7230345.631 8068418.689 C12EOx 3240133.5 7061314.581 9294669.401 14048254.54 15037498.55 13165905.3 12186288.42 12502660.32 12822133.26 18119963.29 16517139.44 12333033.42 13786093.55 triphosphopyridine 2671399.74 20151003.75 25546673.64 42582523.75 11950175.74 42418384.23 9467793.078 39133398.44 35124753.43 58017106.68 84922756.49 3539788.691 10956113.98 2,3,4-Trichlorobiphenyl 23483790.17 27992694.11 18379101.81 13431774.48 15471804.53 17228416.51 16363490.78 16314834.04 16463824.89 13026478.89 15833775.06 16170575.57 15135131.79 Pangamic Acid_major 1119962.993 2268435.715 1411176.51 2339469.513 1623076.794 3864128.62 3015160.169 2716557.702 4583889.171 809090.6707 1520851.57 4130895.206 3786126.299 Palmitoylglycine 10950079.94 21064852.59 23626170.9 33103860.36 35338066.33 37788763.6 28134017.5 29568875.78 30989331.92 35637063.11 30791183.73 25485326.39 24625510.65 MMV687248 9624957.64 16945797.35 14934295.36 11763118.56 10175512.94 17105839.49 12198583.79 8749004.497 9357749.418 11395211.18 13104924.28 6326576.384 7135087.602 Eterobarb 414985.59 649277.7434 683920.9081 686832.0008 754961.5958 1277928.672 803301.241 746462.5878 564505.524 625834.9821 1167937.658 261299.0566 378033.5667 cepharadione B 2563341.893 4826742.398 3265693.52 2086360.406 3279339.284 3755612.156 3854243.855 2475079.762 2007207.432 4648490.854 4279809.26 1572054.276 3385317.518 MMV688554 6685545.508 2320970.386 3136518.476 1315480.957 1338897.231 1363499.477 3165434.968 4450243.774 4748293.512 1529385.191 1402761.491 9502982.778 6881437.503 (-)-Phaseollin 61955.85004 268699.706 140106.9027 217984.2883 217371.2186 319328.4236 207019.9291 164274.0797 123669.8543 247960.761 320691.0087 149412.8619 221627.3309 2-Deamino-2-hydroxy-6-dehydroparomamine 2188905.891 3077303.114 4132911.671 3414510.47 3955128.304 1986324.585 4311311.161 4641335.519 4588950.718 3412358.722 3574262.015 2592792.629 3535956.791 3-METHYLENE-5,5-DIPHENYL-5-TRIMETHYLSILOXYPENTENE 819178.8235 1368647.817 1699497.316 476277.4569 936703.6459 611421.359 632902.8738 1220243.702 978789.5218 1061778.361 2442023.011 108791.0817 512663.7991 Geranylgeraniol 608486.5518 2503775.705 2821290.991 4889149.44 4480516.092 3966965.021 3742863.066 4478536.263 3940257.374 3700876.638 4682262.061 3566496.575 3245882.856 O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate 4263017.913 8913748.874 3406627.398 11814252.25 2721538.063 6430998.235 8351483.271 8648720.766 11019058.62 9063234.861 6176716.571 6669796.139 7562059.991 CMP 9560667.326 14720201.58 13455493.08 20046391.86 16769763.29 21744676.12 14929624.97 17195947.96 19731315.15 17085152.94 18755683.24 13350370.06 24712961.19 Cytidine 5'-monophosphate (hydrate) 28434379.92 65358798.44 52685073.15 59485785.58 41566952.31 59609768.76 51724371.43 47401497.54 47954077.84 42874369.2 48818397.97 34030702.97 40788043.23 PS(TXB2/20:0) 44290.78744 48013.71044 50387.05837 12548511.16 7970813.762 5999400.419 6950299.567 9421004.408 12598228.48 3557021.074 6471984.094 4578446.473 3479560.317 2-Iodobenzoic acid 26780.9338 29357.30339 31764.3373 12446268.03 7868750.995 5930386.629 9743758.696 9078871.787 12478004.49 3467719.298 6284762.17 6049847.919 4943785.613 UMP 21485663.47 21425858.46 23526799.54 32761350.22 39566908.92 30937728.32 33884431.69 36002704.16 40703542.86 30900878.33 28429247.15 35586554.86 30890297.42 nacubactam 2326888.921 5553443.38 2690597.034 1443308.13 1512346.29 413376.9065 468911.819 331013.3332 391103.2574 204226.374 196946.9101 232907.7574 183745.437 Bis-D-fructose2'_1:2_1'-dianhydride 1220354.001 4277094.591 2954876.989 3964416.712 2646918.264 4631275.143 1869798.396 5316209.651 3657288.943 1407773.314 1402455.601 4209772.318 6167472.109 2-Deoxy-L-scyllo-inosose 2188005.45 5925835.526 6139043.913 8578183.221 4335397.57 8934326.068 3175878.438 11407712.18 7913591.995 2254050.151 2217418.377 6649869.679 10489746.12 2-Deamino-2-hydroxyparomamine 16863407.09 37904901.13 29766408.83 34001206.47 23079748.64 17175665.03 13632392.23 27316753.42 26662361.6 23276172.06 24931791.95 11492054.62 11966825.93 DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0/i-14:0) 369142.2288 1749654.625 1655488.567 6101179.988 5669988.98 1412448.178 438042.986 1540138.331 1122461.126 1605399.47 2925028.937 1490413.615 1533948.073 14,15-Epoxyeicosa-5z-enoic acid 3577447.128 5354776.563 7529421.532 15966108.73 14568589.38 9870287.486 9194763.049 5919099.667 10625743.78 9410432.376 19880170.98 14232882.24 12526909.62 3,4,5-trihydroxypentanoyl-CoA 9821640.294 11604537.49 11049790.94 9172758.333 7492462.061 6067022.685 7489439.226 8729749.377 4655029.79 6971951.567 9088927.646 5078393.071 7048025.248 2-(3-BENZOYLPHENYL)PROPIONIC ACID TRIMETHYLSILYL ESTER 21497634.57 26551617.81 7187593.187 13545525.09 11962671.33 7632601.546 12963426.38 11529358.17 16440609.7 26082545.51 27877365.26 9963175.871 13236909.83 2-Oxophytanate 3055606.386 5669260.162 7043282.948 10351351.95 9445444.208 8417982.473 7361871.989 8894835.903 7911404.074 9713679.351 12689861.17 8001181.109 7698029.896 N-Acetyl-L-tyrosine ethyl ester 100214695.1 134140503.3 100411095 68891814.49 96519123.02 113498074.6 58203159.34 112104454.2 106739354.4 97204147.34 109447146 33924685.71 62386529.79 PE 6:0 1453206.623 2975772.761 1465566.115 2717847.377 1445952.082 4127051.488 3754855.656 1797175.17 3021671.068 2841416.481 1239875.325 2170921.949 2180163.93 NCGC00160300-01!2-Formyl-komarovicine 3093207.899 2822775.126 3270062.913 1616483.688 1607995.929 978808.7617 1744094.612 1358409.033 1657184.804 3428235.998 2679331.253 642379.9044 1162971.624 N-Palmitoyltaurine 1746125.553 8051845.315 7085427.282 711722.4956 766178.9937 1324351.596 701599.7343 548657.2085 699731.8373 1151952.019 3426002.943 1938082.756 1973184.83 10-Nitrooleate 76616.914 95147.80051 75020.91056 294230.2869 49843.45076 48487.57927 49825.03614 54628.36919 279369.1225 56542.65036 51364.80064 51124.2018 101695.9096 n-methylsphingosine 1913388.378 3456488.158 4190957.446 5104089.437 5556441.767 5974458.81 4043217.779 4819039.86 7099814.168 8931538.213 8229846.715 6125626.737 7409185.044 Quinocetone 902300395.5 1607474406 1290334797 1052333244 801749175.8 1379635082 1064972715 1097500723 1023167513 1293717915 1358328033 761952948.8 886560394.7 9,12-DIOXO-5,6,7,9,12,14,15,16-OCTAHYDRO-6,15-METHANOBENZO(A)NAPHTHO(2,3-F)CYCLODECENE 734533.7038 416020.6476 914128.2864 4283126.658 3000586.148 3616472.433 1616212.947 3185246.197 2964631.617 3241940.217 4139579.996 1082484.221 1221543.582 (1S,2S,3S,4R)-3-(1-Acetamido-2-ethylbutyl)-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid 28080.77018 340520.3168 38474.31377 502166.6117 335279.896 49956.70624 43396.27604 292256.4084 118580.6188 311031.6739 334921.8246 113559.2721 70776.80986 MMV676409 334310005.6 622003943.1 549307320.5 275300264.4 256500088.4 209552705 192569855.6 194377470.7 237152864.9 234600414.6 219293903.7 177507573.3 175531862.5 Glutathione 483858854.9 817839914.9 698698908.3 382684130.5 378546548 306488379.8 323399181.5 365940147.3 356732751.2 359811924.6 320318001.2 282026765.2 290507976.4 (2S)-N-TERT-BUTOXYCARBONYL-2-(4-(1-ETHOXYETHOXY)-1-OXOBUTYL)PYRROLIDINE 7380948.963 12099218.91 11687816.58 8250047.467 3559692.527 3726251.119 4550740.267 7911082.275 8868464.455 9233370.465 11991057.93 4874428.511 5629834.24 Cer 17:0;2O/2:0 75488.98654 124118.1805 111362.4015 188360.9448 126116.7858 126231.5721 86746.86104 140254.801 84561.90062 280382.3514 274492.7328 114047.6342 63285.48557 athidathion 2297438.157 789049.1829 1516668.691 1223443.325 1059975.501 356823.5035 380990.7143 398151.3981 376578.0391 402027.8101 1638512.509 414818.6563 432189.4913 Aspartyl-Glutamate 42381684.44 77540138.44 66243715.29 34413995.75 12534109.32 27606519.38 28017341.05 31450483.21 32164746.11 28466478.18 30360259.56 25235384.71 25326626.28 Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-acetylhydrazide 2813742.833 3176912.024 2744668.166 1641897.981 2989223.094 1360559.123 1339956.955 1273568.511 1598207.197 1283683.786 2353568.1 1423887.022 1452915.175 4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole 548474.4886 619349.842 606974.7695 1546754.781 1505055.439 1489997.302 1752544.38 1583618.839 1655266.139 1541534.087 1575840.48 1795058.961 1681395.364 3-hydroxydecanoyl carnitine 3065576.506 4557115.734 3284649.315 430998.7384 499035.0983 1191627.851 1469339.029 1892931.699 2224604.241 1939612.149 1768073.382 1435035.955 1719377.845 PFSA-Cl; C4HClF8O4S 8919773.896 900597.6804 949577.9603 1062845.084 1113605.354 1087522.156 1071686.958 1088501.803 3762873.611 1105614.367 1596946.045 10415939.58 11644127.59 PC(24:0/22:0) 695396.7389 948504.8392 671761.9867 746556.3807 783493.0481 929000.8983 771340.4188 760159.9367 795914.7436 786691.1495 768437.2981 4892842.823 5523229.284 3,4-Methylenedioxybenzoic acid 20318359.03 21793887.06 21021787.13 14786129.9 8993113.495 13262451.73 8979885.473 12316246.35 18633341.24 303055.3776 218299.5498 1015286.16 331690.2237 4,7-Diphenyl-1,10-phenanthroline 118296358.4 162377740.5 79808940.38 90043269.92 93590225.32 115837215.4 132056845.4 131799759 121743338.1 163638053 169966048.5 92391600.33 102325168 N-ACETYLGLYCYLMETHIONYLGLYCINE ETHYL ESTER 7295023.371 20868063.26 16905104.53 14642599.28 8346654.665 23332082.23 15780379.88 18004945.06 15792935.33 21430101.52 11166755.74 13975630.96 16499494.67 DECAFLUOROBIPHENYL 27075055.51 10354403.89 10390143.7 25062026.53 24423551.67 27175864.25 25403907.03 26176552.48 26827603.36 26968338.59 25478346.42 26303263.51 26365724.27 6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid 116975259.1 123630951 123662728.1 115943261.7 114714187.9 47924486.91 128328226.9 131649077.8 125272184.1 131254799.9 129479878.3 124504233.4 129419767.9 MMV611037 2157221.773 3364107.011 2571106.456 4230281.512 2972628.886 4080670.533 2853620.821 3485792.061 3730707.559 4208897.478 4224987.411 2330721.969 3088677.903 2-(alpha-D-Galactosyl)-sn-glycerol3-phosphate 8690083.674 16853276.08 13029398.32 17273612.81 11603709.34 10444817.42 10105386.21 16336184.4 15794953.23 10466792.4 9840901.001 10760969.49 11919156.06 Glycerol 1-myristate 14625887.77 26486671.24 29259670.93 38046843.77 39689936.44 43313569.74 34162387.07 33430778.63 36381455.45 43410941.31 33813052.44 32339374.03 30866878.88 Pesticide4_Zoxamide_C14H16Cl3NO2_3,5-Dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide 80602.2881 123832.0401 117363.6939 1290745.975 1556433.92 135250.7524 127467.1524 205409.5284 326090.2969 134199.426 227403.1989 216209.0026 264825.0923 N4-(Acetyl-beta-D-glucosaminyl)asparagine 1528659.663 2972044.51 2003702.019 4004519.241 2648483.946 2594969.377 1789746.32 2827199.321 2565277.559 2416736.188 3037664.692 1410306.308 1413840.003 Arenamide A 3930013.276 2355152.545 5854340.315 7953274.867 10831916.61 5392717.359 4269626.189 3847615.537 6255205.11 4186093.131 4236907.98 1787604.311 2216332.379 N2-Formyl-N1-(5-phospho-β-D-ribosyl)glycinamide 2022647.045 3216279.419 3213204.167 1092567.947 1065334.31 1133988.833 1163868.664 1223330.242 1359818.207 1300264.068 1391723.372 2475879.844 2791191.904 Carpachromene 41981439.37 51743966.73 40100592.91 22442050.7 25348863.5 35186172.86 24086373.16 17259626.5 23599322.01 26470652.56 50116191.85 17648205.51 20901289.26 9-methoxy-4,4-dimethyl-13-phenyl-6,14-dioxatetracyclo[8.4.0.0²,⁷.0³,⁵]tetradeca-1,7,9-trien-11-one 222532327.6 265605161.6 230669077.6 230706067.2 192515329.7 202306506.2 203185229.4 232298152.6 227380542.5 199015950.8 198908330.6 170636721.3 185940919.3 SERATRODAST 3679705.475 4820692.147 5691443.295 9339794.927 8716105.522 8048217.372 6945497.415 9215144.186 7206458.697 9211369.986 10329880.07 7101813.82 8344328.909 makaluvamine P 2780544.399 3412145.714 3874035.134 6361558.663 5660811.318 5561397.175 4628045.865 6200900.695 4980675.316 7254456.101 7009722.257 4673164.224 5591102.786 2,3-DIMETHOXY-5-(DECYL-10-AL)-6-METHYL-1,4-BENZOQINONE 2041433.647 2356428.211 2194201.506 5897875.471 5839673.715 4031582.231 5185478.973 4065466.225 4361456.808 4068621.831 5654376.418 1821844.364 4236320.831 3,17,20-Trihydroxypregnane 1069050.439 1948160.952 2432622.011 4143653.678 3292340.42 2731116.05 3592205.725 3601115.006 3635284.791 4495485.08 5350169.345 3241414.859 2791585.287 Thenyldiamine 133322.4163 148074.4351 141709.2235 213171.6999 316239.1373 187744.2282 151709.8051 169911.3109 229633.8262 263625.0326 229515.3182 488666.1071 292220.1462 suloctidil 724850.6207 1844955.253 1956152.749 5998979.261 9985938.967 12860914.88 9227674.289 8896805.137 7663941.67 10303513.75 4281573.177 4166126.321 6628679.647 3'-Deoxythymidine-5'-monophosphate 8839542.134 7946002.507 7858567.358 18418117.04 20834115.65 23481965.77 23023991.2 25016120.18 24646754.39 27295824.26 25886360.52 25035806.13 25302520.89 2,6-Diaminopurine 9231729.199 11189563.15 8817162.841 19958883.05 22510559.67 21191593.99 25042159.78 26661012.24 26539021.03 29392024.35 27188413.84 26351665.26 27272673.46 resmethrin 3707267.912 5324090.822 8613565.665 7915279.705 8455086.835 9616519.105 8164917.647 10913180.6 9108918.376 11823829.9 6975787.435 10979989.53 10636966.28 N-butyl-N-(1-(cyclohexylamino)-1-oxobutan-2-yl)-4-methylpentanamide 232798.7599 193632.7271 218315.0854 531709.9082 596582.5806 524842.3637 738121.9904 701169.7324 900906.2101 815799.7574 738556.177 893775.7955 1051543.981 Ascorbic acid 3-sulfate 5317066.319 2336881.853 30121548.54 27310351.29 23113937.85 29608079.92 7520581.302 27099204.24 23728988.92 3433840.854 28789941.29 20255494.74 21012972.31 [Similar to: (S)-Equol; ΔMass: 96.9825 Da] 355181.9177 4569037.585 3321659.193 5542815.443 3323079.701 1702360.706 1399871.812 4416960.354 3536947.584 4722867.485 5429978.567 6321881.477 5946568.879 Amide C22 2489564.537 4267788.152 6585261.045 8381399.711 9726839.32 5504160.162 5603999.095 9422642.032 3899755.727 8965068.251 8792907.083 15342411.11 2561931.824 Phenylacetylglutamine 19254705.76 10066982.28 23893826.86 58524020.1 61129858.86 49947314.2 48114867.59 48738991.77 75962035.2 47070285.88 48533618.15 35918421.86 41069725.18 6-Fluoro-4-hydroxy-5-[(2-hydroxyacryloyl)oxy]-3-{[hydroxy(methyl)phosphoryl]oxy}-1-cyclohexene-1-carboxylic acid 6334442.356 19967553.15 19139325.68 14398527.01 13836718.82 18415721.13 16445419.73 16119217.05 13713300.84 20650460.69 6792600.027 13040335.22 14212670.77 TG(16:0/18:0/24:0) 677390.0876 799794.1627 378737.0738 939477.7788 812727.3559 739412.728 1746046.907 738553.1203 968403.7386 836294.6578 901884.8309 1922727.878 779858.6849 Methanone, (6-methoxy-1H-indol-3-yl)(3,4,5-trimethoxyphenyl)- 520421.2366 874983.0986 778138.2362 1029991.967 1057855.05 1076318.084 859995.3373 950300.6079 931379.7281 1478834.424 1433691.418 759293.415 692028.654 Diprotin A 995432.3307 893446.7278 933281.3813 973342.3578 977881.176 994162.0339 959593.3234 987840.2652 974753.8209 986975.2304 1037922.419 1021819.268 977746.8793 trans-2-Dodecenoylcarnitine 7233463.458 10906586.38 8995695.133 2199749.161 1848284.843 4227257.169 7540116.799 4684444.222 8464843.767 6551450.013 8009067.669 3370730.133 4038231.184 2-[4-(Carboxymethyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-11-yl]acetic acid 1689830.465 4359387.36 4025735.553 10952118.42 5273058.321 4999909.723 4158846.012 3785896.764 5212813.398 5862987.764 5387595.813 2674155.635 2931095.475 TG O-22:6_22:1_22:2 585421.8485 490104.7853 522143.5226 2485368.017 2530743.57 2815255.691 676316.2368 574374.2907 655795.8053 2302369.461 4017789.469 631166.9581 580573.7627 3-hydroxy-6-[[(E)-3-hydroxy-2,4-dimethylhept-4-enoyl]amino]-2,4-dimethyl-5-oxohexanoic acid 9871194.683 9899272.673 10517627.96 1267964.677 1891692.736 718106.5368 1403054.684 1591657.307 1545863.142 802654.1683 2564264.178 2818424.016 3244878.074 3-hydroxy-6-[[(E)-3-hydroxy-2,4-dimethylhept-4-enoyl]amino]-2,4-dimethyl-5-oxohexanoic acid_major 5308422.635 6898994.905 8266145.583 631951.0451 1335397.876 685003.5951 719349.9121 475490.4575 400153.5345 610639.8091 1373051.264 282054.134 2545137.262 Putative (3-hydroxyheptadecanoyl)glycine 11379951.23 88720061.47 80260754.35 15339787.62 20217280.61 25786133.89 30055976.45 53962158.78 41373756.74 90683511.47 70391976.11 25725671.38 18862289.77 (10-METHYL-9-ANTHRYL)METHYL PIVALATE 757045.3042 974954.4848 2193517.458 1598603.988 2787656.817 1632446.11 1987868.838 2253936.984 2392328.212 1637396.506 1858280.002 1977335.61 2359160.256 NP-016212 6894424.497 16344900.57 13670010.36 8005568.048 4174262.542 10054569.55 9783346.361 10249679.1 10833055.37 10517648.57 11354531.62 11278617.33 11150644.25 Azinphos-ethyl 122057.5338 193889.5451 180557.6313 256722.0762 214793.7911 242709.439 216095.4677 249917.4953 244717.6696 241162.3253 286813.8345 206977.5006 216776.1355 1-(4-Chlorophenyl)-2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 27917171.79 38558241.47 38901778.85 46949495.61 38779908.03 49955372.65 41543694.12 45512178.69 43097798.7 36856378.97 39314963.46 36375859.66 42432916.45 CDP-DG(i-16:0/18:1(9Z)-O(12,13)) 64478.69547 73122.82414 70085.31227 90230.7934 75631.82215 81246.65905 72418.89009 73494.63152 72721.53114 81485.27283 89917.276 72247.42366 65785.89334 2-Phosphonopropionic acid 1236750.406 1163242.281 1211572.113 1127385.361 1150577.25 1132707.729 1169692.997 1144972.716 1094119.846 1145134.843 1098759.091 1217927.535 1102981.252 Adenosine 5'-monophosphate 206484722.8 177773243.4 219085414.9 352930492.1 380745113.4 353007805.1 381559690.8 348464966.6 370908713 421196304.7 434582509.4 377901446.4 320183461.9 Cephalexin 64781304.98 79127615.52 67882310.44 73579547.55 60667371.57 62056557.56 60946653.34 73621285.54 71755307.9 61716770.65 63121621.3 55199856.51 58738548.93 Inosine-5'-monophosphate (IMP) 1421700321 1338340621 1380234446 1858672061 2346210240 2231191686 2599960680 2244244798 2293112188 1956724612 1824186349 2840356255 2792903387 5-Chloro-N2-[1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine 4511176.168 4620151.636 6649759.567 3053951.833 700259.0129 4955107.781 7832318.915 1509638.088 1483411.178 4562776.385 2451419.867 1054058.525 1195237.843 Reducedriboflavin 804201.1937 766009.0841 791546.0853 826115.305 883913.4189 835540.4164 862419.1924 860068.3755 862634.8948 845047.9276 863666.0096 988824.945 908491.1311 4-Dodecan-6-ylbenzenesulfonic Acid 715583.6177 2339156.987 2089533.973 1969202.868 2245453.082 1333145.475 1015754.362 933590.8283 843078.811 1287373.953 1717405.283 475781.3664 715242.3248 Tetradeca-2,5,8-trienedioyl-CoA 1625447.286 1653423.838 1573964.133 2506079.499 2794664.13 2697933.045 3067216.607 3114364.558 3085167.635 2327659.655 2270899.194 3388051.069 6389451.808 2,3-Diphosphoglyceric acid 2573125.667 5744545.941 7776749.217 16769523.68 15240195.83 11090681.12 7836726.411 14995651.14 14139845.25 10608138.41 9749503.293 8958628.34 10413975 ISOPROPYLHYDRAZONE ALPHA-ISOPROPYLACRYLALDEHYDE 210071.7861 219584.9387 209176.0924 340200.2865 296915.0531 347271.5954 275216.8623 280876.3821 309913.2531 209678.5842 425302.1891 232476.8488 295628.7724 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-$l^{1}-selanyl-5-(methylaminomethyl)pyrimidin-4-one 287755.1567 469929.5388 367617.3514 438385.8345 352564.6407 422118.8235 330740.8917 428660.0226 381475.0448 422854.5568 499046.0886 316785.557 350186.4944 Pentafluoropropionic anhydride 44119.02113 72604.7478 427047.5572 2076867.938 1188524.298 3689791.802 2747549.985 2981525.762 3637877.29 4321906.533 5659861.852 3251559.019 4735931.257 Epicillin 40446565.32 61924071.06 41599517.22 53782060.77 37970964.21 39708938.56 28180779.99 34044315.72 49882561.52 56765615.08 60477665.9 40505013.06 22368542.6 Cysteinyl-Phenylalanine 333217.5275 351518.6527 392019.9339 503810.9276 523929.4481 531500.6501 555480.8758 527676.648 510012.9612 533738.1372 528281.727 511345.6447 519203.53 Erythrodiol 3-palmitate 11149480.71 22454716.32 25017619.07 33815361.62 37884557.06 40052033.49 32427111.06 31009452.03 33016210.91 38467881.55 30927910.4 30159322.29 29319284.48 Thelephoric acid 9615319.659 8738718.243 9395791.309 5422936.423 14577776.7 9843452.307 7472883.729 10067988.83 3353332.927 6705967.816 12448793.85 3768425.582 6844138.859 Viridin 5436558.24 9234481.239 8403991.052 15673231.41 8951119.142 5785798.952 3488435.944 9275313.625 7594320.134 10791682.84 11744418.04 4006998.024 4399533.024 Hippuryl-L-arginine 20280133.77 109229503.2 26254129.73 51774866.08 29862717.64 25516939.94 20667752.06 26213785.68 21970128.66 39408234.83 57412426.91 6621946.574 10198630.35 [FAdihydoxy(2:0/2:0)]6_9S-epoxy-11R_15S-dihydoxy-5Z_13E-prostadienoicacid 16045102.14 29948017.99 31125205.28 59379041.54 12272685.82 38701634.52 42614854.32 16399192.47 38216137.51 47086670.87 52465826.87 33006894.09 35476753.78 13-DOCOSENOIC ACID METHYL ESTER 444487.2397 1127930.367 2235086.189 2609573.331 2825210.718 1135338.356 1703647.461 1922233.571 805385.9821 3240553.694 4154530.782 3126842.682 936617.5681 2-Chloro-3'-deoxyadenosine 671659.3381 1152040.384 1883891.184 1205810.663 1216562.3 1216726.267 1190807.101 1357649.536 1284086.914 1370867.646 1342518.084 1414482.93 1473715.439 (S)-N-Methylcanadine 830181.1471 917553.664 650594.4095 1452596.266 590914.1928 709902.7302 650944.5349 1395043.123 920000.0751 799618.2825 1473553.985 446236.5072 588639.0073 1,3,5-TRIS(CHROLODIMETHYLSILYL)BENZENE 1167681.498 7527490.129 10702172.99 41001407.68 22362476.62 15608384.97 5552242.852 28077422.91 24876762.83 31350940.91 35056952.74 7820575.619 9102668.038 3-(3,4-Dihydroxyphenyl)-2,7,8-trihydroxy-1,4-dibenzofurandione 604860165.8 630944399.7 659061489.8 659205690.3 632556606.2 636536178.4 529711065.8 579273536.2 534192008.3 731349263.5 805381079.8 457735611.5 507242503.2 thiamphenicol 3705727.101 4242422.373 3934631.071 13840120.19 14211070.4 6365642.303 15678305.99 5578485.017 15014669.79 13745261.74 5966638.083 13594700.21 16475107.3 Cysteic acid 7319969.002 7470694.603 7991013.009 3488604.173 6710017.523 4265967.451 3355249.602 6430129.925 5161152.188 7779244.225 8655205.733 5814806.658 3653394.329 Fluchloralin 24024427.4 51465408.29 40089469.9 14535468.87 10539673.89 26226694.17 27783335.16 14787453.87 26200044.05 38889957.1 27793679.37 18493255.42 14999414.39 N-(1-Deoxy-1-fructosyl)methionine 26679820.59 28919460.84 28491541.76 52549131.27 56251192.47 54213311.47 53140213.41 56116516.13 61540914.55 71910599.22 69190704.29 58480166.31 61847802.9 Cer 19:1;2O/2:0 303315.0306 873534.6281 1097393.479 1924717.4 1642519.109 1077068.283 1166107.157 1533775.257 1246778.221 1445261.54 1725061.047 997743.2902 1043093.284 DG(16:1n7/0:0/18:3n6) 145535.8387 210723.6493 175184.0525 179888.382 162286.7691 169401.3801 168527.8986 154901.7859 146270.1014 228516.584 243535.4197 108684.7087 111223.3824 CDP-DG(i-20:0/a-17:0) 30325950.27 725485.6965 826227.293 896536.0157 1602262.915 859991.4689 13512926.65 19753276.46 15392235.44 1104656.478 869092.9123 17422716.17 16531646.08 D-Malic acid p-coumarate 6623821.293 11644082.24 6414040.639 8610514.391 9078630.004 8356755.255 21086642.13 8554794.648 9137092.754 8192740.096 17610566.27 21929772.7 23950987.85 vamorolone 7993143.964 11899880.17 17793006.39 18845566.7 21124705.74 21379557.22 17693408.94 24024840.21 19860572.3 24387136.71 17406051.85 24652568.95 23022586.72 PEtOH 36:10 529452.5423 603068.7144 740139.096 1146540.667 1062693.726 1201480.71 805889.0853 735883.6486 934177.6396 884246.8986 850951.0879 553024.0942 721177.4217 2'-Hydroxynicotine 2223560.576 2581546.701 5156916.455 4627094.76 4151761.692 2007043.731 827087.4629 699784.4515 1010150.155 916780.6185 560870.7005 297629.1324 388294.0935 Triglyme 123520291.1 285946836.9 169467802.7 254466899 156147967.4 313080520.6 214628343.6 177293028.3 165385163.4 163690801.7 187438191.9 83670777.43 97197373.93 PRP_M358b 538087.349 2565478.727 3073045.973 6116034.481 3186561.706 3257734.896 1723368.653 4757921.546 3571498.931 5984148.169 5651539.006 884445.9221 735700.2805 LPS 6:0 3824721.585 6149507.807 6665488.142 3029498.338 2753466.789 2706277.752 2659614.718 1435260.355 1290184.913 1269033.62 3499930.093 2050549.866 1562487.567 PEtOH 36:9 2507808.113 4315769.987 2171077.3 3458668.113 4043368.242 4386347.24 5850279.417 3567177.015 2468108.358 7815938.848 8575753.749 4950783.551 5621771.33 2,3-Bis(octanoyloxy)propanimidic acid 3506034.94 6936323.984 6369048.818 219977.5108 463615.6997 1069451.615 1711439.57 4003113.82 4648231.336 6480213.401 5378670.796 2443429.737 2309146.304 Putative (3-hydroxyoctadecanoyl)glycine 348834.3977 2004789.489 2741683.89 1037641.044 451514.9588 1697935.989 1135099.848 1178708.089 1053077.247 5520449.782 4188131.168 986725.9844 814588.304 DGCC 15:0_16:0 201561.9352 776238.8259 807873.566 1063774.998 1087255.906 799452.4269 404858.4892 924838.6206 661851.9847 845972.9139 999808.9145 133037.8874 377410.7495 N(omega)-(ADP-D-ribosyl)-L-arginine 3031916.515 2893635.803 2433280.186 3233061.458 3292002.054 11104718.54 7987117.145 5552612.653 6331549.517 4756003.468 5367074.217 3475271.904 4057822.79 MMV011765 179921.6285 263970.9096 234811.5374 581177.6386 1318166.307 240776.4336 189804.5437 1022508.182 434552.4997 248361.8052 292277.4119 426258.0523 220968.2356 [(3S,3Ar,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-ethylsulfanyl-1,2-dihydropyridine-3-carboxylate 12969003.97 24950392.92 31832230.04 17582924.25 18735017.4 30018857.87 20079577.93 13019290.39 20989855.89 21405354.24 43482868.58 14699011.71 17857021.83 NAOrn 26:3/13:0 81190.65616 409102.2383 311382.5302 795677.7845 552143.7959 745346.2043 310323.7043 340035.2962 243367.5689 520865.2463 729360.9419 72404.76647 167976.0473 Aldophosphamide 11785122.58 6356705.127 9249377.075 34923435.28 36263781.57 18005976.95 19653025.31 22884098.09 20731563.19 21596033.77 17681687.74 16862496.14 13038561.42 α-Lactose 20078585.35 29938696.6 23385396.32 12815677.95 9494138.358 11327676.4 8047413.825 11013792.7 12237762.67 4765525.979 8152367.975 11461570.25 15974983.8 Phaseollidinhydrate 3851597.846 2680006.088 4412511.819 3839801.71 3688470.618 2761276.456 4144291.519 4693257.686 4699074.279 3997530.735 3439678.067 5388304.576 5606233.08 3-hydroxydodecanoyl carnitine 10095894.69 29543829.19 23041985.98 3737421.465 4737412.531 10589835.85 13855956.37 11984415.59 12169622.92 17876068.8 23727212.64 7421993.532 8243560.099 Tris(2-chloroethyl) phosphate 36586249.61 26300257.63 27733647.25 36539112.45 40172002.16 37412379.82 30897748.91 29593140.44 33123052.34 36929787.01 37745835.3 99291279.93 100954541 CDP-DG(18:1(9Z)-O(12,13)/i-19:0) 1315155.155 18570878.88 55152873.04 6761681.168 2507655.851 2943087.035 5228117.14 3676098.022 4741403.158 7920047.258 3781953.821 1279403.506 8419038.756 Estrone-3,4-quinone 32439161.75 33492552.87 36998601.85 56865812.6 49762540.01 17174964.9 13313072.13 27366265.27 27950701.86 19446575.09 14928715.42 11586125.24 10612327.34 VAS2870 1782490.722 6803826.417 10219104.52 3357551.086 3968980.913 10490369.62 5672036.79 3510245.762 4995326.056 4624058.282 10207854.37 2058624.993 4638671.452 2-(TRIMETHYLSILYL)OXYDODECANOIC ACID TRIMETHYLSILYL ESTER 1568381.036 3401091.242 3628277.964 6599304.273 5925095.739 4092958.011 3931738.943 5333799.646 4699196.689 3026143.304 3429941.03 2636699.418 1961108.442 anabasamine 155883427 381199764.6 406265817.2 185010093.9 164946637.9 307798776.3 338874261 271610606.9 259951948.2 224227261.8 220297091.4 206375707.5 220811507.2 mexazolam 212816.1662 464684.6029 354393.9849 362169.8156 209502.9902 404164.5924 135020.0514 195403.111 218094.4753 365873.5637 471960.6841 106197.8122 174276.2218 Clavamycin B 6006844.436 17166173.2 12490587.51 4275035.413 5589514.398 5265535.825 12701723.55 5079137.557 5848576.242 5723444.231 17070127.3 2129219.403 2904416.653 Tetraethylene glycol monododecyl ether 2557601.337 7653393.853 9280723.463 12187036.24 12131482.98 13871812.63 9684888.878 13450338.8 11481226.27 16847134.73 15348035.05 11108190.26 11709217.15 GMP 163153544.6 329486361.1 253235079.8 276478496.5 194237111.7 216993258.3 184352200.5 272297317.7 270606019.1 264157731.3 279266219.3 163851190 199126099 N-[(5S)-5-Amino-5-carboxypentanoyl]-L-cysteinyl-D-valine 770294.6928 2221542.74 1729806.682 414693.4367 644564.2918 464416.6295 1694399.272 1146935.053 676244.7566 1422184.804 2178958.992 169455.2171 132482.54 Hexachloronaphthalene 6816185.422 7750038.685 7469785.03 12127055.07 5107701.077 11983508.02 7941839.414 11372484.7 11462117.33 13989349.58 12649925.21 30418602.74 30331996.12 Attophos 12559033.35 16412032.5 19788231.93 12447131.78 5776585.013 9727487.013 6303940.797 15886723.69 16076895.66 13537070.86 17830993.37 2647903.884 6314585.482 D-(+)-Maltose 26470381.5 68464822.39 55499521.68 33392409.7 27103335.43 37049794.79 23063235.91 42298960.35 39901110.22 37365240.49 29552163.78 44013358.95 57869098.13 N-acetylmuramoyl-L-alanine 3404371.684 7230535.94 3020728.809 2063433.84 839402.0902 1008427.015 924676.0526 587868.5783 473814.0154 1135869.244 2093204.581 633885.3617 836170.1565 (2R,5R)-2-[6-(Cyclopentylamino)-8-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol 26772.99033 38373.37905 33195.77656 36804.27535 36005.52826 47432.08967 38121.50796 40340.73255 40543.27856 48986.33388 49147.37717 39098.69872 43559.08589 DGCC 16:0_16:0 948784.0172 2610814.562 2482605.826 4458292.618 3373699.236 3240854.465 1920827.898 2804333.86 2142775.656 2541186.424 3771220.114 691496.9784 1067253.768 S-(1,2-Dichlorovinyl)glutathione 96673701.95 127422973.4 116890347.7 154386995.9 100984943.1 89722056.89 73255490.71 95765676.22 85206362.73 65213091.1 94234037.32 52774664.79 54614571.82 N2-(Pyrene-1-yl)methyl-guanine 590601.9395 993940.9761 835372.1273 8594169.701 7848769.486 7115728.508 5589251.567 8101708.518 7348560.379 10453322.06 11629108.07 4655101.932 6031228.182 Timegadine 948418.7033 1402366.471 1610292.396 2913914.565 1778043.906 1206244.071 952393.4154 2210495.341 2108567.998 352120.2498 743324.4509 895588.6511 922702.2582 6-HYDROXY-3,4-DIHYDRO-2-(3-ISOPROPYLAMINO-2-HYDROXYPROPYLOXY)ETHYL-2H-1-BENZOPYRAN 1039690.831 6472822.391 7067102.676 1912848.556 1983549.991 2676012.754 3518381.725 5362564.201 4062461.326 7655714.392 6548080.217 3663848.61 3387075.931 PIP(18:2(9Z,12Z)/LTE4) 1172580.498 2934985.055 1248526.742 6087237.126 6095142.745 6589328.279 4379539.403 4593450.769 9076343.891 4314333.723 4119871.9 5448993.531 7072968.168 3-Chloroperoxybenzoic acid 3219080.038 843106.4426 4604965.015 3819269.104 4828816.799 1636660.752 5529659.761 6460219.871 6236404.958 6976810.993 5587200.175 11627837 11004962.72 6-Hydroxy-3-[(1Z)-3-(3-hydroxyphenyl)-3-oxo-1-propen-1-yl]-2-methoxyphenyl hydrogen sulfate 117464846 260824491.2 177853371.3 186727802.7 118688060 282364430 180651936.3 195598091.3 188412967.9 261198071 296940837.4 83279727.79 113146382.7 [Acetyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]oxy hydrogen sulfate 5896724.128 3943875.718 5969562.122 11460478.08 10330741.76 14692878.82 17116465.39 14491749.12 13250581.86 17458258.79 16559326.67 13725853.08 11739773.88 2-Hydroxyestrone sulfate 4673965.379 13831457.6 11112691.96 5501987.054 5249524.019 7578706.661 7143965.341 7718245.184 8304295.275 8006042.362 8856975.764 8484817.205 8311834.708 Lundurine A 70974.14659 92824.68636 75608.93374 74599.43801 59597.91739 65202.34525 815522.3332 148530.4368 97964.43741 100552.0947 175683.9269 446344.4766 347770.9829 2-(PHENYLETHYNYL)-2-(PARA-TOLYL)-HEXAMETHYLTRISILANE 784602.1795 1402366.471 1440638.308 2913914.565 1778043.906 1206244.071 952393.4154 2210495.341 2108567.998 1835044.2 1558972.802 895588.6511 922702.2582 MMV102872 235644.3276 1567710.891 1082503.02 1270504.828 564835.6091 413479.0428 583017.1128 478377.6984 1359035.434 765511.4883 866022.5237 305265.6132 828623.1842 Fradafiban 3848294.02 8117981.371 7029996.794 4117209.49 6007281.43 5811108.733 4515317.598 5530874.048 5927820.628 8050865.908 7665158.12 4666147.065 3924251.698 3, 5-Tetradecadiencarnitine 216883.685 1890536.21 487779.768 2075166.57 593093.0664 4563285.087 1449721.425 2602051.059 796843.3401 5798885.51 10736690.47 975360.4842 1122481.68 Tetradecadienoylcarnitine 10161486.92 64416352.27 58463049.91 13887724.47 12959417.38 41453321.59 30123255.82 62042065.47 42594750.81 79277184.55 79267877.02 43205196.99 36965011.55 N-Dodecane 2069465.595 1636044.724 2195085.089 2950182.731 2441341.962 2599389.431 2848835.273 2518512.184 3311904.898 2199351.717 2547376.829 2459311.249 2330464.964 CE(13D3) 885471.6564 3276654.292 3617572.753 7761766.276 6237562.138 3956454.422 9898094.589 7277993.029 5488170.778 7597434.283 4119871.9 5448993.531 7072968.168 3-O-Methylfluorescein 80856662.04 179895670.9 139703881.1 167714653.2 110267321.8 141391298 95558084.59 119292555.2 114901177.1 125501314.6 142860158.9 60628279.9 73642998.12 1-Hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrole-3-carboxamide 815404.0007 735520.8262 361504.0211 795990.4045 643089.6825 783464.7777 758349.4483 695402.7362 720547.6594 820385.2579 938268.761 688597.6136 722548.9006 2-Methyl-2-propanyl (2S)-2-[1-azido-4-(tetrahydro-2H-pyran-2-yloxy)butyl]-1-pyrrolidinecarboxylate 12608823.34 29517885.91 19384081.18 36214766.95 22094350.17 32041082.6 21086119.09 23779776.72 25090143.95 20396768.02 25237793.95 10098900.39 12599164.75 2,2,4-Trimethyldecane 1601664.333 1016155.472 1902708.411 2238748.672 2619057.019 1856190.306 2426651.544 1779194.964 2691578.913 2030210.558 1933447.013 2139283.353 2409870.099 cis-5-Tetradecenoylcarnitine 14154980.71 78330620.83 81238796.52 20375914.62 13680281.13 54106553.87 40730532.72 57863125.83 34372271.66 112944227.7 117501692 32356010.34 22356365.33 3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione 72779363.18 95986548.53 112281422.1 118153503.6 137469492.2 142215314.4 143521300.3 132268371.7 134000612.1 126304904.8 129375490.8 151397017 155133801.2 3(2'-Chlorophenyl)-7-hydroxy-4-phenylcoumarin 1084259.233 1026447.809 1254258.154 1345186.863 1368242.515 1398824.326 1460615.782 1339556.007 1344002.554 1360291.69 1353157.237 1541203.257 1375044.886 4-Fluorocinnamic acid 1078629.197 1701258.434 1518382.923 1567289.929 1514830.018 1710038.23 1778665.26 1678962.546 1651928.251 1895087.643 2045423.031 1790871.675 2023113.255 Octaethylene glycol 1291647.258 1111329.994 197910.3961 87853.555 550735.4725 101593.9211 296189.0922 101088.6412 78203.26353 387981.1007 112265.8496 204724.0987 81692.77231 Dodecylamine 1525228.272 1839169.882 1934977.981 2456620.308 2613305.615 2028412.097 1857483.502 2492635.375 2075735.04 2286361.059 2118439.638 2095417.26 2064820.708 TG(22:0/24:0/24:1(15Z)) 368277.635 598473.9177 508599.6483 561584.3603 450230.8242 548868.7859 399029.2034 502930.3404 510779.0613 568756.3097 585511.6082 403322.8481 471231.7252 Oleoyltaurine 842050.6761 791914.9324 1026806.226 114263.1745 111783.3707 147258.4662 118352.677 125242.5192 125871.3469 152083.799 299039.6757 178362.5834 135234.2733 Succinylcholine 576297.2712 2466114.946 1769281.024 115036.3471 105755.4979 123784.9171 102174.9298 114039.6564 107931.9045 140716.5473 431635.991 178362.5834 109141.8276 Myristoylcarnitine 3550806.02 39233152.42 46344828.77 8406640.543 5370025.652 15519813.73 11999374.99 25825503.14 12858535.49 50126692.48 52420677.84 16256770.34 7094263.699 Proquinazid 16877737.56 4323348.179 4033528.834 13346684.26 18650062.64 7117180.69 22160589.79 9088273.046 21194115.26 19233504.41 7000762.451 19398409.82 20710687.92 Indole-3-acetylglutamic acid 36320043.16 37453158.95 33618646.66 37709375.49 31273775.57 43533481.68 42125525.62 34771253.98 33296098.61 43310547.74 46420668.49 46645400.02 45562535.28 Sedoheptulose 7-phosphate 40179317.32 50978585.46 37837426.36 43922091.08 33292831.95 54473745.52 48867271.95 38823151.9 39338420.02 49314886.69 56978059.37 50083931.82 51838871.56 Diguanosine diphosphate 19785153.55 36782441.75 50810742.52 91751503.33 88142776.13 79826669.59 74871980.85 102139413.8 101989810.4 105552389.4 102214562 75516163.24 83485113.81 Hyloin_L1 614081.5045 1181978.887 1386371.874 1096217.191 253660.4428 1380534.277 1067030.785 1509506.379 1113500.834 624620.532 2418094.836 76582.39486 268518.7151 Enalapril 9342468.155 17399091.01 11681066.46 17292273.4 12211155.58 10715708.13 9423584.458 15537834.45 15954163.87 10708178.25 16045027.24 10988575.42 9076513.636 Cyclic GMP 4884419.891 5537378.63 2192284.228 1428597.677 1388237.941 1465555.1 1521393.194 1501729.585 1457109.819 1548638.618 1671629.029 1558503.901 1662941.554 3-ETHOXY-6-(1,5-DIHYDROXY-5-METHYL-4-PHENYLTHIOHEXYL)-2-CYCLOHEXEN-1-ONE 3002295.291 1656217.89 2960674.81 1182600.425 1588620.955 5643339.557 2634719.096 1624356.341 2282732.566 3681718.358 2630992.825 2492190.672 3092744.299 Trichlormethiazide 12004309.75 6706533.036 11830435.51 14623375.11 17945633.49 16941461.63 17090433.85 16996376.47 15972349.36 15923777.94 14424282.68 13563497.88 17516628.55 TG(i-24:0/i-24:0/22:0) 2508636.207 3003386.79 2376539.626 5976855.818 2041396.062 5686868.576 4629566.373 6093566.485 4938403.411 5078689.842 5856970.176 3932697.7 5349070.722 (R)-S-Lactoylglutathione 1563006.671 5404388.163 3442315.608 7345650.201 3357572.159 2929612.599 2733850.197 2908832.631 4395729.883 2704767.805 2895527.988 3573032.926 3553886.765 3-(Dichloromethylene)-2,5-pyrrolidinedione 1362890.579 811145.3385 1179758.943 1026749.025 1577981.353 1486046.466 1802907.1 2118039.786 4378400.896 1423011.762 1282888.012 3153391.645 3765380.063 N-Acetylaspartylglutamic acid 5837885.953 13771838.47 22778038 36236778.25 54568682.99 41698553.83 62664423.9 67194723.88 75133431.69 47800172.99 38387388.64 32732816.71 41024391.77 N-((2-(2-Fluoroethoxy)phenyl)methyl)-N-(4-phenoxy-3-pyridinyl)acetamide 275574.2161 1533835.319 353299.2159 313824.154 230986.0595 857851.5242 637881.572 1647583.112 263859.1312 1174482.97 1371874.977 211835.1372 196978.4573 Upadacitinib 361142.8194 452001.9869 419797.8056 446244.5222 384935.6935 448572.623 388356.1361 452897.3072 396527.0533 423612.6057 448641.5723 352270.0263 371836.996 [(2S,3S,5R)-3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2S,3S)-2-amino-3-methylpentanoate 1838346.017 2932416.452 3204520.855 4396559.163 2934868.536 2244750.861 1498090.494 1839281.374 3242717.905 3216942.268 2996658.43 1827543.899 1506208.237 F5231 1868913.845 2020605.248 3292349.026 16157946.76 28503592.67 11747480.94 13116272.4 32435962.07 39023723.15 13133883.29 12421238.05 46732224.97 53201897.27 N-(((2,7-Dimethyl-9H-fluoren-9-yl)methoxy)carbonyl)-L-leucine 243330.0498 674138.9556 478000.4189 1067241.915 434152.5651 521575.0358 478257.6608 304055.2962 675936.3666 587490.2526 1082639.832 327855.9334 432480.9558 Vanillic acid glucuronide 17098541.4 18088580.95 23533423.53 70573301.08 69792238.21 30693341.34 22672660.09 41249460.35 43374028.21 34116592.05 28770284.41 22094444.16 19325196.52 Enterodiol sulfate 31714307.93 74763989.74 64517749.49 38941925.52 20333376.07 43992660.43 30467212.94 48731455.56 45286741.21 47894674.36 40717402.9 47037625.45 61437541.06 Brinzolamide 1680286.785 1702162.617 2995218.4 15881489.43 27080215.08 21909815.96 34129372.36 31366019.69 38457577.8 43894058.44 45633437.52 46331424.15 52798647.69 3-Hydroxy-5, 8-tetradecadiencarnitine 7604295.595 38126039.12 24510735.05 7361960.783 4775894.32 16052797.43 16372174.62 19552292.48 13440963.9 37318580.1 47077204.96 10631296.91 12141907.09 D-Glucose 1,6-bisphosphate 2780062.862 5585859.973 4454457.447 3018244.865 1928046.423 2794516.001 1945007.434 2463932.162 3130953.327 1766439.488 1917056.838 1492376.177 1885421.259 Nitroquine 6189042.841 7558867.408 5425409.511 1513127.248 1626284.294 2505142.799 3381628.719 1549883.773 1722108.428 1550757.904 1518342.176 2683839.191 2050956.167 3-C-Carboxy-2-deoxy-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]pentaric acid 1210701.114 2552102.719 1791921.515 3057696.167 1755280.986 7388770.429 3074586.262 3246100.914 2961110.728 3969328.969 4669687.442 2131719.473 2338140.625 PG O-26:5_11:0 793832.6022 769466.611 20772884.75 31305545.1 3082065.143 42500593.67 29438924.2 14582843.36 22137412.56 27344244.79 19065631.12 16423262.49 22658769.6 Hydroxylansoprazole 8842528.372 4304414.917 5448612.86 3161329.975 5774017.743 3627357.632 5000244.452 11135586.42 14070820.73 4603589.836 2213760.56 24743852.5 17850065.38 3-Desmethylcolchicine 724601.7329 1218271.325 1083430.642 1434095.905 1472890.706 1498597.471 1197403.311 1323138.678 1296794.438 1849539.483 1885049.781 1057192.3 963537.0862 4-Isopropylphenserine 2183142.084 3150142.165 2081031.022 1021140.479 807671.4992 852393.0527 856824.797 852253.021 882088.2038 1145951.792 942738.9128 914738.7728 1000846.411 3-Hydroxy-cis-5-tetradecenoylcarnitine 8780337.575 40442745.74 31718506.32 4188855.494 2437509.859 16132783.07 11836675.11 16992708.29 12851594.13 31031698.84 38784380.3 7272006.194 8364884.722 Pentadecanoylcarnitine 424672.0542 326671.4674 284701.6965 229644.0129 162276.4216 121671.6651 165520.1266 132485.152 150260.5077 109421.8854 103022.6266 163134.3324 143856.8137 N-(1-Deoxy-1-fructosyl)tyrosine 250847.2736 421699.784 338349.4036 367649.0859 1187669.586 1938632.563 5583835.17 2009290.597 3214859.283 4147027.58 4905618.621 5257608.122 5179627.35 4-[4-(Quinolin-2-ylmethoxy)phenyl]sulfanylbenzoic Acid 1203193.756 1648991.903 1931772.303 3438177.174 3288230.815 1176382.309 234764.559 1776627.096 2200455.551 1371019.872 1138548.166 1406352.035 243903.6774 TEB_M388 215963.7082 363451.5307 305468.117 7564832.959 7122329.465 6699237.321 5016624.029 7545991.559 6868922.521 9528037.718 10868520.7 4219488.223 5574698.983 2-Hydroxymyristoylcarnitine 8988111.237 49485500.39 35074221.75 6874280.07 1382234.036 18679183.32 11240551.01 16222035.56 10006566.43 25935394.1 39556319.3 12204959.8 9253814.339 4-O-beta-D-Galactopyranosyl-D-xylose 110413800.1 201119253.4 141120960.9 8152062.031 5785307.164 7306361.152 7028924.895 6815252.351 6733349.345 6486476.269 6801351.795 2849173.827 3657370.745 Malvidin 15359059.72 55065819.79 35243483.42 83180347.9 54596287.71 16908347.32 15040421.53 86709783.11 95227057.2 31924382.69 43929458.32 16168665.68 31530136.31 beta-Apopolygamatin 1608001.23 2560352.321 2646244.997 8940164.229 5408264.879 1481660.264 1422974.501 2356252.51 2867351.58 1674999.205 1483374.011 2017978.259 751461.2448 6-HYDROXYFLAVANONE HYDROGENEPHTHALATE 1539587.656 2155757.39 2871252.614 6871646.823 6443172.738 2223740.221 2492286.006 3434164.291 4141353.454 3178114.66 2430927.987 2872975.177 1775204.641 Glycylprolylarginine 129399022.6 99778935.91 173279300.8 240239791.2 243416004.7 254080385.4 170435168 106113660.9 164495933.6 156165266.7 103895453.4 72016875.07 115935741.5 Cyclothiazide 5334723.185 9396172.133 6781246.509 388652.9558 342038.1649 525870.8602 455603.412 470036.5174 424811.9289 490212.9025 516593.4047 379175.2335 445202.6128 5-Fluorodeoxyuridine monophosphate 2488222.116 1103451.93 1147686.192 1652232.883 1331533.746 855546.2755 2318604.922 2685026.344 2016788.215 5968191.037 3323273.183 9413862.131 2609034.982 (2S)-2-Hydroxy-3-butenyl-glucosinolate 13438530.01 11665571.24 10124759.83 8954009.531 7571340.866 10750801.13 10015859.91 11397489.48 10973804.57 6281698.47 14932185.79 9413862.131 10538188.9 Cefprozil 22907097.4 30334018.51 30890050.78 23708124.09 25930713.53 34040657.47 37792593.32 38107581.7 40496409.63 42999308.76 40466520.73 26649213.42 32002844.58 (2Z,4Z,10Z)-N-Isobutyl-2,4,10-docosatrienamide 1791383.983 758644.0632 1439240.575 1367781.081 1014899.466 932696.9458 823360.5428 1184206.075 3039526.566 1019090.322 673072.1927 879568.2101 1737361.678 DG(24:0/0:0/22:1n9) 328036.7668 311950.4981 329455.8776 366680.7825 384252.7485 375194.3545 365190.5083 366280.2838 365786.3434 385821.2108 376868.8753 1680169.474 1422771.987 PRZ_M392a 104062.4534 229714.0425 2225533.53 3038782.095 281197.7112 1511418.522 877439.3441 3026010.866 1321319.53 4437269.027 5145673.559 3316281.601 3214742.949 Inosine 2'-phosphate 1459237.947 2723702.559 4692940.907 685910.9484 3281506.38 2860570.294 2697714.226 1770300.008 1969511.971 2513572.639 2504130.492 2775172.406 2459595.504 Auda 631430.5942 708635.4029 710626.6174 2200356.243 2532074.194 2462539.798 2685224.211 2271916.786 2843492.379 2079495.136 2345555.101 2902709.862 2719361.46 dichloroarcyriaflavin A 4823579.515 1825462.108 1537086.086 706231.3132 5410187.843 7658559.073 6789367.029 4596749.808 6544093.584 6074874.436 6183891.589 6107355.319 2862697.474 Arotinolol 9049436.677 8796172.488 10585104.33 10701966.93 11159268.19 6809224.926 8255113.48 9370000.664 7774508.296 7871359.625 7096932.741 4940881.893 3756516.151 2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide 1005070.716 8320469.097 9397319.371 2352556.928 1581326.102 6435883.986 4284342.331 6876878.209 3259447.195 12851225.13 14245876.02 6130432.521 2816780.165 Niazicin A 771907.0903 1526830.42 1398509.351 1575425.901 562667.7393 943978.3118 1611100.073 915485.7317 1466259.029 1143049.392 676078.8539 425853.0287 366751.0654 1,3,8-Trihydroxy-4-methyl-2,7-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one 779035.4639 2316120.416 2945935.31 7649673.426 1829760.53 1814863.757 3224508.552 5196270.171 3082597.138 2818044.854 4228253.971 4063314.434 3963548.635 Adenosine thiamine triphosphate 107617029.9 103199437.1 133481973 239485866.1 269845920.5 220384014.3 377445775.8 236922651 409214141.7 243799868.7 230867207.2 370065180.9 388296295.3 Velagliflozin 341477.6938 574125.7073 510580.3369 675835.7591 694118.2977 706232.9347 564291.3928 623545.7686 611130.7133 871618.7784 940725.7134 498215.188 454078.9887 9,12-Hexadecadienoylcarnitine 9815706.758 52426976.81 53626300.45 10750447.84 7939771.914 41333708.55 24781714.44 34581903.74 17539099.94 89327029.45 85882770.46 41929336.52 19691502.56 S-Lactoylglutathione 181170.2404 376265.2914 297930.1408 556391.3218 341507.7318 455344.3316 284450.1079 358925.017 411337.7499 588796.1597 552533.7549 187689.1394 315840.1066 Phenylalanyltyrosine 4170915.733 5154705.768 6529324.39 3758650.006 3628817.573 2781945.515 2942742.293 2311197.053 1535104.335 3337505.166 3916291.892 2025443.514 1840262.71 Dysidin 7866027.595 6118378.098 5928904.307 1780205.162 9918120.88 7674452.135 5566054.472 5395720.134 5339243.828 6209172.589 4421586.598 2974340.069 3232666.88 trans-Hexadec-2-enoyl carnitine 5603427.054 30166273.54 32172235.27 4857097.594 6461058.922 16860719.93 12061379.89 19766960.06 11284588.63 38342180.21 32859576.52 12879790.69 7580311.266 4-(5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl)-2-hydroxy-6-methoxyphenyl hydrogen sulfate 15838536.09 56360973.95 34184805.67 26443208.54 14560091.32 41493989.53 25951763.55 34987138.46 28717658.57 31652187.65 36171311.57 15229749.04 26218333.59 Tris(2-butoxyethyl) phosphate 45910.49994 38001.80868 28124.40521 28478.19148 28931.89949 27980.07006 27210.50251 26170.32034 28343.10894 28004.58272 27216.46679 28384.587 27526.46435 2-Phosphoglyceric acid 207051.8108 297990.9667 260234.2281 260172.2393 262299.2326 327746.7192 244686.6605 269920.6919 236250.1415 3541299.971 305425.4868 192624.8717 261374.3871 Deferitazole 1801633.742 3454393.71 2506658.397 2027083.68 1441988.704 2644988.779 2087741.433 2274898.32 2172491.786 3052360.3 3237036.325 1741320.185 1901211.585 Ochrephilone 309174.8422 313625.4551 2717374.553 418333.2839 545341.9603 589721.3564 460274.7996 421079.7709 484086.3138 445041.3345 335718.8589 472886.6132 404602.0076 [FA]O-Palmitoyl-R-carnitine 1208179.023 23437072.97 33965235.91 5218380.525 2606671.374 3710854.018 2385731.385 16606035.43 3113032.819 18826001.95 24960132.81 13563932.01 1583161.07 Palmitoylcarnitine 1168667.324 20263690.41 26881082.64 3138172.87 1477012.591 1152393.914 844094.3832 9514976.996 1370185.132 8887141.124 12039773.05 7465213.399 743996.4517 SM(d18:1/20:0) 4976913.798 9936566.521 6908328.136 8225467.653 14478441.19 13089587.47 9605530.906 11200169.79 13621566.44 14523461.66 14024916.86 17153331.41 17356703.95 NCGC00381414-01_C18H21ClO8_1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 13-chloro-3,4,5,8,9,10-hexahydro-5,8,9,14,16-pentahydroxy-3-methyl-, (6E)- 42095839.33 63602826.38 54180492.68 53061011.37 39913657.42 83186148.67 80455811.65 76608095.54 85045435.29 74624539.08 85170294.89 61840815.96 71191620.63 Harzianum A 7216290.697 9659328.601 12740416.79 23675845.64 23309564.92 16116257.39 13116891.12 18685300.16 16948493.19 18068730.88 15793711.72 15660566.58 14845104.52 CDP-DG(PGJ2/a-25:0) 166903.139 511043.1262 457712.0785 220851.8312 201979.0191 217941.8923 200250.2271 217107.8771 205521.6767 909100.4485 257911.1099 975788.365 3563674.052 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate 15084149.07 7666957.216 5545038.286 8520851.199 9284632.373 9825890.5 9451898.19 8842404.337 9453661.792 6312625.68 8336242.187 9192252.017 10821235.14 Schiff base 7980563.14 9616909.571 12781412.14 18477384.1 19043398.12 16473866.7 12905877.81 22997739.86 14803814.5 27130664.12 22695505.7 14717913.09 16805299.83 (5-benzoyloxy-3-chloro-4,6-dihydroxycyclohexen-1-yl)methyl benzoate 10859700.06 33138711.94 21350943.88 49748844.38 31525314.88 74879112.41 47964280.79 53658572.43 50064921.48 71240620.95 81597171.37 20922733.8 29304734.22 Ganglioside GM3 (d18:1/20:0) 4382290.666 6043839.476 6706366.188 15412373.21 11366645.11 6975011.5 6912796.317 8844139.269 8797927.227 8692628.764 8953519.333 4415116.243 5433643.439 10-[3-(4-Methyl-1(4H)-pyrazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine 52529864.95 144639882.3 79228095.54 33614898.94 19006025.75 28534981 41383793.87 30647160.26 31821032.88 129778901.2 150887492.1 8910543.141 11063937.39 UDP 2034701.05 6669384.03 5895064.18 10119235.68 6919667.966 8097922.784 4649458.599 12603600.26 8566512.702 5458860.421 7506413.755 4090379.56 3833057.552 Bentiromide 8319202.794 10600965.6 7096473.983 5198900.525 2908820.942 4523126.982 6361386.243 4472884.703 4727337.357 20269845.14 22750918.11 1289551.022 1724056.414 p38 MAP Kinase Inhibitor 2015550.977 2044057.562 2112885.141 9213867.04 3911847.183 5046393.636 4094346.265 10499686.75 8446640.014 1593880.107 4024148.896 3196371.895 4795604.465 Guanosine monophosphate 690384.6433 4926297.409 5050375.243 1005936.988 1036839.511 1508360.8 1045849.032 1455973.429 1387487.561 5375907.739 2036602.542 662304.0458 938669.7094 Guanosine 3'-monophosphate 5093316.821 3865442.72 2636974.178 2398086.8 1704011.176 1415810.411 3719001.378 1719173.078 2555564.803 3703873.74 2412710.828 1492365.5 1574871.05 flazasulfuron 7966819.56 13558433.32 7876305.305 12575034.73 9217059.29 13635916.74 10968630.46 11337551.21 12164694.25 13067546.84 13671688.52 11442574.32 11810393.83 2-(4-BROMOPHENYL)-2-OXOETHYL 12-OXODODEC-9(Z)-ENOATE 294245.9476 451576.4248 416279.5525 432298.448 336708.4066 393560.2456 315550.1342 406643.0799 374702.1856 471957.8833 495471.0519 356508.716 401716.1694 (3Z)-3-({6-[2-(Dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}methylene)-6,7-dimethoxy-1-isoindolinone 830217.5261 2556074.57 2678851.163 2683395.738 1427161.365 1731850.434 2036041.703 1252387.569 1221843.785 1940030.038 2975363.556 1865031.935 1796235.813 CDP 5418851.081 3801195.626 4668584.576 8061378.633 9682865.069 9257932.236 27056274.29 10805988.57 8226008.175 9794161.527 30372713.43 20619157.62 23939322.81 Eszopiclone 347277062 691000560.7 525042863.6 429600268.7 306789802.7 582395043.7 439607376.6 463019739.3 426474019.8 548211988.2 585527625.2 286690434.3 365105601.3 aloenin 93330.32565 228172.5709 206403.849 652130.8732 988808.4783 266789.0762 202547.6254 1043825.508 314322.5859 173934.6304 147241.8379 585258.7862 189711.8388 Brucine N-oxide 807372.0039 1357432.802 1207189.451 1597910.731 1641137.009 1669780.223 1334181.063 1474279.011 1444925.504 2197734.726 2102779.914 1177953.94 1073600.618 PS(18:1(12Z)-2OH(9,10)/18:0) 30276.80579 32927.34133 35627.08612 5193192.318 8080281.235 4623708.456 4878537.526 4848760.016 5949920.802 4582661.977 1224960.705 2776016.594 1922558.438 Dihydroneopterin phosphate 2383727.354 2540128.481 2747132.929 2997724.117 2862321.265 3172168.968 3299119.712 3514401.344 3567125.857 3167695.51 1858564.577 3211163.854 3198887.392 Carboxycelecoxib 884806.774 1930191.414 1075673.203 10532948.84 11970309.64 5722238.546 11201615.91 9643193.88 9311061.728 9619911.825 10267267.58 8024531.208 6868644.807 3-Hydroxyhexadecadienoylcarnitine 1639140.473 3323303.502 2929749.243 376217.3976 420360.679 778652.0579 1054113.228 1559339.156 1671582.287 1695684.06 1173275.86 1271951.313 1798282.509 3',5'-Diiodo-L-thyronine-beta-D-glucuronoside 1036676.817 715921.3338 740504.5358 677648.2083 703224.8952 693250.0267 714908.3086 699799.4429 660247.963 711282.9036 671553.9932 744388.926 724746.7362 Zileuton O-glucuronide 1085858.564 2009732.742 1959960.307 5313733.616 3784949.458 4454107.09 2759303.812 4485800.568 3153201.251 5560602.615 5360213.452 2462009.014 1956298.649 N6-Threonylcarbamoyladenosine 1064830.08 819303.1133 693233.9568 607693.1925 858312.1275 1340478.931 520192.5146 687816.9549 212478.5782 338311.9969 508910.1944 1081820.01 1061288.065 21-Deoxycortisone 11396833.02 15370463.78 20995087.29 25730581.04 24364999.32 27206632.15 22140686.31 35253915.11 20927719.1 39931129.19 34620985.43 24931443.3 24931166.16 1-[2-Amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea 3680203.901 7026764.482 9839830.907 13074300.51 16638821.99 10986380.6 8062759.109 22116158.12 7879058.507 17467780.96 14938324.55 13862660.27 8847243.185 3-Hydroxy-9-hexadecenoylcarnitine 1632900.075 17977346.22 11070739.37 2343328.22 1023793.424 5204432.683 5343774.123 8046575.775 6446880.413 15710038.94 18986831.19 2298007.57 2871658.992 D-myo-inositol (1,3,4)-trisphosphate 938659.1204 889222.9891 936453.4236 1049236.841 1099518.053 1073597.957 1057965.507 1051557.469 3119020.111 1089170.263 1068066.278 3193566.938 3717863.242 1,2-DIETHYNYL-1,1,2,2-TETRAPHENYLDISILANE 739455.106 842685.3208 727004.8657 867714.4215 467921.9556 1211146.343 1976668.67 1360990.806 1171495.158 2001125.205 2519665.397 994763.2527 1477514.47 Dideoxycytidine 5'-Triphosphate 908260881.9 841763429.3 874545796.3 880761201.6 921920591.5 921439966.7 991989376.5 965332475.3 1007391614 1003758463 945726272.1 1042815099 1058691488 N-Benzoyl-D-arginine-4-nitroanilide 18888172.98 26530572.99 19355993.15 25706100.52 16535681.94 15615295.28 10556414.47 36996178.67 18215946.22 26974659.35 40876335.44 13252676.24 14139610.52 Smenospongin C 1709101.215 3210823.285 3607516.478 7097859.863 6888142.16 4868204.325 2979129.209 8360884.956 3679261.968 6801604.211 6524279.092 5126921.422 3607065.74 beraprost 2581529.031 4633565.073 5474296.391 9824880.32 9416420.097 7149329.818 4360132.111 11422364.38 5665865.094 9788141.291 9080341.438 7095878.41 5740627.952 N-Eicosapentaenoyl Methionine 723170.7495 2433107.607 1100198.392 5997688.667 3182923.889 4276356.163 1781897.891 2545060.022 2463921.182 2922123.09 5423913.889 1183712.334 1614390.796 3-Hydroxyhexadecanoylcarnitine 487010.9776 10689464.73 2604343.155 4319120.216 891402.4651 3353043.023 1501647.244 11796364.82 2168786.61 9691043.048 13248910.69 1014984.393 903862.7452 Flucofuron 72565955.13 27905221.25 29718718.94 67343348.08 73581332.43 45738739.19 80614168.59 75991617.15 76926216.64 78511550.53 26001204.87 80889323.69 84378758.53 Kynurenic acid 715222.9752 842106.0606 827361.4105 887341.81 925917.6481 922723.3357 963483.5778 883627.4604 886560.5901 931246.7457 892599.4041 1024947.641 1057989.044 Cloricromen 10733096 26921909.6 18861109.6 60251548.81 15129991.88 21086295.82 54804606.36 19453106.82 16987448.03 19869654.25 56181199.7 7590507.825 46367602.18 Temafloxacin 30613649.98 79119815.15 58630564.78 70006152.99 25562150.09 63380919.88 79612259.9 51232257.64 45997758.17 55071210.1 66999057.18 22176552.38 28200826.48 Decoquinate 633051.4654 1415616.036 987236.9557 990858.5997 387285.7814 1753570.435 1076177.02 1643174.647 654946.145 1939670.463 2477932.312 72583.16433 260804.375 Coenzyme Q9 23528667.08 25614794.27 23960515.87 33143152.21 15206464.04 37172037.18 35855142.1 31938093.4 31026042.31 36688485.34 50164538.36 81745564.87 84223980.02 LPI 5:0 3318787.521 10353948.87 6395433.264 16822388.65 10442463.11 24658253.04 15970065.78 17807892.13 17436891.89 24184145.91 27726237.27 6475722.374 10065828.37 Cyclomorusin 53507375.28 62409506.05 54983422.63 54122982.2 48666357.23 46668455.08 51107980.2 55206410.98 57395605.59 49216820.76 49615806.88 42110735.77 45265627.05 Cligosiban 760328.8764 798387.3026 473392.9635 646580.8216 926045.979 1195799.014 1316436.853 754312.3996 829385.6793 1082573.637 1189709.559 680508.7745 711869.3013 Hydroxysphingomyeline C22:2 23528667.08 17770305.12 23960515.87 38663010.54 12848439.79 37172037.18 35855142.1 31938093.4 31026042.31 36688485.34 40560086.4 81745564.87 65857128.21 Vismodegib 12401821.43 36314033.22 23996478.29 19411477.45 9850614.24 28166885.91 18206738.87 19756304.9 20786801.72 21768129.26 20747202.79 12556291.37 18610466.39 Dityrosine 6163818.513 13972132.39 9004546.523 1628637.53 8766268.402 7563931.947 7600093.036 10551954.03 9364428.601 11801612.16 7526090.349 7538919.243 7831569.06 7-Methylguanosine 5'-diphosphate 5017286.577 4878916.734 6119571.42 16207227.95 16926708.65 15288856.65 12493415.54 12658474.7 12757041.94 13574879.03 5701579.368 9566876.648 11297644.17 3,4-Dimethoxy-N-(4-(3-nitrophenyl)thiazol-2-yl)benzenesulfonamide 4539375.601 6706269.625 6127916.318 12169414.21 7168951.972 14107737.85 4434537.963 3738703.178 6932520.396 12777477.35 14583617.28 1624603.048 9272314.529 Gamma-linolenyl carnitine 901382.7791 3161839.234 3923283.76 1214900.759 810578.2591 2224930.915 1152592.822 1785503.782 1547954.804 5120162.707 3983129.651 2300415.168 1100461.389 1,1-Dibromo-3-iodo-2-propanone 11087648.43 10997348.36 10920212.78 18966048.05 12806151.43 14182147.14 15970038.69 17518575.83 13620737.32 17231362.82 17401189.31 40623558.86 39285569.59 Glucoiberin 3235581.6 4397714.094 10528718.67 39420467.38 40915865.68 31314459.43 24028501.97 38933025.25 30355635.61 34133850.93 23480296.07 26076091.54 26389238.59 Succinic acid, sulfo-, 1,4-dioctyl ester 9338297.113 5993740.107 1666694.408 5279671.585 3807768.081 8342072.55 6830923.853 2713813.955 6391187.484 4113273.412 9392102.865 5337137.646 6223831.827 Gluconasturtiin 467969.4401 786704.2322 631209.4953 685869.6704 649873.5102 693227.2626 613147.9544 713623.0954 701763.4151 755596.2678 724528.5855 643214.5652 737387.4697 S-(1,2-Dicarboxyethyl)glutathione 533618.8249 1654473.261 1304735.84 2939268.86 977733.0269 898035.5806 701506.6357 841212.5794 1282589.499 1132543.085 1366165.685 331252.6118 898630.0206 Urapidil hydrochloride 294430.9216 555372.4238 290088.8591 653760.2111 671445.5676 683164.4911 545859.338 603178.2246 591168.6956 938651.112 909997.7808 481941.4511 419644.9531 Linoleyl carnitine 2963811.484 25989239.18 34343201.49 6169610.364 4059696.643 23137036.87 11869133.92 22584570.25 10546965.36 47111592.9 40308184.5 21689316.15 7463008.365 Nervonoylacetone 1376158.284 5355192.107 5259683.432 19252213.79 17332220.71 19837973.44 14960814.85 13982029.18 12542757.88 14652011.91 15151621.23 6919876.634 8331824.986 MMV024195 19152.55219 18903.9943 20700.01361 18448.14754 19716.87517 17386.9932 19402.73066 18120.20384 17591.57259 17217.01096 17283.22732 18571.41628 18685.69222 N-Octanoylsphingosine 405596.0185 561725.3386 201002.6472 282357.7967 630605.7363 453377.9631 386318.4059 2334314.291 263100.7143 240905.6423 306690.7657 963113.8051 888643.8852 PE 13:0 10590755.52 27102952.61 23830760.27 59605639.25 52530735.66 61995811.67 63069115.38 53587699.68 59626635.72 65059787.56 62364763.49 49045910.12 51257140.48 2-Hydroxyhexadecanoylcarnitine 753616.2835 17477974.12 20440946.57 3824101.379 1738702.52 10177909.29 3443506.594 16013195.67 3722172.669 25692670.38 29368972.11 8744274.75 2482212.656 PE(18:3(9,11,15)-OH(13)/DiMe(13,5)) 1214631.469 3212436.108 1762126.258 8762185.501 3591190.64 9836388.097 4998365.015 5571744.062 5148461.77 4103740.996 7859720.205 4775368.662 5967789.931 Hydroxy-2-naphthalenylmethylphosphonic acid tris-acetoxymethyl ester 909684.6418 453084.1145 1034526.352 1817842.598 2333507.537 2042775.485 1508257.05 1928926.396 1072703.33 1987817.844 2348915.342 604963.7748 1301949.423 S-glutathionyl-L-cysteine 11279276.15 18801829.54 11779462.84 4781856.452 2781780.899 4881088.406 3276317.663 5235353.244 5429020.694 5442810.572 6415745.161 2546765.868 2659838.717 Adenosine phosphosulfate 1002314.408 626453.6142 1244089.953 1787707.117 1933374.67 1476561.342 1952095.718 1666317.456 2188634.921 1658033.915 1119651.166 2099234.61 2610631.121 Adenosine diphosphate (ADP) 64700255.61 104431275.6 92207176.63 124609021 95193621.92 137941979.7 105374867.1 124129356.4 120367141.9 116093813.7 128029359.3 90059510.17 92531626.12 PC 72:7 495251.5091 3708538.326 6946800.193 1311942.04 883634.0322 1187402.736 973401.4703 2977200.604 498781.4467 3453374.053 6387386.164 3100629.117 880231.7931 C18-Carnitine 599776.4565 5837867.709 6992794.401 1532010.784 639766.4067 629864.294 119979.8501 2382291.168 324290.9076 3728958.56 5628860.003 1530942.084 123785.1961 Heptafluorobutyric acid 7308024.144 12672807.35 11425892.5 12457480.81 7684731.616 9276631.443 8022771.22 12810471.79 12259305.32 12389352.52 16637601.12 5855759.166 6760806.637 [8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate 3356535.137 5301894.11 8022444.615 8144974.94 9720447.132 10741018.91 8520999.332 10369695.83 8877968.999 11850252.61 8650109.68 10019444.46 9943225.209 L-Acetylcarnitine 7369216.169 11351133.54 8832318.182 8663264.002 6031510.319 11510396.39 10441204.92 10423135.17 11491839.5 14541356.76 14121264.08 11423230.65 12836207.75 N-Myristoyl Histidine 1697326.081 1992764.387 5023422.776 4846118.853 7063956.372 4077836.481 9054132.408 2477273.5 3111254.151 2238406.308 5549858.142 4314944.415 13675859.42 Carneamide B 373770.0492 182262.4985 489107.6523 174880.3436 488306.2625 412947.2604 303992.5011 195422.8707 199997.258 366410.2217 256989.4399 541306.951 190033.7708 2',3'-Dideoxythymidine triphosphate 117048995 140835034.9 136576217.6 179737346.7 151837677.2 115440832.7 95885055.15 122124210.8 113941926.6 103820118 118446900.6 66434085.06 73424384.62 4α-Hydroxymethyl-4β-methyl-5α-cholesta-8-en-3β-ol 1706685.245 5270121.399 7965653.454 53883727.18 46551070.88 34673082.09 36470914.44 35850004.3 50207031.56 41116386.38 38727102.73 30564685.41 47200522.6 Bis(4-ethylbenzylidene)sorbitol 16563789.16 21905373.68 45448652.99 558415839.7 132104744.7 38147345.9 27581503.77 113508460 43398314.14 71159690.29 91494032.5 40934639.18 15444550.45 Tropolone A 20820253.15 36719749.88 88567137.17 82896760.21 94527253.86 107314532.9 61762636.2 103006518.8 84610090.56 94585060.79 72318783.09 98854672.79 98799337.73 Eplerenone 19273083.91 25946436.05 51488668.39 629191268.1 157607657.5 42421670.91 27734372.73 103522095.6 45925976.84 76458059.54 99096556.72 44091988.66 15062096.84 TG(16:0_35:1) 1674444.873 1269536.424 1364806.404 1730455.933 1699127.303 2511430.273 1584909.966 2249864.315 1407354.091 1543477.436 1202684.501 1069750.82 1339814.082 5-Chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine 190457.181 550657.9989 381920.6425 794712.5282 454181.8882 685643.9565 532084.916 958386.9151 929411.4319 427647.1826 203031.9247 1020118.925 700417.0844 Iresinin I 704176.5518 1163631.967 1284478.702 933175.8885 861992.6557 1461135.634 756709.3148 905150.8531 1196643.065 1498430.663 1178085.867 1342753.971 941559.2449 Exatecan 585961.4392 2535263.532 1491214.568 753020.1 1179592.168 1757374.791 3395252.259 2781249.416 1558398.486 2330533.225 2684570.522 258920.0945 492283.9154 PE O-28:1_18:0 243706.2096 424927.4165 303104.9991 98149.72203 87966.85459 236969.6922 84770.79371 99533.59693 93272.28095 158177.2087 611497.4265 76338.31959 78322.44767 Ponceau MX 291394053.5 287347505.6 291492326.6 298779740.8 288331990.8 286810497.9 240619986.3 257802454 230842652.5 323187555.3 354732601.7 214283813 228161712.8 6,8-Dimethoxy-7-oxo-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-1-yl hydrogen sulfate 4965492.08 15216138.49 9534406.099 1875836.218 972996.5703 995432.3945 1032211.227 1026703.638 1005634.6 1081342.77 1104046.054 1010529.623 1131591.065 (1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-11-(cyclohexylcarbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 4227264.273 8990010.172 17456306.74 6943814.651 3434470.922 4777429.741 3920432.335 3452334.159 3464029.702 5105456.772 5475740.498 3689556.423 3591820.91 Ganglioside GM3 (d18:0/24:0) 32049988.32 31106697.78 32107841.68 12643881.51 30962835.75 17343574.4 27163323.64 30598167.62 25524305.16 36666322.01 8440288.06 23021942.22 23634961.45 Disaccharide(Hex-Pen) + C4H5N3O2 246707.1129 960394.2265 776284.5892 782955.1402 1196970.923 578995.6176 1837442.701 1915082.69 1010689.064 1893180.282 2770243.46 155430.2489 359476.6067 MMV020512 116152173.1 176099301 152626177.5 121648223.2 105501817.7 168093171.2 143020000.9 133255099 128611440.3 159392563.1 157915096.3 107276690.6 123836662.5 22-hydroxydocosanoate 1131813.61 5301134.293 6091277.07 10162670.11 10236966.18 10696315.03 9090035.729 11715802.73 9005740.557 14922244.4 12569926.87 10252210.84 10532148.82 3-Iodothyroacetic acid 951807.8007 870603.599 919458.294 1023347.008 1072387.535 1047107.017 1055753.912 1022229.281 1020850.773 1076764.861 1051780.335 7804951.129 7433118.229 riboflavin cyclic 4',5'-phosphate 415275.5028 738249.6121 600613.8555 594128.9831 484526.9748 610973.6464 524470.1502 606658.1456 636913.843 629044.7445 698924.5859 562366.4952 624843.2639 Pentadecanol 745656.7009 489058.2067 349204.3298 1356418.083 1116283.618 977877.0197 3020649.023 976795.2799 1042941.917 733169.2121 1145126.688 1305169.648 1411705.593 NAGly 13:1/10:0 1244998.823 3895771.7 3607056.674 486132.8054 402026.1116 601037.0488 574639.6805 717972.5071 1009761.02 1781780.96 1589965.316 1487903.329 1068540.631 7-Methylguanosine 5'-phosphate 35452385.69 34692673.85 51294935.13 43885828.81 43283247.6 22008836.18 26461053.75 33182549.01 27365549.93 37118678.17 54266092.03 20782188.61 23517893.66 3-Hydroxy-11Z-octadecenoylcarnitine 268867.603 1101450.931 1568393.071 462034.6365 410745.4834 542881.608 414154.0799 397172.1999 416906.8138 464907.1096 519877.9275 270638.2261 312683.8293 Bilirubin glucuronide 6518253.822 15043956.24 11939360.99 12204625.32 11485350.35 15839326.67 9449105.924 15179779.34 12092995.85 14370894.25 16298487.69 5856014.275 7771103.816 Uridine 5'-diphosphate 1335165.858 2656875.783 40815223.49 3426416.18 3260701.537 3071075.731 2814226.71 4384678.321 4627457.406 4317433.165 1163049.047 1325296.535 5632152.738 NCGC00380154-01! [IIN-based: Match] 548634.0809 922417.2926 820322.3197 1085829.433 1115203.017 1134666.961 906617.0216 1955831.658 1700411.906 1690725.601 1828828.197 905045.6874 1055305.6 Perfluoro-3,5,7,9,11-pentaoxadodecanoic acid 716939.5677 623432.4502 609232.9129 657086.7375 628088.4713 601787.6253 629358.3975 635441.1401 637698.2218 614988.808 605463.7556 670661.4034 633250.4361 Perfluorooctyl phosphate 410702.5948 1256820.641 1205874.01 10042676.72 9362344.885 19217147.15 21639535.25 11777292.2 14480670.55 19920719.84 23301684.74 20131851.94 22514165.28 [(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] octadec-9-enoate 799217.8032 1169763.652 1298283.652 726925.5244 964148.9679 756042.3486 1492377.151 1405667.445 592283.8938 789889.4483 1572028.104 448222.2204 1096915.488 NAGlySer 26:2/23:0 120629.4217 140101.3135 225320.4013 2637930.366 2304549.805 2585404.281 1798554.664 2061795.772 1773689.773 1979197.97 2810848.389 1843434.789 1216889.308 phosphinomethylmalate 289277.3307 586292.5998 1360989.538 12831524.97 8401988.408 11984548.23 7942110.943 18503089.36 19588740.11 25524545.29 28913012.59 16451907.72 18229674.97 Guanosine tetraphosphate adenosine 15778369.46 7751633.212 9574466.218 14947995.18 19134957.19 14367168.79 16819718.74 19823247.95 16523296.18 14770086.51 16841561.1 20515511.86 18836073.3 (2S,3S,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-2-(2,2-dimethylmorpholino)-3-hydroxy-10,13-dimethylhexadecahydro-11H-cyclopenta[a]phenanthren-11-one 472986.842 864090.5569 1288636.258 630358.5016 843909.1304 1013841.608 929640.9581 591025.048 476358.0867 1684140.83 1327101.382 637288.9115 329980.3759 Sodiumpyrophosphatedecahydrate 12426270 25845728.51 15688511.69 13541431.7 4160800.875 6491984.991 4321346.18 10429422.28 12067749.09 9229473.74 15270868.53 911506.8408 1196196.244 CDP-ethanolamine 18586528.02 38774707.58 32545895.52 40608690.21 32438364.19 24184719.35 20722569.23 37803653.28 38887260.84 32072395.64 38218696.95 23680292.49 28936339.9 Pentanoyl-CoA 2370588.259 3092001.695 3214900.212 3940535.742 3779235.359 4596448.722 4498593.101 4786701.603 4813669.424 5118108.874 4485914.411 8446649.386 10812674.53 Estroneglucuronide 2976872.093 5121596.216 3685354.388 12536623.64 9477588.583 11216789.32 6283856.425 10449986.29 7393624.56 8748446.076 12691324.6 5477052.969 5773226.107 Salicyluric beta-D-glucuronide 115093100.7 138279450.3 134891461.5 169170490 140113756.6 102996994.3 83696408 110072057.1 98444480.49 90554330.78 106393131.4 56510154.79 62013714.2 Amuvatinib 20851093.28 35326717.74 45842261.56 23540384.17 20247476.85 30180309.21 28560114.61 24384709.97 20875092.45 25650195.44 27008288.12 13150196.53 15213225.24 Roxifiban 60466.58342 75566.28009 63637.48461 516192.3822 474268.714 640954.2671 607869.6961 791284.2264 626115.23 519073.9932 484775.4786 508876.8286 518535.6503 HexCer 14:1;2O/2:0 129479.5963 267546.7344 260149.6426 319524.7978 251826.4539 445252.5842 237082.1774 272444.0332 226177.7572 430918.7612 427557.9083 151390.7197 178058.7971 Esculeogenin A 116034.7404 816569.6498 1012888.654 136374.9088 106964.3376 255627.9238 131934.5945 384290.6488 164658.7984 769393.6297 476793.2491 566036.5584 213350.3478 MG(18:1(12Z)-2OH(9,10)/0:0/0:0) 293885.2692 704827.0074 704988.1088 1517095.207 604099.9148 1157651.156 1271774.606 958281.9473 955939.3755 788612.5406 990668.5327 640893.2879 773730.9177 MGDG O-28:1_17:0 112215.5361 595801.8684 509008.8178 1494212.355 1089293.83 846689.854 332740.6558 541521.9594 516527.7918 194771.8087 559487.1028 124899.4984 153471.7663 Capravirine 35521984.52 68679098.97 52689248.14 69288617.03 49952777.15 63737483.53 42971707.61 54065917.46 46473525.61 51885877.2 60412447.7 26134644.2 32446909.18 Suvorexant 583202.7011 1783727.461 1316988.22 1677472.848 2418898.19 2279251.068 5422019.127 2520715.514 2203702.446 4684039.22 7206938.308 795456.6653 811508.3988 Orotidylic acid 5226141.784 7433662.657 12695486.24 10851971.29 7253290.789 11791234.29 8038550.08 5041275.806 5284064.497 6548305.36 11003157.84 4038201.658 5686404.776 Flucythrinate 5166827.815 13934414.09 18166056.13 12573932.79 6578856.854 47416194.89 11991799.5 26495138.19 14818583.39 23900192.45 8776463.409 10177819.28 2238972.224 Cer-NP t27:3 586996.8805 1778594.877 1421521.181 782301.8342 1047327.289 1258220.755 1153724.15 733487.3377 591180.7393 2893085.138 4412786.485 790902.769 409519.7458 Spermic acid 1 141940.3163 1717717.353 1952792.307 1908375.703 1742482.137 2940440.09 2182695.74 3087729.557 2644128.879 4174822.362 3566589.09 2494158.163 3154975.006 2a,7-Dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate 1696569.901 1926789.203 1179288.737 4457117.325 2499985.391 1700377.395 1612150.593 2363360.208 824501.3091 1398837.759 1116706.352 1550679.945 750865.171 4-oxopentanoyl-CoA 662390.2928 798235.3818 778621.8216 2396042.164 2452225.011 2477687.956 2544264.067 2095764.072 2113936.875 9046407.662 1591081.882 2024480.118 1892275.652 Cer-NP t27:2 569029.3311 680352.4558 1117807.927 758356.1415 1015269.359 1219707.529 1118409.49 711035.8214 573085.125 1373850.808 992131.7001 766693.808 396984.643 3-Hydroxyvaleryl-CoA 18108101.27 20972929.18 17163971.82 18988033.36 15270004.96 25743142.27 22600402.97 19886519.9 19610032.72 25543988.89 25358237.16 24904131.61 24111379.5 Zatebradine 313371.1672 398992.5005 370565.1325 393910.2546 339791.5482 395965.3225 342810.8511 399782.8203 350023.5067 373932.5439 388632.9424 310956.8159 328229.028 Adenylylselenate 330134.3074 586891.1667 493261.2039 1534972.406 1295770.765 812206.1243 1275240.764 1467961.549 1858375.883 1898930.261 1387370.936 1912396.042 2095577.587 2-ACETYL-2-DECARBAMOYLOXYTETRACYCLINE 134184006.5 304081049.3 210782657.2 177599655.3 121768231.2 269639898 184232759.3 194361573.9 164896040.7 237031705.6 258385217.4 106389737.8 148135071.1 ST 24:4;O4;G 3153498.198 4416193.145 9440946.317 14458842.4 3559233.116 1792893.581 1054554.511 2868161.559 975740.4007 1598257.589 4282717.033 738234.1494 897008.0987 Glutaryl-CoA 255265.0105 296049.0086 301853.9111 304426.4433 276786.4507 298164.1454 278964.8856 295273.5149 285121.171 4412924.119 315433.1239 3999555.301 12205772.72 N-Desmethyl sildenafil (UK-103,320) 8550844.164 3406737.021 5449775.707 3686630.577 3075182.554 7210263.633 6103850.176 1984796.898 5694549.023 3384153.126 8701389.018 4601688.531 5532052.245 Nb-Arachidoyltryptamine 1150345.938 808030.4737 769552.2557 1401209.524 1737182.473 1909900.861 1354294.173 1256356.105 1653747.909 1440182.392 1820714.757 3076967.866 2278877.74 Phosphatidylserine 115318471.4 152862430.3 144599627 122692936.5 178124295.3 108706355.3 139607935.3 85615030.09 172861992.3 67872645.8 71234539.26 119915983 51045995.55 Azlocillin 6076874.759 5853197.098 4717916.625 7867724.629 8458205.893 50420099.44 7291150.481 11843603.35 5366698.171 87603296.61 22182611.02 5892629.791 3243825.237 11-(hydroxymethyl)-2,6,6,14,19-pentamethyl-7,16,18-trioxapentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁷,²¹]henicosa-5(10),11-diene-3,8,15,20-tetrone 62289358.04 109131122.8 80256814.77 190740093.9 110218195 90840023.42 61560407.12 130754190.2 83362790.46 87555375.09 116399020.5 90778790.19 46494033.14 Glutaconyl-CoA 261673.4856 2087035.039 3369006.744 312069.1252 283735.2255 305649.6111 286256.4259 333829.5766 292279.1905 8922465.603 324519.124 4154105.884 12298037.96 Thiamine pyrophosphate 12775159.41 18302515.26 23714719.43 37634283.65 54141320.47 43908519.18 63561773.43 75872825.79 73685075.52 42765846.65 39307665.39 27582297.38 33165149.8 L-Cystine 15070394.88 10349409.19 10354881.99 10849381.07 17566962.33 12244364.12 22231530.92 22900503.87 21534215.1 11483750.23 22159143.27 17977230.66 20695582.74 1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl- 175462947.8 496941043.1 326593622.3 252938807.1 158233956.7 364821720.2 228055899.5 300477007.9 276315213.7 305967571 331667224.1 183799890 233349808.4 Adenylo-succinate 8635354.022 20788710.47 17592423.82 26041008.71 11076982.65 10457196.87 10971702.43 28885723.86 30399680.3 19094456.09 19223743.36 6552446.435 9252037.7 Alanine conjugated chenodeoxycholic acid 4409629.598 15249292.33 10369464.11 16381162.71 17314732.63 12338608.26 15150032.31 15660125.71 15632188.67 15421378.72 15026757.79 3937884.243 10399443.23 Malyl-CoA 267775.4257 335144.4855 2824513.222 330875.5164 285417.0528 332601.7259 287953.1976 335808.3359 294011.6617 10545791.64 332652.8495 4154105.884 11579091.16 Perfluorononanoic acid 2689702.32 25453877.76 12063449.05 9399640.167 5291200.095 16639016.27 7830816.161 9780104.801 9428544.445 11470393.64 14341619.3 3874075.063 7287224.858 Stavudine triphosphate 3022367.362 1771720.105 1768314.133 2053503.005 3031390.366 2643183.209 3581790.155 3257791.378 4059591.807 2763104.229 2147083.57 3887335.775 3837165.112 sphingosylphosphorylcholine 964627.0287 4658260.435 7623687.105 9595355.41 8949165.482 6511146.078 7061427.567 7850071.075 8211027.497 6807413.942 7012025.888 3221451.985 6443807.925 TG(18:3(6Z,9Z,12Z)/O-18:0/20:4(5Z,8Z,11Z,14Z)) 68903367.78 10448570.98 344388.5662 397347.0505 10901863.32 397213.153 392081.7978 25201789.32 32274099.45 5352233.094 395825.1416 41764935.24 40800518.81 Ribavirin 5'-triphosphate 2776665.597 2620931.419 2776047.466 3321632.31 3431633.886 3122638.656 3467400.311 4017374.834 3938272.59 3530431.929 2778651.374 3351505.175 2675674.626 Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone 32223637.58 39544001.34 27171059.53 35286592.41 34378551.54 32059626.86 35893161.97 34944076.32 37784935.86 27804152.48 30579293.78 29794196.2 34280360.3 L-Citramalyl-CoA 240047.3597 300440.3734 868910.6826 415501.3742 449410.5485 298160.9158 258135.7293 612359.7337 1647794.882 1552319.833 544581.6123 1589794.108 3013955.373 dUTP 1319567.734 918482.9791 1050859.538 1715669.284 1920331.442 1495743.238 1855588.351 1827278.003 1699538.719 1621025.623 1432681.507 2427219.227 2787289.592 tartrazine acid 85890097.76 254886421.2 182146311.2 73477791.42 37367983.71 96473388.75 51957138.34 76956569.89 72981245.76 80997615.18 99221107.26 18798365.9 45790437.59 dGTP 5604288.343 9987150.896 8019062.648 7289052.653 5919556.043 6417052.195 6497165.06 9084011.63 9432388.633 7395403.758 10325040.41 4394281.754 5019589.266 nona-2,4,6-trienoyl-CoA 35587686.67 39241952.54 40358307.51 37350961.48 36286469.89 37763553.74 41342330.27 40995852.03 42975629.38 51539901.23 52041799.86 50820410.54 55492763.09 HexCer 16:3;2O/2:0 104465.416 176174.9624 107093.7192 239403.1112 266962.422 733927.9658 199874.3635 174770.3318 108470.2007 612067.2068 543643.0997 209238.9692 116119.3273 Sipeimine, 3-Ac 423011.7453 505768.4447 830969.2602 563755.7459 754742.9282 906720.5896 831416.4566 528578.2074 426026.7893 1021309.441 655616.6153 569953.8989 295115.1329 PGP(20:4(5Z,7E,11Z,14Z)-OH(9)/i-20:0) 3566807.026 4044779.335 5689846.722 23338515.89 7525466.551 1753766.126 1745586.958 10839927.07 3394086.218 701655.9644 4414436.665 5461666.318 1519278.052 CAR 22:5 493010.0895 1135471.696 1051582.562 3257398.955 3045732.82 4268760.262 4282396.678 4204435.085 2903217.115 4719501.798 3632493.612 3000469.53 2675548.841 FA 32:3 430405.6586 596979.4987 863767.5591 748077.0776 786097.6205 691686.1454 2399094.081 1167584.833 865583.3214 1031836.937 821267.3401 839833.8716 446483.5479 S-Selanyl Cysteine-CoA; (Acyl-CoA); [M+H]+; 27579122.8 27191949.98 33378748.04 42547315.03 39682883.98 28381950.58 32555883.38 15808783.76 30829662.4 40831376.44 41645662.4 30566113.99 33062442.23 NCGC00380653-01_C25H33NO6_(2R,2'R,4a'S,6'S,8a'S)-4,6'-Dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3,3',4',4a',5',6,6',7,7',8,8',8a'-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7'-yl acetate 7343910.221 4758614.054 4964982.146 3247673.904 3403169.802 3807057.241 2589019.596 5300413.087 4896308.148 6289100.832 3294530.583 1663924.447 1509764.177 PA(19:2(10Z,13Z)/LTE4) 15958114.75 7832487.974 18804509.89 28156928.58 14925533.18 31436550.12 23662910.76 28527651.8 26031411.24 21089449.02 31440490.46 61627102.16 60342295.81 4-Nitrophenyl phosphate 4546642.238 527888.2914 559646.7538 622880.7059 652730.2075 637342.712 737028.468 1567025.436 2193513.842 655394.5545 634058.8241 2254784.838 1921405.403 MGDG 14:0 2550186.263 4447081.5 2264547.365 3375346.934 849229.0975 5276300.926 3969389.678 3361947.706 3831460.431 5126842.362 6348728.6 2253046.432 3522439.437 Sucralose 5258544.574 2855737.44 2862786.721 3245175.199 4992836.823 3512651.844 2931320.556 2241867.464 2179688.74 1643247.445 2597553.659 884152.8369 1140578.236 PS(PGD1/22:1(13Z)) 10126462.48 11547527.85 11640499.45 5991532.64 18991968.3 12006445.39 16357445.97 14731851.11 14584229.63 19069137.92 18770252.19 37643716.58 39970205.77 Cer-NP t63:1 461910698.6 624391469.1 570282410.3 544556173.2 458814591.1 622396436.6 532262346.2 611653947.1 611188832.6 617260943.1 615590678.6 514477271.9 582647495.3 CE 40:0 32288873.65 43645224.29 38130671.86 38312488.47 30584889.22 46595911.62 39078752.17 41888884.79 42717495.08 43420064.13 9967954.418 38280313.82 38142157.2 Cycloprothrin 31715819.18 28554796.33 23607723.87 38430696.55 49646873.63 30219600.7 33697164 41888906.2 40519299.4 30229002.78 34428619.85 42022127.06 38637033.32 NCGC00385533-01![2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 71795376.08 167991828.4 117066730.1 96974639.98 67400061.02 153514951.4 101902686.6 106954927.8 91565102.32 134475216.3 144193413.3 56982815.92 80193761.96 LysoPC(15:0/0:0) 223469.2028 1733784.183 1886107.307 3025407.967 1354603.056 300257.0254 216157.1106 2669922.344 435191.016 1173067.962 1327053.308 908461.7465 186775.7373 N-Eicosapentaenoyl Proline 4358905.256 3399489.361 3169493.313 1989824.989 4654586.407 2771578.499 4586085.73 3519298.337 5600894.401 4303325.472 3096144.53 3775938.177 4107815.611 Seletalisib 951886.3321 758993.392 666947.2759 2573567.52 1092853.425 5783612.515 2893984.376 7823126.042 6813203.895 5519283.139 4993861.158 6825803.592 6443989.875 2-(4-METHOXYPHENYL)ETHYL 2,3,4,6-TETRA-O-ACETYL-ALPHA-(D)-GLUCOPYRANOSIDE 3440069.033 4250257.533 2523096.069 689907.2463 653699.184 697308.1511 616757.4323 717824.05 705894.5542 762159.8489 728793.7385 708135.9606 749126.9104 4-Hydroxydodecanoyl-CoA 39206781.51 37684313.45 59923592.93 74046978.56 67617285.81 63064664.18 49118495.7 26075383.88 52239650.85 41192488.78 25918016 13418946.97 36053008.34 UTP 15370632.77 26039718.19 21169998.09 12944065.54 9621466.69 19268472.05 14841227.33 1921745.073 17578060.84 13755419.55 13990386.52 11399435.23 17845939.47 1-O,6-O-Digalloyl-β-D-glucose 1475695.793 5178455.077 4833409.668 7054795.905 6069553.797 3226057.184 1952508.638 4294795.362 5307208.205 3984494.376 4883818.21 2009370.512 2432118.471 Hexachlorophene 1404993.74 659943.9972 467816.7958 1228908.487 1026040.736 1221571.577 1224520.645 1211113.458 1475295.046 1696733.407 1063003.192 1917543.544 1578173.158 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 1416097.791 16866690.41 11863704.43 21366350.68 7801713.993 4901431.621 3351949.34 10869871.39 6390452.842 1153279.087 1258737.884 2877921.873 3032891.902 Glucosylgalactosyl hydroxylysine 422562.7457 855345.2501 671831.8041 709818.4078 488424.3515 187749.5387 148739.0372 655602.9377 715771.9288 485784.9785 531949.949 154911.6348 294037.245 Glycocholic acid 93686.12366 127262.0559 104144.1826 128804.8388 105433.2203 114650.1548 104052.1896 103367.8181 98454.82011 148945.0512 157468.5198 71761.9286 77354.22661 Cytidine 5'-diphosphocholine 47684412.54 75472646.33 55631658.28 77760907.88 56248207.17 52244713.34 44593915.97 75690027.94 75511038.6 79157355.83 71792389.48 39921988.24 44410559.8 PGP(PGD2/i-20:0) 1979169.849 2187467.823 1901515.345 3463020.983 2702436.403 3230267.53 2760692.561 3325813.043 2193300.12 2344063.878 3512984.64 1774256.112 1647906.428 Palmitoleamide 30884629.73 16322843.65 13208799.85 36812356.3 36579051.4 24668404.93 40713210.06 42258172.07 42618542.79 42446162.32 39851667.9 47590701.2 48345544.14 Penta-O-galloyl-alpha-D-glucopyranose 5475625.876 3558597.641 7537057.29 5182026.863 3019887.62 4235697.98 4650708.176 1432234.071 2295124.262 4280337.564 5465871.984 3310014.563 3699179.734 dG-C8-PhIP 7810281.358 16573410.16 13837496.42 13643923.76 12914855.5 11706067.85 12741115.57 16187860 15036293.44 16087772.65 13202256.29 11216467.99 12498797.31 DrugBank-DB02689-CoA; (Acyl-CoA); [M+H]+; 726450.9384 582920.8707 287646.5103 1619319.979 1033875.738 267903.9449 335689.1989 1116080.568 926347.7742 2075922.385 1042754.734 695412.1644 755826.5177 Uridine triphosphate 826747.9941 1647575.681 1961465.886 2749682.125 3211447.771 3204023.315 3154677.022 2560242.29 2281258.355 2841700.243 3511985.05 2776789.874 3070857.721 2,6-Dichloro-N-[4-chloro-3-(2-dimethylaminoethoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide 68438095.71 219798430.3 154825007.1 59941113.24 29162715.34 87002339.09 39106990.03 61392347.75 57319217.72 65457987.04 77550671.03 13656889.63 33275565.94 2,4-dinitrophenyl-S-glutathione 27421823.22 33942621.06 23995013.62 34342575.12 26646530.7 22494161.76 25901720.92 29457038.82 27276474.29 26244331.89 28612817.25 9280384.036 10470901.78 Carminered;Carminicacid 184449399.1 376867969.1 289123882 245147258.9 172896835.5 328862567.7 251219593.8 260506112.1 244117445.3 314745151.5 322494385.6 160919076.7 206578659.9 Adenylosuccinic acid 88260431.82 70995565.72 48823905.32 14333364.14 22259929.41 8153346.561 14857921.47 15293767.91 16057489.46 1598512.28 3895467.07 13086373.18 11573801.58 PE 19:0e 6009033.986 52625989.7 69448864.74 16823648.63 33881806.11 5263816.585 7563620.845 125104891.6 37822062.72 37147486.25 23476826.41 57115876.54 14570208.03 1-Palmitoylglycerophosphocholine 418335.8737 10678362.13 6433406.479 19785578.81 8316351.898 2327906.235 1512465.859 28052004.32 5395837.378 11473952.09 12890097.42 8736491.763 2139683.867 TG(15:0/20:0/18:4(6Z,9Z,12Z,15Z)) 436686.0965 399429.8922 421844.2557 468812.6554 492007.6579 489905.5064 484376.2096 499380.89 488924.7267 505360.8317 482553.146 2158691.61 1729697.368 {4-Hydroxy-5-oxo-3-[(3,4,5-trihydroxybenzoyl)oxy]tetrahydro-2-furanyl}[(3,4,5-trihydroxybenzoyl)oxy]acetic acid (non-preferred name) 2368678.462 1441756.443 2586362.59 2473291.302 481693.9554 1503023.443 2042942.813 579734.4093 3021138.692 490535.2595 1338643.977 545258.1374 512881.0282 Ceridimine 6609422.956 11777766.63 19968633.69 3708319.295 6606188.953 10172728.47 7720167.748 8503277.03 8534979.053 9421558.481 12843354.96 1010922.865 1961242.861 8,10-Tritriacontanediol 681749.9946 830898.6629 196524.0586 607358.6088 187357.7991 531415.9453 219645.6488 221542.4175 848213.6572 206182.8166 1005560.028 162896.224 180982.3365 7-Aflatoxin B1-fapyguanine 758587.8375 852698.0727 1088180.597 412060.3008 332459.1452 672148.3988 296343.8994 642961.4096 1588128.157 405126.5308 456335.9035 716978.3931 345000.1107 "2-((4R)-4-((3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid" 320171.1401 400532.3794 356692.7719 337441.2039 318795.1641 336737.4503 305749.7503 317698.2011 342071.8884 348145.0531 339871.6321 290999.7246 303993.1353 N-Docosahexaenoyl phenylalanine 6401658.43 15205721.88 6018164.603 14901199.87 8651793.135 6373350.447 7720167.748 7409342.568 6935023.638 9421558.481 10009109.23 788905.2747 1507517.981 5-Hydroxyflavone 7056640.587 8211839.007 9704603.089 9490681.015 8982826.052 3431633.813 3197139.841 5807855.048 4943910.587 3081737.794 3157245.553 2427393.575 1829413.249 NCGC00385789-01_C26H42O9_5,6,16-Trihydroxygrayanotox-10-en-3-yl hexopyranoside 6401658.43 15205721.88 17682359.94 3299946.024 8651793.135 10244898.19 7720167.748 7409342.568 6935023.638 9421558.481 10009109.23 876251.825 1507517.981 Cyanidin 3-xyloside 14470885.57 17649093.71 15653268.19 16709327.65 15806302.33 14746077.66 15832209.86 18035343.46 16488655.23 14987923.48 15367981.82 13498809.46 13022860.47 6-methoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one 6605422.087 52543578.82 40638767.53 47856882.96 16346060.44 37848933.47 16979520.5 44999757.64 25420638.22 9103586.28 8330532.008 12532896.97 13189025.34 Adavosertib 4322038.996 2101027.497 3370807.221 5716838.414 5143297.809 6829413.578 4287672.978 2431439.652 5774301.222 5820117.412 3958944.758 2920579.104 3582129.863 NCGC00380774-01_C22H27ClO7_ 1167964.315 8310049.099 5795384.663 7572110.51 2780573.96 6065197.216 2630123.987 7824278.455 3892968.991 1359440.131 1409150.218 2016577.377 2077041.791 Fructose-6-Phosphate 2006251.995 1934890.29 1942129.923 1847809.053 1970878.381 1884668.763 1925329.041 1972947.261 1909278.965 2023372.974 2083843.614 2059433.757 2023448.526 Doconazole 2089600.028 1347574.551 1864859.278 2702950.845 8438393.824 2066675.59 7833750.13 3311605.225 6387669.311 5177381.51 4486749.464 5202728.694 5725502.428 8-(4-Chlorophenylthio)-cAMP 5821271.106 5470645.58 5209495.273 8861589.353 3193915.539 5873081.246 4372954.628 6559676.14 8321009.095 2521368.129 6559483.84 3075059.376 3466690.367 (2-Iodo-5-nitrophenyl)(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone 2288105.125 1051959.927 1116396.908 1133975.467 1179256.28 1175368.559 1297418.977 2216772.515 5891316.844 1224872.792 1209213.337 15215443.53 13563261.65 Lysyl-aspartyl-glutamyl-leucine 3062814.42 5642974.471 5407068.477 5791673.328 3324588.632 5825647.545 3718559.507 4864472.974 5047115.066 2230273.41 4994577.726 2897540.831 3218505.944 J Acid urea 10935727.86 9195973.642 14819875.01 42317722.47 39561508.63 25055881.61 25632701.96 35565960.01 33366080.12 31502674.09 28112809.06 25119543.65 26380571.56 Malvidin 3-arabinoside 2902053.801 1019016.264 2137003.924 1228106.078 1190501.249 1390277.922 1238575.325 1295670.213 1197898.073 1338453.106 1259878.656 1322776.539 1358111.612 1-eicosanoyl-glycero-3-phosphate 2164038.362 3585742.553 3463150.526 3732197.645 2636000.831 2421387.743 2586767.393 3416136.906 2889355.446 3145486.96 1102433.918 1427020.509 1772058.121 lusidol_B 894455.1022 1147461.663 1804687.647 998070.7063 995531.9916 1004103.119 1004646.279 1088618.156 1042705.949 1125594.997 1110069.026 1146405.991 1216195.428 Arginyl-glycyl-glutamyl-serine 2515885.947 4392647.046 3454864.621 3294195.705 2691392.381 4675805.866 4627351.541 4607114.239 4809660.158 7000709.41 5975795.265 4065380.723 6019288.384 Tripelargonin 577485.9691 400527.3777 439435.9434 466727.2801 683992.1191 746604.3644 740432.2134 401320.7377 1481657.528 597540.6696 626706.8254 1344206.407 562201.5595 CDP-DG(18:1(12Z)-2OH(9,10)/i-14:0) 3069131.129 6294227.601 5011390.014 4861427.835 4021825.04 2655698.994 3296974.737 4715026.394 3830670.12 4265701.639 5473420.927 2106373.599 2439193.077 SM 56:1;3O 504933.9293 6627493.763 7504598.095 3804546.45 618262.4952 9930571.725 656821.7765 3519775.401 2460889.479 9323841.257 11263438.52 684387.7391 706450.4575 5-amino-2-(3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl)-5-oxopentanoic acid 4003191.129 7059750.789 12390364.06 15002101.37 17695935.83 11654078.39 6828098.954 24384425 9549960.647 18309381.06 14364061.07 26871012.07 8214043.022 TG 16:1_18:0_30:0 5609981.324 40371177.97 18695825.94 12508745.13 2872603.494 21002304.74 8758269.241 15626568.47 10502564.75 15238291.16 19089438.91 4205886.11 9549311.558 Pyridoxine 5'-phosphate 235817.9051 387505.8846 333025.3151 378674.4075 303961.566 367960.9864 273972.6525 351290.6935 338596.3007 360577.7331 408972.6993 258377.9325 286980.9406 Taurocholate 640985.3476 820800.7103 813443.3162 807840.3856 687248.7838 667143.9885 634874.0112 679221.7197 673813.9214 731389.6096 752097.418 593493.4822 611766.4543 Cortisol 21-mesylate 147474.0581 422165.0329 540384.9842 1701476.665 1637644.589 1698873.271 1503983.199 1360523.545 1683765.358 1233773.374 1427851.05 1333814.08 8328263.452 PA 23:3 357325.321 630562.0739 1175119.605 2137395.476 3345296.729 2523370.508 1510172.241 3941178.476 2553474.476 4078615.051 1738001.173 4367990.939 1136463.916 2-Methylthio-adenosine-5'-diphosphate 1315303.728 902609.3491 985031.9486 1458073.083 1564691.294 1191555.096 1795792.275 2847624.607 2438778.69 1564658.788 1223140.442 2120268.341 4462886.211 DGCC 28:0_26:1 10961445.52 17806792.99 8512832.308 7649314.537 5263046.382 8457236.555 5119143.418 3669029.039 4259032.451 7323349.24 9480591.531 2809389.762 2021020.364 Cer-EOS d68:5 9941485.187 14406489.82 20620388.08 14913694.13 9977781.304 22942198.5 17877033.94 13702277.28 19274244.52 19110928.98 19910612.83 16787668.22 24295789.07 CL(i-16:0/a-17:0/20:0/24:0) 37953968.41 39222399.66 40440128.64 12278245.53 38969588.97 37206938.91 31412178.75 32989896.35 28668626.62 41133929.51 43791085.54 27566700.82 27796198.45 Ceforanide 457198.2889 743215.7876 661969.4382 1083703.502 1326799.159 750598.758 2815217.435 733157.9131 775865.4147 733326.4517 2249490.415 561723.8674 624185.1307 Adrenoylcarnitine 924456.2387 2430856.519 197256.7367 1368637.483 331554.9516 4168026.75 2345233.245 2507420.398 2769650.346 2348484.036 1960058.655 1353838.035 1640689.425 PE 21:2e 6118487.485 29572354.73 25056360.7 36147832.64 25132678.15 19389941.56 11623093.56 63721925.07 46756489.52 41391206.85 32822234.49 26771223.11 24450235.5 1-Linoleoylglycerophosphocholine 3291357.545 9296599.9 3099504.087 7844255.919 5924171.178 2633500.835 3284982.307 14980490.71 12092438.87 4508655.062 3211974.868 10351688.84 9665145.651 TG(14:0/18:1(11Z)/24:0) 1127536.71 523712.4408 553101.03 615595.387 645095.7637 629888.243 1577180.639 616956.9178 4154672.358 647728.9481 632699.482 4896222.442 5456944.24 Avagacestat 2856369.835 26442425.16 18076509.51 22896494.6 8211702.184 10351614.66 10284103.95 31007510.72 15254310.58 4119702.302 3328847.935 12908498.2 12256162.85 MGDG 17:0 3893060.749 6242379.489 8106045.165 10821792.91 11522922.31 16071594.33 10381843.46 10113938.02 10129585.32 11179567.09 8773671.7 9470431.57 9946787.123 SM d58:0 52584086.04 67498875.49 65863438.81 69814544.45 56072103.59 48810116.51 68935884.88 82978755.82 73600660.53 83954964.37 78241982.94 64848301.14 76162027.05 D-Raffinose 19534258.74 69105493.38 49741494.91 71634508.59 50166882.18 91399302.07 36726440.22 93376720.36 72348529 34075133.77 30115375.47 75694929.31 120933355.4 1-Oleoylglycerophosphocholine 2581063.395 12937771.4 13945964.11 21518884.62 8520465.535 1760741.666 897353.1686 4418711.326 5895190.409 9450310.448 10778049.24 9132873.261 2466559.743 5-phosphonooxy-L-lysine 39937238.2 35076632.47 36839773.58 43589055.56 47834355.48 36744818.75 27416817.6 33558315.89 27528309.92 41017816.62 27976135.17 24266672.43 24820607.17 5-Methyltetrahydrofolic acid 2484498.131 5814624.841 4594574.252 5066005.077 2879871.563 4043522.56 2511795.733 3210433.891 3129564.717 2568825.891 2793398.198 899630.8939 1555712.649 Stearyl citrate 468447.6696 586004.1331 568276.1458 717883.3098 634186.5877 828383.7923 912208.3489 523464.8398 1118131.536 515197.3126 891251.7248 392329.0731 432242.5881 Cer-NP t69:0 8652506.259 9947196.48 11472634.54 8255604.622 13217437.37 15498237.59 11650364.59 15048663.34 16552741.29 6768982.376 7212275.643 10924827.89 10479679.07 Hapten 20121310.41 17940182.56 9965437.242 9075191.333 9253378.974 5946391.687 7698698.096 4834356.124 6534147.554 5665567.534 2162885.281 6438125.587 6960861.672 PE 21:0e 4623696.612 28674110.24 33774128.61 52210724.73 28494326.62 9506073.765 5858813.78 71564909.22 18221709.6 36558857.68 39762299.03 30500321.23 7867163.991 6-Mercaptopurine ribonucleoside triphosphate 1798876.456 4798166.488 59662283.25 4452676.85 5555025.789 3586899.992 3609099.327 4493753.045 6039999.056 18442531.02 3004283.713 1207559.045 6017443.197 [4a,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate 1077568.419 5534949.105 4571940.572 4118200.995 2472878.539 3939751.413 2409822.677 4120703.004 3286804.787 3224284.348 4380044.732 827995.6582 1345614.639 9-Hydroxy-9-methoxycarbonyl-8-methyl-14-n-propoxy-2,3,9,10-tetrahydro-8,11-epoxy-1H,8H,11H-2,7b,11a-triazadibenzo(a,g)cycloocta(cde)trinden-1-one 1583604.099 4147738.239 3219291.112 2803657.131 1742617.358 2774490.807 1770098.328 2344775.668 1461132.068 2184479.82 2358250.759 961115.6118 826235.2856 LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 1123902.895 4425287.756 3950637.023 3137620.716 1731784.987 841461.8064 1089703.687 6254094.54 4645065.942 4636603.409 1469054.716 2985681.768 3559708.292 TG 16:1_18:3_32:0 6511627.213 41253911.27 20219085.94 14476092.09 4562704.186 26455506.36 10679902.36 17301852 15668882.48 17776498.49 23962190.8 5991902.512 9538792.91 HexCer 22:1;2O/36:0;O 12141646.99 8636246.799 9282340.549 3789125.393 5756810.664 1907694.178 2010193.806 4359721.266 1903139.275 3843316.576 2786612.684 2145559.068 1673162.909 Peonidin 3-(6''-acetyl)glucoside 471497.8234 857176.7952 699766.5756 678167.8192 563128.074 747301.0254 664020.1076 675723.5322 762243.2898 776655.3295 783218.0267 683231.085 731180.6749 Fesoterodine fumarate (Toviaz) 1153565.96 2204474.978 3774723.768 8003594.826 1575124.361 3802744.655 1609079.163 5219377.109 1629963.714 3784191.693 3339668.213 5282729.266 2047218.272 N-stearoyl-sphingadienine 295275.0283 358296.6548 437817.1951 4929577.221 6714453.767 4957981.148 6855851.81 7954977.172 9727134.539 8218307.419 7900152.164 11158882.65 12056352.9 ((Perfluorooctyl)ethyl)phosphonic acid 9476076.102 21410463.7 15966249.76 11116242.07 728610.8654 5386236.351 2771022.572 8591128.131 9574775.066 6527457.019 3465029.908 771260.8914 1078232.995 Cytidine 5_-triphosphate 25071052.4 29714294.3 25338952.16 6243078.602 4847855.268 3309986.956 6296976.762 6940777.541 1484978.948 1454703.943 2170016.114 5530326.929 4441826.729 D-Glucuronic acid 1-phosphate 13345822.07 16302549.71 15460530.44 17370736.32 15307435.78 10628235.11 8402348.977 12147402.03 9642052.364 9805158.256 7334419.308 2526255.736 6958061.848 Glycerophosphoglycerol 1585440.057 1059149.34 956336.5701 3614193.438 3867540.457 4533725.263 5767343.714 4574370.242 4985898.319 6019872.567 6043920.943 5119943.125 4861119.236 [SThydrox]N-(3alpha-hydroxy-5beta-cholan-24-oyl)-glycine3-sulfate 433803.8156 567062.5534 497284.1872 542142.169 513918.9634 775359.7197 504254.3176 510038.184 487762.6005 628557.6635 689824.8662 362616.8241 361210.6233 HexCer 21:3;2O/38:0;O 682404.1801 583062.1057 609323.1615 703022.065 720668.0148 679166.7632 693706.3074 8295464.937 696746.1996 722191.0493 700329.3672 4411866.414 6611536.83 cefsulodin 36444268.02 80518746.53 61079566.28 79955570.63 55393811.45 71358525.07 47481583.95 64214759.34 55764279.57 59785653.66 64504665.7 28587526.69 38496910.9 ST 24:1;O4;T 2899561.15 3466822.255 2762396.25 3864299.932 1989555.983 2495721.049 1995903.816 3623173.238 2920227.962 2596923.34 4493966.155 1712500.546 2022885.614 PA 24:2 141772.1528 174484.4849 166956.9882 185759.0217 178811.8321 248227.416 174901.4734 150124.0728 169711.0448 194060.5452 215906.297 121111.3879 118463.8375 DG 35:0_34:9 6372548.665 4326203.225 8494628.497 1471394.763 731484.5159 2478046.598 2490298.452 771277.5136 1094999.351 2633364.513 2672621.423 722306.6695 737440.9344 (R)-4A-(Ethoxymethyl)-1-(4-fluorophenyl)-6-((4-(trifluoromethyl)phenyl)sulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinoline 209093562.5 215710530.2 174971492.2 290629311.1 392687101.6 2055424382 233891680.8 474595723.1 155006034.4 3582006945 946177233.5 227696714.5 74901954.06 Setipafant 203188078.1 203862866.9 168793513.7 281574164.2 367402927.3 2001634019 221940933.2 459749121 146745020.6 3544232743 920896415.3 210951471.8 70769533.43 HexCer 8:0;3O/12:1;(2OH) 838828.5374 837835.7399 308268.556 679290.4111 1377524.291 1348656.743 1719609.904 1640497.707 1654256.984 2029648.527 510465.9175 1202337.373 1103374.555 N-Nervonoyl Lysine 290004.3286 1598968.879 2239107.422 386608.0691 545668.7337 393441.2482 881168.6332 858777.2263 1043079.33 5833725.255 838214.7712 2463012.101 6162617.653 Dimethyl cystine 11192031 15227594.23 10614270.82 12685802.55 10943704.13 14700416.91 15289407.05 13797467.79 12805883.4 16192657.28 16266827.21 14136906.19 15408878.87 L-Homocystine 11192031 15227594.23 10614270.82 12685802.55 10943704.13 14430592.86 15289407.05 13797467.79 12805883.4 16192657.28 16266827.21 14136906.19 15408878.87 1-4-beta-D-Glucan 11355650.56 8133820.846 2987986.322 3365534.385 1624793.343 2637259.031 2637146.676 2970647.744 4076214.122 11374283.36 14008125.07 299447.3727 2363652.387 PIP(18:3(9Z,12Z,15Z)/PGJ2) 1795212.142 3051342.909 5202365.136 61659833.94 13064666.24 6909424.665 3123437.775 12737982.06 4960133.73 7370045.789 3578778.225 6878021.405 2090409.979 PIP2(20:1(11Z)/18:1(9Z)) 1570376.127 2337695.94 4011847.916 30910208.24 9804233.656 2584060.349 2058708.69 8988870.398 3563743.898 717488.3226 5597498.956 4224763.326 1345639.479 TG 16:1_18:3_34:3 7656415.257 49167590.06 25119494.33 18371158.16 7729841.39 34179319.59 16298082.18 23599410.44 21587137.32 22757235.22 25905017.35 7719061.936 13189774.47 5-Methylthioribose 1-phosphate 423888.2899 786399.16 2233950.88 4819325.737 12903222.14 11782063.01 14802230.16 16151784.63 18022481.94 18762043.29 18344517.95 18967762.51 19832957.06 CDP-ribitol 2722751.651 4984778.262 3567755.289 7304399.104 5188390.037 5202242.498 4914472.064 6856005.698 7044039.951 4229756.787 5040446.086 3443064.808 4225674.623 N-[4,5-dihydroxy-2-({4-[hydroxy(phenyl)methyl]-5-oxo-3-phenyl-2,5-dihydrofuran-2-yl}oxy)-6-(methoxymethyl)oxan-3-yl]acetamide 4107900.502 9001277.072 3610825.517 6747948.053 8059811.081 16403072.32 4236651.582 9425576.328 3619196.162 78910518.6 20483756.88 13175907.8 1282286.614 Glutamylcysteine 143102.0162 230399.5803 225115.1214 738274.9515 685053.0968 787985.6561 717663.7428 671018.1936 775727.6541 743188.1143 350801.0482 973375.7002 887646.809 γ-L-Glutamyl-L-cysteine 204737.4246 285036.3563 282727.4727 1080281.629 1179867.956 1194579.739 1167083.147 1085144.459 1186022.418 1181684.061 447137.6246 1351926.568 1362154.426 Cysteinyl-Glutamate 26190144.54 20106585.25 21178697.19 14497102.96 11315317.39 15621766.63 18529794.49 10247046.27 15664237.57 17418841.34 16016414.69 15565245.14 17530958.72 5-Carboxypyranopelargonidin 3-O-beta-glucopyranoside 175599.8724 252473.8109 250902.7569 1165381.091 854678.9555 450022.8844 539390.6842 608268.7938 678272.1272 364432.5398 398556.3019 287615.7887 682515.3495 Ellagic acid acetyl-arabinoside 56910859.69 51854287.24 47399190.66 29344237.22 25426130.75 18724701.44 18328895.06 22565313.98 21022182.97 14042116.44 11517698.03 15279767.55 15716386.88 4-methylpentadecanoic acid 710254.7215 1529582.557 1761719.58 1169325.088 749903.4238 1392527.883 800619.6558 1342542.796 1699947.455 4834696.062 2353771.277 1863376.382 5166014.19 HexCer 22:1;2O/38:0;O 4320834.095 18588928.19 15406394.63 9331774.999 6270711.584 11861304.19 8644458.368 11498234.42 10539107.99 6764547.596 6838337.083 5487143.739 8893427.894 D-Glucosamine-6-phosphate 9600149.051 7356401.506 9040989.331 5421178.057 6594711.396 5008722.71 4512612.521 5592327.819 2990820.391 2859071.812 2576525.878 1899167.004 2139831.549 CyclicADP-ribose 607537.2073 683418.7825 820715.1602 458545.2001 378445.4658 457521.3453 428018.494 456985.3126 845044.5682 354631.4545 425098.6419 349912.0689 414517.8235 Retinyl palmitate 329103.4506 411901.9001 756392.3666 434295.9322 733329.4768 408776.7778 353902.4938 472938.0188 769268.1654 1184513.49 961485.3952 1413694.139 2658983.917 Cer-NP t33:0 184970.1934 243752.7681 218136.9349 218296.7441 190604.4365 225786.9421 190921.9169 219225.1746 205641.1172 219208.3381 283760.4794 163981.6445 179637.4809 CL(16:0/18:0/22:0/22:0) 511855.6633 489558.0403 476976.8239 4338230.226 1791122.782 2532413.055 3302081.617 2650933.617 2679153.109 886692.0593 2221764.055 2357030.553 2679818.158 Chicoric acid 1439860.903 414411.2987 360924.5933 357390.6162 279702.4721 368786.5624 262474.9642 321162.6702 333885.8593 351376.7771 415843.0736 266944.7612 299227.5692 Chamaechromone 516114.1879 1648696.014 1693842.329 1908416.683 1317458.863 2045934.409 971406.0709 1279797.132 1229408.276 1095758.166 2259218.331 226695.9887 632139.9439 Cer 35:3;2O/40:11 45761014.52 10109774.8 7782834.848 15341430.03 32879445.23 32658813.53 36961767.13 17086936.55 42846965.76 21875609.31 20279452.04 44818025.11 37644920.7 HexCer-NS d62:4 78820525.29 30186455.16 41659974.44 2006492.605 35550190.57 9050765.126 46038487.4 35678773.08 48928509.69 22617534.95 1695541.348 65157211.11 68169237.53 Glyphosine 3053167.104 8652526.207 7976947.693 12812631.56 5300676.693 10693467.31 8185804.04 9482775.135 9824966.754 9732672.49 11350006.27 7574949.332 8391576.395 LysoPC(20:4(5Z,8Z,11Z,14Z)/0:0) 354119.2422 7399655.605 5990472.573 867096.0624 7819035.791 395751.3098 218154.516 11924843.97 8886622.672 13024056.48 14014480.29 4232762.251 3674490.647 2-Cl-IB-Meca 17401182.17 13796833.22 18735276.26 33514084.37 52329782.41 40135562.49 62321541.02 68626332.39 69035942.27 40326365.67 34561103.33 97836304.95 98865347.49 Uridine diphosphate glucuronic acid 10460428.97 13796833.22 18735276.26 33514084.37 50772179.59 40245693.25 46391967.94 51003233.2 39420759.37 40326365.67 34561103.33 25481805.91 30331506.11 Bicornin 55907210.17 63760462.69 32163766.14 63437847.97 57561337.37 34738892.34 73492066.3 67444400.87 69910138.29 75217963.56 69525495.24 56974475.04 68452479.6 Eumelanins 186030.3974 137791.0568 336862.8933 541409.3913 739179.1449 184711.0393 933337.6135 961980.6365 1562257.805 438187.2292 363878.3623 288933.5963 1295456.586 NCGC00386014-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]-2-(4-hydroxyphenoxy)oxan-3-yl] 3,4,5-trihydroxybenzoate 537347.5263 3476126.068 2011248.634 1980613.489 1317458.863 2045934.409 971406.0709 1321081.659 1229408.276 1841427.229 2259218.331 240295.1866 632139.9439 HexCer 21:3;2O/40:0;O 209417097.7 450726098.5 330958954.4 296341575.8 199796274.1 390937065 265243502.7 337001322.9 317134648.8 336703920.2 363958835.7 225138186.2 285508342.5 dTDP-beta-L-vancosamine 766383.3443 3493939.456 2289923.919 2183863.739 900661.9544 2318644.761 1064520.672 957477.8208 782925.8483 933467.7801 2046493.968 206399.8006 464634.5965 Adenylsuccinic acid 13417337.99 15338216.91 8222323.56 10623632.23 7948162.786 7641239.541 9065770.287 8549947.277 8341148.231 7502580.82 4923974.644 7472906.569 8083052.051 5-Fluorouridine 5'-triphosphate 73850.13174 82444.78037 80166.16781 105248.3116 103768.6323 102294.9058 101971.0284 103441.9757 97548.95619 95692.65555 96801.45219 93271.52802 97759.39899 Octadecenoic acid 2428851.781 7509093.102 2615802.069 4359267.206 1078811.675 5630181.901 7337477.045 2335313.179 4214056.355 6250344.795 1529668.417 4449415.706 2618435.582 Oleic acid 49210446.71 40352736.33 29951656.88 46275845.9 49718598.36 44357206.12 61286287.63 51374845.94 60001296.77 53123497.31 57914517.22 68151920.82 70759570.64 Fructose 3-phosphate 404564.6543 638096.0506 569504.3897 2177582.082 3490522.451 3790857.816 4827178.519 4335201.416 4915864.447 5679479.474 6834884.852 10163032.78 10672133.96 LPS 20:3 549939.8451 1626265.387 3580858.162 3188983.646 4900227.35 2875901.376 1541056.537 4546065.809 1446555.461 3267486.701 3122978.539 4119946.098 974944.771 2-[(3-Iodophenyl)methyl]-1-[[N'-[(3-iodophenyl)methyl]carbamimidoyl]amino]guanidine 4117252.714 19006954.6 19734431.28 7671599.23 2661328.126 8203722.978 4097513.295 5474270.76 3330497.908 7518528.052 9479748.112 1082674.118 3442619.73 Carboxydextran 459464.7253 1487971.525 744343.246 193602.1077 144377.398 618232.5326 353353.9654 231315.5141 293254.1572 305904.8 320606.5219 108341.1041 177003.036 Shikimic acid 3-phosphate 21894519.87 11671747.84 15280663.42 11516575.49 13860340.13 9276783.647 14696810.69 13157152.2 14761024.99 9234828.208 7409564.57 17200429.55 15159297.91 TG 16:1_18:0_35:0 59908830.96 31467254.39 31878451.05 27755476.3 41260883.53 42007911.94 52562393.46 48924336.92 69317962.52 49046950.12 40240839.64 120156705.6 72106405.21 CDP-N-dimethylethanolamine 443405.2769 720480.1038 641884.2868 651439.4323 507392.8307 632619.2351 511228.7217 612778.8298 639785.3559 711203.0519 760402.6224 537230.3247 605354.3669 Imcarbofos 329578.0146 530033.799 488604.4101 479919.8836 384596.7805 461937.8263 370374.1542 452847.2755 439803.3467 480222.0584 551868.7332 365726.584 434220.6031 B-Raf inhibitor 7917323.865 333063.3016 189859.6597 10143409.5 10048451.18 324949.53 6766292.272 14085512.04 258640.7163 314488.571 380088.591 12376278.37 9562934.855 CDP-glycerol 9342366.228 16022407.51 13269136.84 16813339.66 12278701.62 13978152.14 12259625.58 16850525.15 16709291.87 14286244.95 17809141.21 8573913.381 9090691.111 Tolrestat-CoA; (Acyl-CoA); [M+H]+; 4670610.659 13897444.21 9501516.053 12644032.74 5894621.35 14283179.26 5901793.117 11178170.34 10497576.2 12778922.26 14325874.13 3348565.07 6578087.491 Dibutyryl cyclic GMP 19081830.35 17983142.83 17177374.93 18021334.38 15761714.89 19766988.35 22154158.73 22662575.79 22526521.45 24455394.52 22098307.91 23544967.03 25225753.62 7-Benzyl-4-[(2-hydroxy-4-methylpentanoyl)amino]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid 617789.9331 845069.2954 1153057.04 2774844.208 3111314.805 2644008.368 1945587.755 4923808.215 2790679.525 3929443.802 3724483.653 6344376.408 3383187.243 DG 36:5_36:6 41247825.88 78435610.09 66870090.23 65300786.54 50855312.74 89664289.39 59636418.93 73646213.37 72094094.72 76828091.49 81791272.04 53405298.92 64048240.75 HexCer-AP t61:2 9239349.433 8402646.555 12943969.26 14403794.61 9425780.736 19651533.29 11180415.12 17611352.72 16228702.46 18345425.61 17990943.83 10746730.3 12914762.03 Ceftriaxone 8570463.123 60099573.87 67504091.62 12738745.84 8583061.329 11832402.83 7664199.765 9957239.171 13614019.78 9740408.741 104235089.6 10859181.07 8502151.46 Ganglioside GA2 (d18:1/18:0) 1118883.116 1365499.2 487695.3257 661394.9894 879198.6692 631502.3682 669462.486 378806.7522 812499.4648 2707386.639 3332537.953 899532.7213 1481275.268 Lacto-N-hexaose 581314.1037 865275.6678 807366.4642 795348.0749 796868.2292 779335.5819 780254.3238 795284.6134 836313.556 898958.3124 1000804.851 820450.173 936109.0884 Cer 37:3;2O/40:11 4828699.564 6681536.016 14949138.44 25501149.42 16309380.21 37318066.05 27773803.72 35268639.29 32083893.07 33189355.27 35094179.51 26271642.37 40690341.13 NCGC00347572-02_C30H39NO9_Pentanedioic acid, 2-[(2R,2'R,6'S,8a'S)-6'-(acetyloxy)-3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4-hydroxy-2',5',5',8'a-tetramethyl-6-oxospiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-7(3H)-yl]-, (2S)- 1282086.524 2552909.551 2844988.518 3110852.197 2161260.937 2660151.424 1740200.933 3062208.037 2553473.585 2067984.306 2598686.365 1752599.599 1648882.943 Cer-NS d36:5 20091505.15 47804457.41 31029836.78 33473063.2 21265579.67 27925704.01 19137658.15 27785900.11 23512826.38 25507958.07 29915235.02 14802997.97 15612311.97 HexCer 21:3;2O/42:1;O 640941.5081 586259.0991 619157.5496 689115.5697 722139.1585 719053.7474 710938.179 732961.1437 700945.6129 741738.1414 708262.3963 4477757.994 4573233.932 PC 60:5 4228780.815 9870680.67 16901094.58 5824143.183 5083544.604 3129575.588 4389939.953 3777267.142 3120034.979 6353696.779 8115089.258 1018124.447 1455390.801 FAHFA 36:4 4885537.494 9870680.67 10100997.03 5824143.183 5083544.604 3129575.588 4389939.953 3777267.142 2762432.626 5723365.336 8115089.258 928146.146 1455390.801 HexCer-NS d64:2 2456907.874 2951845.469 6131678.834 7088347.847 2931799.439 10447143.74 5519306.932 7428902.374 7318534.598 8829233.854 9735655.787 4728836.182 7820324.374 TG(i-24:0/i-24:0/i-21:0) 9857403.451 17633761.18 15692318.73 18460376.85 13911242.39 12429862.74 8266018.479 6216752.479 8312548.814 17182618.97 8740939.527 7347195.226 7869475.08 1-(5-Phospho-β-D-ribosyl)-AMP 365706045.9 631903069.9 542331114.8 520760548.4 466549949.9 610351288.3 496518086.9 594044038.6 523990500.4 553190731.4 585389447.7 474444753.7 503768403.3 Trisaccharides (Hex-Hex-AcetylHexA) 268674.2629 1008521.648 1154402.134 1136899.739 661090.8915 1028598.418 275397.2504 642008.9007 530490.4108 842178.5073 448386.1228 199022.9631 210077.7677 HexCer 37:3;2O/28:3 403505621.4 442230333.4 431133409.7 442043198.8 396441568.1 480362076.3 464569486.4 488338759.7 504277024.9 505011676.8 490094950.4 471585512.3 507406774.6 TG 16:1_18:2_38:6 34159023.48 17198638.03 17161236.58 34621816.79 33395855.41 40045565.6 36516239.56 39830369.52 40609044.46 40762016.81 40385746.97 38304446.21 43799378.63 DG 37:0_36:9 26865088.65 2943063.563 2974507.579 7037293.918 9300896.281 11273317.3 5255566.704 5671185.392 6617840.424 4988439.048 24808250.84 16086238.32 15703977.47 4-Pyridoxic acid 5'-phosphate 9180269.727 3823792.688 6047401.882 4666769.93 5504930.858 2325979.409 7317814.094 6491643.136 6191039.299 9758002.335 3706763.2 9880532.172 9107335.835 Cytidine-5'-diphosphocholine 13929020.92 7577303.843 13221518.19 9047332.702 4610448.757 15063662.33 8541843.164 5850726.05 6868292.034 4222455.58 1732581.263 1837877.672 7497369.286 UDP-alpha-D-galactose 1819016.288 3586384.362 5775659.806 13101355.89 14164293.81 6001974.954 6340173.912 10906494.65 11663413.65 8340153.708 6577976.266 6431615.056 6696804.546 3,8-Divinyl-2,7,12,18-tetramethyl-21H,22H,23H,24H-porphyrin-13,17-dipropanoic acid 400730.714 1460014.734 1444675.432 1741345.825 1875516.4 2485196.696 1569670.868 1207127.51 1246813.908 1923447.961 2469156.298 764886.8249 740567.1699 euphodendroidin W 138307.349 140298.3017 182256.4807 187138.6659 243955.1689 263808.0023 205900.9294 188367.289 216552.855 297574.9584 156955.5851 460202.2218 180996.0691 FAHFA 36:1 3518578.309 2771549.83 3284780.318 4327418.555 4736072.075 4355242.285 4893422.118 4850317.531 4990474.562 3961160.115 4102715.025 6147331.151 5289806.186 6-Thioguanosine-5'- O- triphosphate 7857899.648 5292329.378 6371047.629 3802886.224 3769922.206 4269988.576 4260160.326 4653012.139 3695580.874 9758002.335 3706763.2 3707290.8 3972669.435 UDP-α-D-kanosamine 1206799.194 2650463.52 2124292.79 2016917.774 1721255.818 2224041.885 1775214.414 2221931.959 1946486.855 2171130.625 1970458.506 1488664.003 1791647.519 PE 64:3 4397809.817 4472470.087 9239078.338 3650167.317 10008573.9 5741235.638 12724294.87 3733058.772 7086251.031 10724915.29 3811029.75 14648306.99 10284648.41 LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 6839269.983 21728728.93 17665209.23 23115096.91 11845719.44 27065953.1 14613740.69 34891771.47 23296971.43 47347186.97 45469164.45 18614454.35 19071837.09 DG 38:0_36:10 290560.9333 352576.4132 430827.4003 6156315.042 7878956.329 5782757.523 6850206.115 10617355.04 12366468.25 11578604.1 11544861.69 14666289.73 14235382.98 Caged insp3 696936.7144 2204427.032 3059532.098 15981735.22 13272116.94 14769596.31 9144604.212 18805602.41 18284219.99 20047254.09 18904277.49 12645893.31 15445450.64 DG 38:0_36:9 8122128.493 6951743.913 7033713.879 17685525.62 13210510.86 18920860.53 18461388.2 18497673.58 21642283.06 15323715.7 18072783.97 15103777.74 19684997.88 TG(18:2(9Z,12Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z)) 5288990.008 3394457.213 2345524.528 3622599.372 4364536.146 5759519.211 7369328.668 6750928.182 7384297.947 4054734.225 3712375.032 7768675.709 8045993.93 PE 64:0 2263841.987 1031912.447 1887046.66 2544265.89 9010801.316 5006194.432 16459602.98 13279406.7 18613460.46 7936393.02 2940638.54 29880418.29 25348633.06 Digeranyl 447111.7676 423272.2953 517213.5621 2137725.729 3432751.888 1916552.997 3571136.407 3786096.913 3940412.134 5321187.724 4495037.743 5219705.572 5576770.566 Phosphocitrate 6363079.699 5806420.065 6780466.628 7352247.589 9077481.468 8392715.591 7732069.938 10981505.5 8672122.119 7861435.176 6998361.728 7036452.009 6885428.976 S-(2-Benzothiazolyl)cysteine 11752591.94 19093809.24 14904211.83 13104118.1 10393961.37 14444957.1 10010054.96 7253537.465 8405309.396 12852144.66 13775515 6988841.083 7812721.946 SL 22:2;O/10:0 1247668.938 3133881.935 3592719.32 3401565.939 4024360.217 3991713.738 2327034.308 3020263.631 2608106.62 3319496.279 2292170.886 3163035.019 2295438.349 2',3'-Dialdehyde ATP 611166.4896 582360.4513 608589.9046 702176.0513 719800.766 701939.433 692871.5043 688674.8204 13033678.7 721321.9677 699486.5939 6158514.938 13858857.93 TG(18:0/22:4(7Z,10Z,13Z,16Z)/24:0) 4329960.601 3135804.216 2977247.484 5358901.141 5689538.354 4898661.753 5525506.244 6164752.729 6067486.384 5204062.864 5470386.002 6721072.29 6729471.44 Lipoyl-AMP 6491179.607 5034182.205 4781744.654 29760904.18 6628904.62 5641679.794 23055045.78 7328858.258 25793198.02 24468367.36 25728232.19 15078009.97 17121515.14 GDP-β-L-colitose 720119.8541 1135802.72 1020517.911 1266082.249 1261476.313 1304513.601 1276724.356 1376688.763 1376734.349 1426748.747 1439381.353 1451295.997 1542340.846 UDP-L-arabinose 4426043.107 3135804.216 2977247.484 5358901.141 5689538.354 4864928.774 5525506.244 6077131.703 6436426.863 5204062.864 5470386.002 6721072.29 6587587.142 I-Abopx 684884.7944 1203984.6 1247851.79 1233800.554 874283.0102 978876.7126 957942.3761 933199.9122 1604672.794 792220.0415 1160882.901 1330750.275 1374912.217 ADGGA 16:0_22:0_22:0 7099427.128 8353321.092 9849101.827 4236893.62 3708750.574 3730413.722 2120742.008 2328511.951 1311885.747 2674504.655 4226752.377 761877.8901 2377912.949 SM 48:7;2O(FA 18:1) 1937020.41 1737780.809 2352417.303 2223170.652 2608366.988 2478311.446 2428721.918 3054865.355 2492343.893 2445110.906 1673796.103 2181688.182 2339678.67 Inosine triphosphate 1601000.889 1155793.399 1228173.978 1817653.074 2141425.081 1913565.417 2761060.319 2245935.272 2360179.664 1782259.059 1980249.778 2480702.92 2446800.355 PE 65:0 6891724.243 8290417.832 8793563.576 3805879.955 4342307.898 1914282.203 6625024.568 6815863.086 7634006.17 5502202.532 5497434.548 5244123.944 6024708.722 NAGly 22:2/11:0 9225658.449 48074027.84 25803919.48 22090537.41 10375426.61 40108580.36 17227260.23 30098285.72 23092626.77 27352623.2 28751701.49 14222451.04 16051829.71 HBMP 62:1 9225658.449 48074027.84 25803919.48 22090537.41 10375426.61 40108580.36 17227260.23 30098285.72 23092626.77 27352623.2 28751701.49 14222451.04 16051829.71 Perfluorododecanoic acid 508168.3791 464813.6099 490897.0389 545553.818 572545.6708 570099.4126 563665.0108 581125.8464 555742.4374 588084.6603 561543.5253 1128128.707 853003.0079 2_3-cis-proanthocyanidin 5250350.892 11160932.74 9301197.53 9173848.521 2593355.633 12657617.66 12072738.94 11018852.65 8601427.588 2700800.322 16685261.28 6508735.88 8621085.415 Diadenosine heptaphosphate 20686208.18 33374255.8 29513433.6 17700213.37 15349135.59 24731143.99 19730548.26 24218969.12 22721751.78 24686405.72 23803056.37 16950544.57 23394071.83 SM 25:0;2O 1884560.924 2256162.443 2317013.516 2534326.625 2306677.942 2887561.698 2100147.314 3252842.712 2523837.14 2202498.682 1988132.993 2750630.341 2321633.925 Lintitript-CoA; (Acyl-CoA); [M+H]+; 9610076.038 17169736.92 8371233.832 13717650.16 10854278.11 15227697.2 16493644.59 8418063.143 14776275.35 16339448.83 16922573.96 8324777.474 12555572.23 FAHFA 38:7 3658495.277 4820166.238 4505865.291 4673665.956 5362740.271 5021705.017 4511502.469 6003970.87 5038945.157 5001971.135 4731459.217 4759066.432 4462116.9 PC 64:11 4360127.254 4820166.238 4411880.095 5933667.242 5362740.271 5021705.017 4511502.469 6003970.87 4941641.068 5001971.135 4731459.217 4759066.432 4462116.9 ADP Ribose 76925760.77 214802771.4 211930727.8 197550511.3 134875905.5 205888163.2 141665335.2 218020965.6 180861526.4 187282777.3 206060188.6 141077829.6 160968035.1 (+)-Aspidospermidine 5780132.446 6616738.723 7746320.68 7223775.101 7575842.707 7920274.353 6732763.919 8440438.53 7154506.659 8192555.844 7786797.664 6526427.88 6338470.999 HexCer-AP t65:2 12170387.87 13711248.13 17469540.56 23709594.85 20496614.38 20021940.66 17069609.27 21884218.19 21046634.3 14787542.03 13044654.29 12903926.71 16508985.13 Menaquinol-6 5780132.446 6616738.723 7607034.586 8711444.22 7504449.688 6963414.462 6732763.919 8356437.806 6718339.707 7687417.24 7324097.114 6526427.88 6536720.571 DGCC 21:2_44:11 6645611.959 18044300.83 9938399.602 4514122.107 3259766.972 5798820.451 2992597.433 3171781.382 2450483.975 4984257.833 7721107.882 978885.9522 2435854.702 DG(10:0/PGF1alpha/0:0) 5014853.368 3262459.714 2753344.83 4813039.862 5473190.614 5139286.511 5996242.612 5649703.847 6287513.206 5166997.133 5077126.833 6909635.298 6492673.288 PE 67:7 50513815.54 1950640.037 2365498.805 25391389.86 9987332.879 16341465.72 49294094.92 29628584.1 49713892.53 13458906.55 6070122.199 47081652.55 55033150.13 HexCer 20:3;2O/46:4;2O 5423392.55 18432137.66 19202931.78 4189874.002 2543614.769 35325539.29 4735610.097 12280280.83 718335.327 4927096.533 38385646.47 749954.602 773160.3126 Chlorophenol Red-beta-D-galactopyranoside 5145972.331 2635482.753 2836886.788 7826572.945 7961770.015 6915143.664 6201573.648 3057436.686 4886513.188 4503801.536 5567607.26 4415220.439 4283020.498 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol 580377.8162 549432.7552 671374.1382 684602.1504 711940.149 722228.2568 754813.7233 717032.0216 693029.7674 728131.3326 724312.4323 824968.9314 736028.3629 DG 18:2_16:4 4118388.743 2634728.673 2802251.805 4283460.919 4386812.313 4001276.842 5659590.933 4014188.905 4851070.255 4335701.25 4166855.279 5971855.793 5669314.603 SM 69:12;2O 29421151.63 121939455.4 75598246.11 62002213.04 31749601.56 91917366.86 38111455.45 74485182.78 65680111.36 71683566.23 90317728.57 32254636.38 51588798.21 Ipomoeaxanthin C 1716751.204 2261266.723 2701553.327 2482209.22 2193609.774 2473257.646 1610691.86 2855032.34 2288968.922 2301796.617 2372751.999 2280605.185 2178591.52 Ganglioside GD2 (d18:0/24:0) 1249225.723 1457680.79 2303406.447 2790592.495 1635972.93 2794739.38 1038489.282 2137319.699 1946296.917 2626964.534 3287993.964 681858.2517 763103.2679 DGCC 33:0_32:8 4128275.082 5803994.695 2168729.735 4010199.373 2074608.889 6482316.355 4994032.652 5670792.199 7361188.429 5849668.692 5312884.919 1939351.163 7355193.974 HexCer 37:3;2O/32:5 18268518.01 15046829.42 14844928.69 18181898.29 20620959.94 23004347.94 21950018.87 22044963.25 22276807.98 21910405.46 21567775.78 28039123.64 25067660.65 UDP-α-D-galactose 17567745.63 16936737.01 14699094.94 22476734.1 18759853.66 20392550.68 18016913.87 19670728.67 20079036.67 38748480.71 34877639.87 12346541.61 9842728.202 GDP-β-L-fucose 1958442.999 4477365.649 3598588.557 3797019.147 3198701.623 2650650.41 2148868.753 3552734.593 3397459.673 3411313.617 3879852.078 2078691.707 2368581.385 ADP-glucose 1443478.235 1719868.763 2169893.314 3256627.258 3324017.564 3237029.762 3488991.088 2721249.495 3316508.176 4231681.954 2901718.482 3670071.252 4849616.248 Indacaterol-8-O-glucuronide 8869482.088 15816786.12 12112248.8 10571784.13 7711553.556 19278989.92 11876682.74 10901614.81 10829535.4 15355172.29 14752085.97 6813072.054 8874507.256 PC 64:1 79180243.39 36420414.93 43226203.3 39816137.7 49182450.05 41337099.51 59101213.23 55780677.06 94207179.19 48226868.37 38294910.35 145387566.4 97075445.23 Ganglioside GT3 (d18:1/14:0) 4475960.731 3208828.896 2789675.077 4633066.341 3799473.269 4885943.389 5707797.529 3318843.58 5542046.02 5252839.201 5974096.914 6113882.346 6996664.945 HexCer-NS d69:5 39831247.88 21437981.67 21168538.1 23837502.86 38391740.17 21058429.27 24267183.33 21765825.4 21289227.84 36489565.05 37185197.45 26712019.76 23689005.56 SM 47:7;2O(FA 22:3) 11251267.7 12288562.49 17337803.09 19505890.7 15319391.68 15546773.85 19026922.26 23786985.48 21102536.99 25447089.55 12334779.18 14972325.89 21772747.78 NCGC00385678-01_C27H33NO14_4,8-Dimethoxyfuro[2,3-b]quinolin-7-yl 2-O-acetyl-6-deoxy-3-O-beta-D-glucopyranosyl-alpha-L-mannopyranoside 146756.939 524192.2014 477936.5881 1965663.792 1835985.272 2637337.619 1700824.103 2219843.907 1417248.729 2229920.411 2352786.409 1282255.651 1610867.07 UDP-α-D-glucuronate 6656332.307 13807452.77 11299979.49 18053899.11 13753817.54 6382653.793 5293118.251 16034362.05 14248449.58 14707975.47 14347143.87 6960018.36 7580019.858 PE 69:7 3316709.142 4003609.002 12604490.55 22265269.41 14151412.04 30852199.83 25991127.77 32263543.34 30151312.32 28329127.92 30486825.15 23473417.74 37882373.56 SM 70:7;2O 41859703.39 59656363.83 65323860.09 85028601.8 84727439.64 75970231.63 65155656.83 54477878.05 63176247.19 84651032.72 85976141.38 55609763.31 59648825.03 SHexCer d64:2 1396177.668 437489.6071 457194.0929 527499.2903 540739.5945 527321.5344 3891211.944 1484980.519 3665563.193 541882.3746 525478.8755 5111938.198 7237334.499 DG 40:10_40:11 8389666.093 5829485.483 7560272.726 2607887.598 4341389.816 1935776.494 3240615.769 1672080.022 2668447.046 2178385.03 6842207.55 1344690.703 1576658.734 DG 40:0_38:7 10774279.75 16880525.08 9480767.354 24398115.43 15357947.73 9357704.405 14756651.26 19993743.16 17557348.82 19341205.87 22067132.93 8887636.482 11795264.3 Nonadecane 465320.0835 625431.4963 433612.269 1242747.037 1944890.261 1475464.78 882599.4935 1066454.011 1738165.879 615919.2455 1284239.134 652237.1275 581352.5316 HexCer 26:3;3O/42:2;(2OH) 3056810.307 3585123.725 6232845.474 7131848.803 5868407.615 11140467 7434352.957 9286281.564 8329487.875 9797621.844 10834068.6 6151254.001 8267930.921 TG(20:3(5Z,8Z,11Z)/24:1(15Z)/24:1(15Z)) 210971324.7 226092774.5 230947407.6 234905696.4 233348445.9 215895801.9 187971305.8 188854545.2 175027050.8 244415937.5 268706424.6 162330166 172087118.2 HexCer-NS d70:3 210971324.7 226092774.5 230947407.6 236699214.1 236361862.6 215895801.9 187992500.6 186584729.9 175063462.8 243289282.1 267115637.9 162321021.4 170319626.8 Cholylglutamic acid 105109.9502 213222.8158 180926.652 3829749.443 564391.1646 354738.237 208651.9869 758554.6043 175179.1408 316227.9598 419129.1597 146065.4907 177480.1778 PMeOH 28:3 1716215.589 2353217.522 2334584.166 2042200.583 2013802.4 2131853.357 1784568.328 2294569.138 1941753.719 2502449.705 2169095.511 3613163.928 1686542.211 CE(12:0) 32486254.76 34497850.46 9284153.824 35096884.38 17452708.11 32173260.17 27738589.33 29634667.01 28354659.98 38448935.09 40059973.56 24717271.85 27086827.3 SL 17:3;O/18:5 3630329.197 1675464.993 2245847.13 2174281.421 3321616.447 2973500.664 8011809.662 3165478.269 3554888.593 3329598.45 2945529.241 8089266.271 8647660.072 UDP-D-galacturonic acid 105559.2119 150422.4585 123097.9587 160727.0882 137964.1589 162223.0367 130213.4709 155259.6311 145524.7379 158557.0689 158919.3548 129017.0056 129377.4524 (2R,14R)-5,8,11-Trihydroxy-2-[(9Z,11Z)-9,11-octadecadienoyloxy]-14-[(octanoyloxy)methyl]-5,11-dioxido-16-oxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphapentacos-1-yl (9Z,11Z)-9,11-octadecadienoate 5229225.327 6976856.141 6763615.958 7878078.803 6975958.784 6941604.777 5256487.438 8084763.345 7124070.771 7694265.941 7288275.92 11435789.07 5818930.247 FAHFA 39:3 105711.4433 346309.8027 609445.5293 483481.2038 162989.3086 237649.9305 160481.5463 397839.3101 174462.612 378937.5735 207103.1301 267417.3365 122018.6481 PE 70:9 64451170.19 56555718.17 64738580.34 80694012.25 79599920.56 79025790.28 89033029.66 87201122.9 91526507.56 92647488.37 50201107.55 87674505.75 98761338.72 CDP-glucose 7929120.732 23615027.6 31939750.85 30593687.55 25839077.9 40824679.63 30374958.7 40721695.5 38408927.32 51868637.41 62589089.66 37598634.93 47387499.64 (1S,3R,4R,5R)-1-[[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(Z)-3-imidazo[4,5-b]pyridin-1-yl-3-phenylprop-2-enoyl]oxycyclohexane-1-carboxylic acid 819800.3012 3101803.196 2054063.959 2152220.511 1063340.517 1703890.713 1009419.217 1600525.893 1364881.04 1581254.2 1728494.797 548756.3846 1004478.969 HBMP 66:3 16076701.84 7654020.159 11364726.97 21804630.28 21378464.29 21690741.98 24411891.61 12277777.29 24563935.7 16308324.31 22196089.27 23063718.9 25012584.68 Heptadecanoic acid 37002310.41 45180672.94 44005007.96 54803745.62 54657664.9 36301014.6 30291583.11 39610961.7 35203327.24 23881619.2 35335190.33 19966955.8 23011030.23 Hex2Cer 59:3;2O 8643477.213 11037748.31 7519100.511 1354673.542 1009935.704 890382.5609 982027.2092 982690.9988 985623.4347 965529.0389 928883.306 1129804.793 1097416.64 {2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid 23332623.76 25638886.06 23357603.55 21556132.44 20114827.27 17238418.27 12756312.01 15866955.61 11745659.36 22891033.64 10581319.12 11166890.18 10050274.39 Guanosine diphosphate mannose 22710887.64 24956079.74 22684187.41 20909828.92 19448175.73 16577234.59 12105367.81 14410244.66 11115951.23 22212651.2 9889811.037 10456933.03 9083701.367 HexCer-NS d71:5 16307735.16 15457737.36 10214321.79 14033836.89 23346357.77 10267225.82 17148003.2 11222029.43 8533434.357 8889754.597 9074741.595 8143162.228 17203751.94 GDP-α-D-mannose 5366719.74 13004428.72 10330149.08 9762913.634 7270341.295 8623291.727 7758717.454 10648255.23 10156671.97 10018765.37 10206511.31 6594959.276 7544177.657 PC 66:0 654650.2004 317289.0688 299294.8207 1044534.437 554129.5448 846453.6694 4057503.873 535935.4057 460841.8729 465024.0995 788639.5884 675016.6098 587120.9264 UDP-N-acetylglucosamine 35656872.54 68077412.58 58675725.36 85279849.72 66637343.46 41241292.78 39210640.01 77405745.47 71405848.33 64470386.92 60104187.83 36668993.66 38763137.31 Malyngamide J 1651587.455 973796.1354 1024275.325 1620658.422 1712084.977 1992924.184 4437945.436 1896854.547 2371638.489 2087311.283 1353291.815 4497778.204 4505306.012 Cer(d16:1/23:0) 153840.1524 1523943.57 171997.783 190091.9017 163975.4761 191083.6295 165432.5213 192925.8649 885529.5665 180451.1244 191113.0006 142566.7147 158395.6736 Hex2Cer 60:6;2O 6682827.51 6953913.644 8257931.087 2492359.281 2173675.438 2328156.932 2073729.634 1543875.309 1352220.979 1351455.976 4679443.978 1793426.522 1294744.726 quercetin-3-O-pentosyl(1-2)acetylpentoside 1961135.581 1770327.16 1796254.062 666746.66 691019.466 632935.786 674737.9693 674907.2167 652725.6696 647855.6653 1606632.566 718083.9596 725720.3768 PG 24:1 1219871.332 1242697.386 954290.1978 1212644.55 1299963.276 1298572.746 937987.1447 1221341.655 1075649.111 751535.0746 1555679.082 791636.1679 1237364.875 CE(15:1) 20052825.35 8760044.507 26508352.08 33832569.96 10504052.93 31543343.71 20667045.89 22830620.54 18201265.28 10062352.88 28860155.5 4759756.284 8063945.044 UDP-alpha-D-sulfoquinovopyranose 915073.5107 1025872.999 1044303.818 3282912.998 2930265.695 2390314.457 1705967.659 1460608.786 2763197.627 1285695.327 2358012.848 1092733.417 1720520.985 N-Propionylprocainamide 235960.6747 548618.8873 1026318.293 281404.2896 255854.5627 275615.576 257868.2542 272943.5485 263558.9724 3313966.05 292630.9147 1384226.761 3008876.944 Uridine diphosphate glucose 1787414.997 2115754.545 1553470.115 11258933.73 20540224.18 12836116.94 25243147.47 24126632.45 26306372.65 15309159.34 12267000.75 10258483.75 8487764.161 Cyanidin 3-glucogalactoside 266700.1246 356291.4915 341571.6515 510651.5556 481944.4867 538717.2428 479934.1725 515302.912 464172.1893 540985.11 488188.9764 518288.5774 526253.1553 DG(16:1n7/0:0/18:2n6) 19222973.94 21596523.08 21132310 27148732.13 24920665 19368790.47 15377232.77 20549237.62 18143293.44 16888014.5 17910972.59 40085138.41 12909952.04 HexCer 20:3;2O/50:5;2O 964069.532 874279.3255 859863.1273 993197.5403 1592063.742 981777.1174 10470422.49 11383363.35 16017276.86 1023127.656 965721.176 40433422.98 40064075.09 SM 47:7;2O(FA 24:1) 60156515.67 79234920.47 57260522.12 87101092.34 76522909.49 54266545.19 42674405.33 54737720.52 49643636.81 49609249.31 52465286.52 29481408.6 31146234.59 SM 28:5;2O 127298.2564 718063.2833 1026318.293 151329.4139 132132.3311 199561.1467 132352.4174 151973.0279 692017.759 658138.4412 196710.7078 765362.1123 3440191.996 DGCC 27:0_42:12 301415.2402 317969.7057 354605.5439 5222438.073 3958021.723 6048827.72 4576774.232 7233981.036 7078903.794 6295335.82 4227039.313 6529357.755 7502527.848 Endotoxin inhibitor 6675493.452 2394435.16 2443819.002 2723894.293 4547866.169 5133620.084 7809733.963 3240984.128 3976949.125 7933040.769 2624276.022 7849663.157 7390942.984 SM 73:14;2O 5054805.942 6541309.43 6746852.372 19523854.1 4129404.194 10432207.82 24381316.98 11714982.27 25881364.64 12055139.96 11181459.43 26728396.78 24827522.51 Sagecoumarin 8100580.998 10221069.46 9700798.418 5877143.221 9975324.718 5825735.035 4004863.01 7922450.099 6180130.197 4902044.326 4844476.709 1351217.684 1219663.191 Glutathione disulfide 73012273.08 202174005.6 131189629.6 141790021.2 71656772.63 110472277 65882672.42 98914482.98 93992038.05 129924403.5 146901359.1 45342033.43 48779190.5 Leuprorelin 6274827.335 8299243.024 7399142.706 8146261.591 6849778.065 7223569.927 6395200.959 8001375.533 6326515.273 7924345.648 8442862.11 13239481.25 12270596.99 C16-Ceramide 413654.3649 887064.6635 539130.7919 624116.5086 440906.8137 513796.7958 444824.6017 518750.3056 988782.2162 3029881.046 1134582.302 1145852.545 3154824.284 alpha-Neoendorphin 6274827.335 8299243.024 8331642.004 8146261.591 6849778.065 7629846.665 6395200.959 8001375.533 6326515.273 7924345.648 8442862.11 13239481.25 3651164.324 CMP-N-acetyl-β-neuraminate 5802106.759 11414822.06 9178397.002 12118415.15 10019248.24 11005356.29 8910797.908 11293077.57 11294987.44 10867253.92 11707092.05 6348133.433 6992129.444 Quadranguloside 5598515.059 3626014.24 4175071.137 4775557.369 7374751.56 7312532.732 6157700.71 7825240.821 5251217.17 7368536.941 7684041.224 11104639.4 11698515.23 SHexCer d66:0 1448113.525 4389233.769 3657051.38 9791072.512 6891009.515 1952115.994 1619504.975 7854420.974 9189421.872 3547184.855 6022075.304 1807486.166 3944098.153 GDP-mannuronate 2362333.275 1791159.848 3125810.953 6753163.276 3165994.042 3316256.309 461764.8846 3561753.247 1757699.229 3266485.86 2941470.31 534183.7299 520088.2244 Deoxycholyltyrosine 340872.7566 520515.7216 747377.7071 624116.5086 442957.8217 398158.8936 372896.08 434867.9339 380741.7214 2124314.187 747423.3862 743558.0448 1860997.356 Sphingosine 10847289.43 7678874.969 20386689.06 4683285.199 3070862.061 5466027.365 15991163.53 4544159.548 14216899.32 19999384.1 19478683.93 965622.9897 1753146.625 5-Iodo-2'-deoxyuridine triphosphate 5509016.667 7383926.233 8045025.243 8183389.808 7374751.56 7312532.732 5805492.413 7825240.821 6890781.817 7368536.941 7684041.224 11104639.4 11698515.23 DGCC 12:0_12:0 6774753.511 5402651.454 6159359.966 3367768.829 1844954.959 3481900.614 2446720.582 1188962.034 643040.8411 2541274.269 5756810.26 1696307.322 625334.0438 LDGCC 25:0 1639717.877 1035976.836 1387085.958 1832460.091 1882393.85 1621065.039 2132559.257 2002846.418 2034583.36 1568423.587 1281899.621 2634653.536 2081516.285 Heptacarboxyporphyrin 162624.2542 1992907.206 1339253.844 1415000.436 176335.1351 1227196.801 177902.0052 1196040.065 914116.7788 418043.3787 1142089.897 203164.9042 170334.7547 CL(i-13:0/i-13:0/i-13:0/14:0) 9113226.023 11276275.87 15165713.05 5266713.881 3079380.741 6502362.023 2607176.361 1778976.728 3138211.261 4083099.483 7927843.878 2106887.114 1175852.809 DG(18:1n7/0:0/18:4n3) 37134370.99 17290149.26 22327553.99 22428817.91 41091394.74 23661297.74 34129170.04 25504133.67 31976075.81 27625661.74 22315377.38 102353451.6 42372540.54 DGCC 35:0_34:3 37518428.86 64263833.58 55627705.67 48845417.36 40022141.73 66404720.41 55515604.2 55530185.29 53799093.42 62625211.55 60085693.62 36673352.18 44311026.03 SM 47:7;2O(FA 26:5) 6466132.099 4380812.658 2701490.508 1547931.926 4003727.695 2088951.589 1819955.819 2586047.449 1321838.894 3275622.649 1551210.902 2831261.427 4425785.401 Hex2Cer 62:6;2O 4008986.908 17114472.42 11168729.61 5763596.375 4312075.35 10874485.16 5400633.158 8056388.397 8984765.449 6685260.686 6404340.561 4551767.103 7207108.435 Suffruticoside E 63482.57617 78506.19184 66658.1006 70632.98438 64022.22014 66009.8899 64059.62581 64569.58493 68552.64147 84720.10881 94148.76378 54779.82404 64288.03223 Tetrandrine 6514459.094 2866469.324 3013819.447 3111907.947 4038269.155 5839620.27 7749463.925 7759259.837 4068600.584 2927680.543 3154326.917 6172205.461 6445674.757 Ganglioside GT3 (d18:1/24:0) 416950.6861 505941.992 1304643.326 33505852.32 38477711.14 28847618.7 30533986.83 42246628.01 45715040.83 40914608.33 40687617.75 49031608.71 51114036.72 Cer(d17:1/PGJ2) 5798867.16 5892964.851 6336375.366 6356812.435 1974388.746 4683065.21 3034616.413 3375873.79 2125389.996 4596209.004 5988957.586 740129.4162 805134.599 SL 23:3;O/13:1 5660885.942 8364012.583 12670277.82 6356812.435 930084.2348 4683065.21 3034616.413 3375873.79 2125389.996 4021410.825 5988957.586 752028.4133 818078.6788 Cer(d18:0/22:0) 236454.763 460844.4766 1228335.589 950322.9047 688233.2157 1080480.389 682515.7226 701230.4738 862628.0799 716620.4243 742171.4477 230645.3876 243456.6715 SM 47:7;2O(FA 26:1) 11705459.84 14820213.52 12911029.72 27051980.14 28413635.03 43783211.64 19318668.17 24664571.96 44513536.71 40286710.36 49863458.77 58799399.16 22291161.07 dTDP-alpha-D-glucose 1367483.03 1344987.012 1347326.439 1284454.829 1360976.306 1348647.255 1338340.767 1368325.015 1342258.991 1406493.373 1448527.914 1431560.058 1406545.891 PS 25:6 8738446.715 9548305.606 8032901.461 7826954.144 6565954.9 7612367.52 11608738.54 6933022.246 12449937.9 5702162.069 7586788.071 9154544.25 10050702.41 LeukotrieneC4 10932404.44 3576102.848 3581786.727 4943760.121 13678979.02 5085823.102 12354557.62 6457522.757 5274752.674 6319507.571 5393321.383 11323765.17 11737092.83 DG 42:11_42:12 3531775.432 851632.1539 833380.5168 930788.5506 954687.0933 951539.7224 23930714.39 23729191.53 24888961.94 991616.7213 969540.3229 27263619.58 25818867.41 PC 70:8 2666159.973 9797190.072 4233686.65 14571330.66 2397299.132 12236007.78 8861379.886 13006917.71 12685496.02 5449830.669 10947892.3 1093127.526 1596270.515 AHexCer (O-26:6)17:1;2O/30:6;O 33373619.84 8276807.531 6681705.887 3040790.774 5108947.946 3832476.067 2723818.551 3520625.301 15578340.5 2119050.534 5442322.214 1644374.907 3814894.601 Pipethiadene 1409124.077 3025437.523 2464338.543 2626602.329 1913205.014 2144569.651 1719893.055 2370060.171 2262554.567 2107181.86 2255673.054 1452454.613 1288450.336 FAHFA 41:5 313006.1956 1168678.554 1636971.916 3453221.902 1509990.927 735685.4986 741560.484 3268522.417 1310927.223 2009251.03 2689984.779 1252274.521 289572.8618 FT-PFCA; C13H3F23O2 687230.919 468437.1398 417816.7113 842287.2585 698346.2856 710128.6658 880207.8303 989244.6474 930086.6649 800394.7741 853103.9495 2934586.063 1247649.56 PC 71:12 9987852.945 15474903.57 11076298.48 8626292.588 8428717.73 3997120.19 8214696.863 9808690.538 12448189.31 10382596.62 11661338.8 9642487.666 10992695.77 Ganglioside GT3 (d18:0/22:0) 751002.8643 775499.0267 721748.0894 695678.9706 1149622.911 691529.7399 1032901.799 1130860.203 1062748.514 1032496.192 640428.1169 779821.002 979302.1327 PE 74:11 27253694.66 22132947.23 21868784.12 21600841.12 11656466.26 19492651.71 28504481.72 24023393.06 22808209.81 27757535.83 24836077.62 30297082.73 29682817.36 DG 42:0_40:5 2091896.79 13159642.36 7415897.209 9468642.177 3658628.144 10354596.76 6385885.143 6478245.93 6842878.427 7494846.202 5123343.963 2441366.407 2414123.818 CDP-DG(i-24:0/i-24:0) 36296724.02 359565.2077 54034355.03 427844.8444 14237497.95 424435.1326 13873770.28 18285413.62 15128685.18 1009420.493 429856.267 15007777.15 14338969.88 CMP-N-glycoloyl-β-neuraminate 1581259.596 3659739.973 2773827.01 3479696.424 2700341.824 3335718.344 2660296.591 3815434.507 3431362.045 2855372.734 2589127.113 2922702.951 2869613.87 DG 42:8_42:9 1194507.742 1811354.36 2114925.268 1978868.868 2216312.467 3930312.275 3157276.185 2220292.458 4702254.457 2305882.435 4078782.98 1930805.367 2159119.58 HexCer 20:3;2O/53:5;2O 30018411.65 23736033.17 27184900.04 24849502.59 44206568.97 24120009.78 27723645.96 24767725.61 23133088.69 21040698.97 22606631.21 29448572.35 28627850.44 Actinorhodine 186820.2227 305656.9772 422836.8461 212973.6206 321990.6318 225459.9103 129148.1768 89046.11419 183226.7726 320906.5893 330955.5833 102263.1944 119320.413 Dihydrohesperetin-7-O-neohesperidoside 16222005.62 40844294.64 25688602.01 22560823.09 14141922.32 38384414.87 21830579.33 27138170.76 20415438.13 32335737.86 36361255.76 12570275.41 15790905.23 1-Palmitoyl-2-linoleoyl-3-acetyl-rac-glycerol 409624.6273 691461.9967 1328123.066 2351013.544 3732304.535 2168804.139 2319103.209 2792608.778 2464225.716 3174760.359 2431432.597 1559659.557 2592367.313 HexCer 38:3;2O/37:0 6006415.014 8797191.117 13633590.71 13576791.09 10896134.05 14735671.71 11080292.15 11712513.81 10246058.66 9911728.693 14763169.49 4720437.015 7453603.278 DGCC 10:0_16:4 1451264.682 597333.8726 775636.6792 813348.2773 750715.1139 587442.9626 771311.702 1214451.765 929909.3494 645942.9991 788108.8819 894818.8799 468361.3398 HexCer 37:3;2O/40:10 40900386.31 57951625.94 62721378.58 76122291.36 79276491.47 74331207.78 69633988.65 72322098.41 61339101.62 83885613.79 82263838.76 55730282.93 59464555.62 ADPribose2'-phosphate 5310182.295 10650876.38 8035684.227 12115457.74 7546227.397 9792456.337 6901488.149 13954307.32 9728015.551 10579206.26 13796587.74 6712202.204 7171941.592 Hex2Cer 65:9;2O 1662993.549 3122879.654 945084.2469 694364.0632 5656092.794 1105740.288 5877573.876 3239601.347 5152502.362 2249859.719 4112135.034 4944034.385 5277274.756 TAG 37:6 3189457.645 5633226.484 6799939.452 5351739.068 4603257.036 1556003.955 1861471.859 1976489.925 873135.2976 2248477.946 4904457.87 869071.9779 905414.3983 DGCC 38:8_36:10 700182.0422 638176.2581 624499.2716 686989.7115 715401.1671 713042.6637 676869.5779 815332.5212 1215602.375 956479.1319 726531.5342 1919207.568 843952.0912 SM 48:7;2O(FA 28:6) 685561.8014 1279580.011 3730262.737 4057078.365 2201074.732 5304326.578 2983354.547 6485066.993 4819932.486 7075569.306 7039067.474 3306944.796 4908295.42 PE 75:6 13823221.58 17003285.86 15669917.52 16300296.23 4778781.141 9095398.698 9638764.485 9858743.266 8642782.973 15516389.22 17001655 4284893.904 6356367.582 DGCC 37:0_36:9 943957.967 3913228.967 5257404.494 2704265.841 2812282.928 5419202.896 7016191.678 5598034.578 4442110.555 3996722.295 3291421.966 3522235.846 4927068.129 3,4-Dimethyl-5-pentyl-2-furannonanoic acid 41460918.27 48729773.94 45111571.27 62298450.08 53738545.23 33756917.24 34076469.55 41215552.58 37546253.32 11727067.23 36686159.68 21820674.32 22675594.68 CE 18:4 205747.5095 434207.6158 568384.4547 951237.1475 330471.0119 981684.0863 221251.271 620532.9812 377625.7829 673244.0585 578189.2196 190670.29 211840.1135 Cefoperazone 44221118.08 121011178.1 81257972.14 62172955.85 40789793.24 97956788.76 61805972.46 70415643.39 60294954.34 90048422.95 97629662.38 34477745.95 47853183.79 ZORUBICIN 8017274.386 9311163.812 10707536.25 12646310.22 10723134.54 12902795.03 9097124.795 11699243.35 10298821.91 9886695.64 12916528.27 6464819.66 8183295.87 PE 76:8 7373716.073 20412286.87 21964719.57 6949766.766 9553900.789 10189461.79 8959853.487 9456328.486 9424880.17 9876592.493 9473076.55 6929836.615 19079121.16 6,6',11,11'-Tetrahydroxy-3,3,3',3',12,12'-hexamethyl-1,2,3,3',12,12'-hexahydro-7H,7'H-1,5'-bipyrano[2,3-c]acridine-7,7'-dione 7801958.107 3558911.088 9340448.823 12646310.22 10723134.54 12109830.23 9556704.965 11086892.45 10298821.91 5440834.62 11220238.12 5459858.893 7245354.043 Irgafos 168 2510119.377 5442775.253 12465327.15 3988177.372 8359812.777 9499756.593 5037085.691 9663655.33 7199356.217 7960358.798 8667397.115 9905526.721 5253810.978 HexCer 20:3;2O/55:4;2O 446594.4272 485296.3532 459251.0298 442851.5679 454705.5624 1941718.919 776759.1205 2400533.44 2246169.823 985423.5316 6717630.907 437224.0102 497762.0306 6-O-[(11E)-3-Hydroxy-2-tetradecyl-11-octadecenoyl]-alpha-L-glucopyranosyl 6-O-[(11E)-3-hydroxy-2-tetradecyl-11-octadecenoyl]-alpha-D-glucopyranoside 655514.2181 3191298.068 3270162.052 6337976.954 4337638.29 1893958.257 1107624.454 7152261.052 6687621.376 2951168.903 3839034.144 987675.8862 3533583.965 ST 24:1;O4/18:4 2416331.981 27697948.94 12153158.48 8273375.966 1621463.77 20300080.73 5557359.344 12678129.35 9383587.921 14083474.37 16176497.14 2164060.412 5476836.12 DGCC 37:0_36:1 5989823.691 24315699.97 14280866.48 11010590.47 5517080.712 23963636.03 11633619.76 13659029.53 10380313.41 17718451.89 22677862.72 5401933.298 7180962.768 L-alpha-Phosphatidyl-L-glycerol 737185.7243 1185356.584 2990673.598 3971799.424 3655365.342 1397716.864 2506485.93 2597037.919 2931095.309 3682076.975 2695842.508 2984440.29 2947444.648 Cer(d18:0/24:0) 8169992.627 2577763.002 2969331.306 10720617.28 14312352.42 15755407.26 11673004.27 6338206.919 12485112.03 16966757.65 13573813.48 25621475.86 21994260.69 Ganglioside GD1a (d18:1/25:0 4214822.789 3394571.191 3437406.64 9988574.595 15153035.87 12981159.52 11245375.72 25581376.32 10776352.35 14858665.92 12788345.34 7325122.266 8616187.436 S-Formylglutathione 265255.6521 623008.9577 510050.2067 499607.6143 398590.0941 483487.3839 352058.7704 346956.1212 314067.1427 345590.2772 324963.9582 220733.376 243296.9614 DGCC 38:10_38:10 24102636.63 20246796.96 21789143.22 30347157.31 72056885.73 32578519.29 74417100.58 32752502.76 35676832.12 35827123.87 32732667.21 57562020.88 85615577.11 SM(d18:1/15:0) 532371.6786 503986.2483 615841.2106 1616774.507 3972160.984 1939131.111 2160482.116 4444370.404 3749342.89 4011938.721 4606327.862 3727169.026 4908668.548 ADP-ribose 1,2 cyclic phosphate 1444511.806 1089929.028 1249872.766 984445.9788 836873.7821 2947080.491 1048228.139 965509.5953 949935.3158 2211492.322 1019177.172 807903.8397 874889.5894 Cholesteryl oleyl ether 8485439.427 9627715.293 8175242.789 10720617.28 15356510.9 15755407.26 11673004.27 12972314.73 12485112.03 16966757.65 13573813.48 25621475.86 25904492.52 PC 76:21 33101631.56 474588.5116 495963.9282 572230.972 586594.0475 552813.74 564648.3295 12214633.09 12179105.04 587833.7348 570039.227 13942758.13 10197880.54 PE 78:12 2091551.819 5266577.945 6651569.354 13704039.3 8464091.251 3047605.524 2243499.176 11911436.39 14377463.62 4883934.008 5315615.404 3127467.282 4520598.689 ADP ribose 1'',2''-cyclic phosphate 9406127.989 26564211.04 18588899.6 3258268.344 1315836.471 2872677.088 1244756.764 2412435.015 2344623.133 1461847.504 1412994.651 1405315.758 1540482.299 Ganglioside GM3 (d18:1/25:0) 576833.5147 527620.5276 557228.4226 619270.5788 649909.6465 647132.8431 639829.0069 659649.1994 630835.9132 667548.3078 637420.8602 969795.2669 660432.6502 D-Ribulose 1,5-bisphosphate 162757175 83918558.96 97015780.28 105390501 154717545.7 94616879.34 134897579.6 118105488.6 132758451.2 113604852.8 99979185.03 177704865.5 149476987.5 N-Myristoyl Alanine 27540827.06 21795171.32 23567733.81 27451354.82 25597157.82 26351684.79 29319994.2 29710428.07 30143102.91 29831154.91 28039031.89 34809950.86 34803245.5 DG 44:7_44:8 36885230.82 52056628.56 49794387.39 41232052.54 35446205.36 59265676.01 51458722.4 50078400.61 44574554.23 57593703.76 34580433.41 33828356.87 42141353.08 D-Fructose 2,6-bisphosphate 27540827.06 21795171.32 23567733.81 27451354.82 25597157.82 26351684.79 29319994.2 29710428.07 30143102.91 29831154.91 28039031.89 34809950.86 34803245.5 PE-Cer 19:3;2O/16:4 23360164.45 45568506.25 74128779.45 59829058.63 106868845.1 56783771.5 55587696.23 63796706.81 47113206.06 57847532.01 73139439.51 74435320.6 35412987.8 NAD 685515.8266 1137043.636 987760.3322 996573.2573 790607.2222 972936.8292 787827.2972 969030.2659 998771.9269 1075045.825 1155219.802 812070.7809 974174.665 Nicotinamide adenine dinucleotide (NAD+) 100546054.1 113817783.7 111336647.9 74378841.46 41817044.29 68795765.08 52655020.85 62292389.95 110498511.8 58142853.78 58898763.59 28074777.29 44392169.1 NADH 461684.1141 776981.463 653025.3538 666178.0507 535191.7512 664875.5354 595577.603 653948.6982 687213.8746 662047.2234 751008.2692 591870.7373 657625.3145 Gallagic acid 1699599.723 944526.3584 1616373.027 1131782.531 745052.7589 1509973.561 2480142.208 1443961.459 1402308.954 1131553.969 1033468.05 694123.5534 1631964.637 PI-Cer 25:2;3O 78276.40344 151381.9898 137287.2556 1093109.204 1593833.561 2677511.633 2015185.751 1402997.808 1982025.25 2424103.807 1287554.497 1045051.44 971564.2762 Hex3Cer 57:6;2O 27556028.46 52617776.29 38536966.31 43527513.42 30966360.79 58375221.64 38243707.76 55657634.39 51230049.91 32317110.32 55522426.07 34420352.43 43953617.82 MMV688955 826975.5709 1654905.035 1411353.556 4037929.414 3235607.7 3626380.071 3424226.305 3520686.808 3491370.319 6199679.28 3985441.88 3123115.052 2808953.321 DHBOA hexose 4496278.853 9992751.951 7854044.259 9456662.907 5694737.319 7902586.705 4877588.474 8147509.749 5651737.872 7132338.079 3746708.287 2705989.226 3428634.226 Adenosine tetraphosphate 444260.5341 413990.2779 423627.664 499165.1785 511694.2926 482227.2521 492550.732 475382.3681 769225.1912 512775.6893 482692.9834 633413.7275 1267903.025 SL 26:3;O/12:0;O 3279127.899 7119856.023 3494377.663 2208694.198 2124664.048 2553583.422 2203400.1 3568188.068 3003831.946 3680622.511 3094246.827 3506025.263 4155074.036 2'-Deoxy-5'-O-thiophosphonouridine 2169680.51 22435260.75 8084981.995 21546383.15 23608057.13 25355641.68 28028339.63 23612459.39 25614756.26 10834032.42 24689007.73 31221710.07 5523307.544 Hex2Cer 70:13;2O 788612.2243 718775.3585 703371.0235 785583.1547 805753.4636 803097.0906 798181.3611 749684.5811 1299055.974 836921.9752 818289.5514 11554494.09 15318318.32 4-Hydroxyestrone-2-S-glutathione 645151.3434 1131597.485 847929.8959 1332067.238 1368101.985 1391979.844 1112214.125 1229004.057 1204534.076 1912545.874 1854163.361 981978.4179 684375.3421 Phosphatidylinositol-3,4,5-trisphosphate 34270130.36 42286459.88 37710414.07 52088905.14 46679506.9 31850589.92 26509149.75 33011869.18 29189711.11 29856348.78 12708027.63 19130338.39 14024521.89 PE 80:6 6290880.208 17407620.77 12733808.93 13379112.77 8066258.524 17475038.48 9259765.337 6928760.71 11036860.73 13832712.06 17767008.27 4962106.368 6955167.235 CL(i-13:0/i-21:0/i-17:0/a-13:0) 2854058.776 5016010.177 2107655.464 4163325.014 2781585.419 3421318.694 2777020.453 3253183.394 4551623.145 3037193.84 5377558.159 1812565.741 2662510.415 Ceragenin CSA-13 2889236.691 8086531.518 6401309.627 4187691.336 4372029.324 5150642.585 3340958.422 6049386.678 3970411.081 5396963.79 11723297.21 1884117.293 2208946.255 DGCC 40:11_40:11 111063907.3 36841579.68 45337961.12 41477123.75 87629803.21 46125280.62 113852030.1 107494779.6 127434380.2 73390358.23 51485240.07 235753302.5 188875321.9 PE 82:16 34356470.7 95700737.82 51702714.07 71605980.16 69296075.93 63434672.38 55546124.49 60534920.02 57874470.31 77163565.16 73487414.27 51061416.13 51805133.74 DG(15:0/0:0/20:3n6) 319238.9841 602166.8084 314531.0696 708844.5211 728020.0045 740726.3372 591852.1723 654000.6145 417578.0681 1017739.665 986672.0706 522548.7134 216927.2708 Hex3Cer 59:7;2O 1014582.959 2278092.405 1547699.277 1972924.537 5206782.655 2889888.783 3868033.152 4743643.522 5517228.27 3200895.155 1913095.313 745893.5611 1174235.988 Amiodarone HCl 4671184.545 16822024.58 14243716.82 4598742.055 888314.6802 4425658.581 901620.6826 2307545.552 3000333.65 2523370.952 2446647.313 962562.4745 1053171.929 1-Hydroxy-1-phenyl-3-hexadecanone 11474304.44 10904896.16 8858274.612 16304799.56 17344295.6 8105483.4 12752050.46 16204838.09 17907060 15934942.19 7464076.026 9479607.036 11273260.68 thymidine 3'-monophosphate 94979041.46 95700737.82 101769926.1 105405935.5 100338088.8 100318005.7 84902396.18 84113330.01 79167186.42 109159662.7 116029394.9 73097485.48 78125893.02 Inosine 2',3'-cyclic phosphate 94979041.46 95700737.82 101769926.1 105405935.5 100338088.8 100318005.7 84902396.18 83956617.44 79167186.42 109159662.7 116029394.9 73097485.48 78125893.02 Ganglioside GT2 (d18:1/24:0) 16646673.72 16720015.24 16336613.33 18054967.55 17957693.69 15043840.82 15735013.24 14245330.21 13399691.43 6074482.302 20891897.35 12341873.9 12725139.88 1_3-alpha-D-Mannosyl-1_2-alpha-D-mannosyl-1_2-alpha-D-mannosyl-D-mannose 1712846.075 7156905.918 7719092.935 11722085.35 5733079.922 8415987.497 4840337.152 17148319.66 11195485.45 3395655.219 3527084.563 10405757.44 14012104.56 Tetraglucoside 5626526.607 20863784.64 16486915.92 23924712.26 13426629.08 24060349.27 9418797.103 30378954.82 23316770.44 9440967.97 8453510.331 19779635.27 29852254.74 Adenosine 5'-pentaphosphate 734468.4982 684424.5535 715250.9633 825238.9553 845952.5657 826335.8141 814303.6995 1301392.658 2367963.921 847740.3721 822078.1453 1941790.633 2801446.226 LysoPC(28:0/0:0) 38341918.94 33749105.54 42471377.38 54006129.07 44987009.39 35200375.93 31963276.27 33586205.67 34710348.64 24526125.02 31768321.52 19260084.54 22314031.35 dIMP 13219277.96 13689078.54 12126080.24 13210792.57 10879734.18 10509400.22 7697763.432 8107923.584 6255323.44 12608458.59 14660978.02 5883358.943 6216697.497 Ganglioside GT2 (d18:0/20:0) 725406.1967 1028931.111 1666010.475 5892622.161 4908858.576 5633131.116 4581101.145 7908153.122 6908330.242 4777835.838 5083660.199 3769093.322 4388218.394 Flavone base + 3O, 2MeO, O-guaiacylglyceryl-Hex 743211.4451 3200383.591 2918247.805 2729206.984 1471102.97 2851634.079 971251.2857 2882802.717 2256978.309 1108918.831 1133412.228 2038376.255 2933465.637 O-Galactosyl-5-hydroxylysine 221074.0766 281477.3912 287916.2821 277892.0173 239712.8728 279341.8068 241842.9016 282034.9384 246931.2165 859890.7091 297553.3707 664278.3736 1268930.347 PE 84:19 1690169.561 23277369.75 8071241.734 13467457.86 1647271.874 24540480.8 11162357.33 17695377.03 8223776.33 17946600.52 22088126.03 3281160.573 3799399.467 PE(18:0/14:0) 385516.4333 364961.1516 445960.8137 2884717.627 4089078.865 4542614.953 4533856.931 6857535.302 5980413.37 7070670.108 6774793.398 8831029.346 10317542.89 Hex2Cer 73:13;2O 9764134.281 8317581.533 8310030.754 25696971.06 20431337.5 19847421.97 23998789.79 21742410.39 22225535.55 24010902.56 23692023.45 36464185.29 25092487.57 (7Z,19R,31R,42Z)-31-[(9Z)-9-Hexadecenoyloxy]-22,25,28-trihydroxy-22,28-dioxido-16,34-dioxo-17,21,23,27,29,33-hexaoxa-22lambda~5~,28lambda~5~-diphosphanonatetraconta-7,42-dien-19-yl (9Z,12Z)-9,12-nonadecadienoate 7106579.496 19446322 12326261.98 11535329.35 6964247.213 17261120.81 11646427.23 13882286.99 11419112.24 15243615.39 16932723.57 7743305.656 11212024.67 TG(14:0/8:0/i-13:0) 9764134.281 8317581.533 7744194.128 12998138.37 15236614.11 19847421.97 39731122.53 16695808.26 24773790.88 19302919.15 23692023.45 36464185.29 26074876.55 TG(15:0/10:0/10:0) 15056305.86 22646940.17 21540966.73 24687319.6 20303298.3 16757440.42 12007213.06 20518021.44 17840995.37 13883514.19 14175121.44 12275204.34 11795060.51 Niclosamide 1852907.867 786929.4262 773157.7494 5515679.328 3280604.997 4794661.274 4414763.862 4390021.064 4702109.056 2710109.289 2346446.339 2759990.591 4146365.379 Hex3Cer 61:8;2O 18486426.91 5703219.196 6268771.857 6911515.012 20633071.16 5760621.106 20049522.09 7658605.735 17897518.28 11338723.9 9351266.793 24681872.6 20384924.9 KO2750000 5777314.079 15545721.98 12721061.29 17266434.66 8024839.55 13310199.19 4756254.498 7379575.998 9921917.024 8165708.536 11330914.44 2062293.947 3100526.055 Cer-EOS d93:4 366828.5536 520317.1863 469809.4351 702367.7692 662883.0761 740970.2837 660118.0205 708765.4052 638438.445 744089.5865 671471.9627 712871.9924 723826.7477 PC 30:4 3791897.362 7222601.13 8643065.214 3353291.816 2498860.52 2546259.328 1554225.067 2120282.408 1277417.213 3155664.254 4952745.362 811005.9039 2211993.326 DGCC 15:0_15:1 1576899.232 5356447.424 3461949.615 3609600.923 1785213.221 3835980.529 1575980.687 1983349.803 2301968.567 2456731.964 3405997.872 483017.7054 892095.1715 ADP-ribose 2'-phosphat 34038914.11 34693501.87 29923494.9 11271471.87 14514326.31 10340395.67 11604546.91 8520125.663 12662892.57 7298153.703 5252481.116 9015281.787 9532344.516 GDP-guluronate 16028050.9 19660048.79 18385429.47 9237646.623 10058597.19 10550841.58 11247409.52 12453365.29 12317675.02 8305298.159 6562988.944 8061995.165 9968049.105 Guanosine 3'-diphosphate 5'-triphosphate 484954.5319 451911.5384 472265.5865 544888.4087 558565.1821 526398.9784 537668.0829 534411.4575 540024.1996 559745.6342 526907.3705 1548655.669 1181441.657 PI 25:6 22130.71082 22496.8974 23738.94832 20501.4466 22390.20439 20606.8591 22535.12274 20709.41726 23086.92474 19897.94079 21028.43846 20865.78333 20621.19389 PE-Cer 25:2;2O/12:0 637625.9719 4262782.572 2461381.196 2031036.266 989992.3249 2306892.166 1145244.241 1596425.526 941574.5354 1609028.51 2670460.21 392960.8131 566537.8601 D-Mannose 1,6-bisphosphate 33539350.97 19133742.66 21101878.81 27589312.91 31407876.52 31271713.38 37845806.33 28195856.36 27815874.52 32374272.48 32073613.78 41327825.83 40367940.94 CL(i-13:0/a-21:0/18:2(9Z,11Z)/i-16:0)[rac] 3202202.044 8035317.505 6266367.684 4032401.713 6494006.109 1911632.532 2304203.246 9185356.126 9618535.604 3747829.52 2993173.052 5384090.214 4625624.294 MGDG O-28:0_3:0 1581097.706 4194326.723 9055582.126 12549978.77 6262778.119 3269796.438 2148045.523 10999564.7 5362959.37 9051643.694 9648367.696 3573085.174 1555698.709 CL(i-14:0/15:0/15:0/15:0) 5770219.183 3639122.626 3955522.122 2003505.152 3069340.887 3136982.145 2824678.536 2189896.781 1425612.716 2280225.656 1663530.378 3590893.81 2856005.802 PS 30:1 5308429.689 11615644.64 10098095.7 3611370.395 2999106.122 1401969.654 4173546.001 1058350.683 1604863.63 2380223.275 6026235.37 848275.5312 963587.0465 PE 84:4 991139.2054 9547412.935 3810022.527 3257463.028 1577049.751 8970485.102 2226087.584 4246724.177 3219550.273 4290029.803 5984532.031 979988.3926 1061242.193 Minodronic acid 28761899 28609686.92 37689877.7 15471192.51 49047279.1 20258537.05 17832024.03 22092497.78 20594912.4 16982062.71 19892791.03 32325301.13 14213044.88 ADP-ribose 2'-phosphate 28761899 41971466.65 22570392.6 30750284.27 32626281.04 20258537.05 37767512.27 22092497.78 18939285.02 16982062.71 19892791.03 32325301.13 14213044.88 5-Deoxymyricanone 6018031.949 12145942.34 9709645.498 9284333.059 6184350.663 8123285.694 6213321.066 8205574.156 7598708.53 6389159.248 5405328.351 4738760.858 5285524.11 S-sulfanylglutathione 2223033.704 4447779.963 4304777.552 10747510.76 19303772.44 13701017.76 21416328.41 24765576.81 25472334.38 6681859.587 12535579.29 8978837.595 12534257.78 Hex2Cer 75:11;2O 63741716.57 58878762.93 67390612.23 54802837.35 59291671.86 67159300.31 68924545.56 62844571.02 68172691.75 68202439.49 59665912.67 69389514.3 76002624.83 DGCC 42:10_42:10 25738661.89 13860815.37 26764477.69 18081413.42 22807082.4 24731255.21 27159733.13 25263461.52 26563943.92 25049033.02 13068944.82 26615387.18 30185900.34 6-Acetylcodeine 7009851.052 12766929.62 9497893.287 9792783.465 6603233.695 9438759.632 6213321.066 8116907.703 7547866.623 5440148.048 3120931.451 5069029.998 5285524.11 CL(14:0/14:0/18:0/14:0) 833260.4774 762170.2302 804940.0902 915473.4166 938822.0491 916690.2098 924260.1376 897870.9678 906279.7972 942654.1802 920781.4677 1160502.543 1534637.714 Hex3Cer 64:13;2O 20190561.56 27779569.09 25322045.77 29295933.84 23281153.41 32714820.62 28543231.47 32757816.45 29991762.54 32426177.03 32228367.3 23624292.29 28310675.18 PE-Cer 21:3;2O/16:2;O 4376268.827 5817560.868 2857221.605 2803315.07 1308191.451 3459404.167 1751113.312 3581653.27 4992635.837 3585333.094 3236032.489 3446647.491 2871005.122 SM(d16:2(4E,8Z)/18:3(9,11,15)-OH(13)) 61867451.3 50572506.65 48453878.04 57525156.94 61950075.92 66765174.68 77211274.25 54711134.02 71780389.72 64037418.87 56780272.06 89727996.77 88145945.87 CL(14:0/18:0/18:0/16:0) 25676998.22 19294467.57 19660239.24 9041082.014 23224364.04 22838227.18 25742680.23 3723336.805 23157209.96 28035403.41 24454668.38 29478153.88 27773340.85 Cer 16:3;2O/32:9 1958798.536 12939211.85 2622458.157 2536319.185 2788224.017 2238470.233 3154490.848 11789813.99 2445562.463 2338975.543 22241163.23 2003420.387 3045167.719 1,3,6-Tri-O-galloyl-beta-D-glucose 1713925.576 860686.381 842240.6995 926519.4076 964836.9611 961656.1285 955769.8647 897698.1492 2140919.567 1002159.211 989347.0495 12290985.46 6220134.162 PC(14:0/P-18:1(11Z)) 707259.8957 3898924.871 1377047.471 1310042.413 1005185.752 829176.4169 928426.922 1231220.949 1094714.698 1122088.417 1068241.563 1201677.635 1160293.457 5-Phosphoribosyl-4-carboxy-5-aminoimidazole 612894.4715 410329.6128 325390.9104 760162.2025 690306.21 663702.2404 491942.7948 971369.8814 679896.5816 624630.5765 793048.7775 1443179.679 945083.979 CL(i-15:0/i-15:0/i-15:0/16:0) 7662494.715 11081548.77 11357267.96 11127474.35 9757189.95 11121997.16 9296137.562 13912020.05 12940738.12 9739793.854 16173755.46 7451849.346 8113258.466 CL(14:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/14:0) 4401528.713 4723116.849 5663360.617 1239531.823 1209338.595 1383872.397 1277859.549 1333667.716 1359265.62 1449132.924 1756444.389 1284235.962 1347867.338 Hex3Cer 65:10;2O 35682152.86 12448961.38 12154105.04 14538024.87 28768873.2 16130574 38465754.26 39837898.96 25904246.37 22953263.6 17130454.01 37937829.05 66476893.65 MGDG 32:5 485546.4429 1828995.731 886244.5343 1139254.215 987729.0972 1245272.568 402331.1157 853695.0694 851792.2345 666226.0492 1275098.259 216056.1946 419488.2614 PC O-28:7_5:0 558024.3315 1209680.631 1427402.982 2397969.514 3516615.329 2290081.423 1438800.184 2722158.027 2767285.759 2709061.366 1962267.364 2452569.016 1013180.438 Fructose 1,6-bisphosphate 29171976.77 44598391 50861351.44 60502280.06 61545844.13 58131752.67 51006937.78 54131593.2 48557773.56 67879574.05 68658813.94 41650064.76 44767019.39 PS O-22:0_10:0 6337615.517 5214227.224 5948310.501 6347138.437 7420598.473 5985271.314 7932836.05 7462038.282 7339100.094 6041240.115 4944504.077 9012459.389 8075061.566 Ganglioside GD3 (d18:1/16:0) 2121373.138 808329.4868 863105.2749 974636.2513 999099.7543 974307.8198 961721.3295 1180304.756 1284759.367 1001211.217 970903.2236 1019977.547 938218.0024 CL 72:10 5573254.525 2235768.526 9298621.321 2656663.436 2707678.229 992127.1105 1914616.673 1714664.958 1671539.884 1816915.722 3321449.59 1158765.832 815582.349 DGCC 44:8_42:12 13274821.43 10853721.06 17657816.41 18682892.37 13789216.58 6424813.395 12738299.18 14690582.82 13669197.54 13922657.99 10698487.3 8722530.092 11158975.75 PG O-24:6_10:0 3086058.51 20956959.92 9066069.695 7507049.706 1980329.829 14382745.08 5170594.902 9951729.761 9622969.724 7750174.282 13867674.9 2681631.993 5456991.773 PE-Cer 22:3;2O/16:2;O 4780768.011 3442117.11 3789006.475 4956728.349 5283164.818 4476705.354 5841782 5035317.206 5875133.624 4541985.612 3969062.566 6719899.164 5849398.583 CL(8:0/a-13:0/a-21:0/23:0) 4780768.011 3442117.11 3178939.588 4956728.349 5283164.818 4476705.354 5841782 5035317.206 5875133.624 4541985.612 3969062.566 6719899.164 5849398.583 Ganglioside GM2 (d18:0/20:0) 6873020.951 6751982.881 5816913.864 1181356.743 1264008.875 1201058.413 1233271.823 1229910.121 1233580.28 1208430.665 1235054.789 1414033.863 1299155.356 Hex3Cer 66:10;2O 13097147.69 16409243.29 14160491.36 18435591.72 18299209.78 3370350.21 9748616.371 7124421.899 12292687.55 8585646.46 12006796.18 4921588.471 5653210.515 DG(i-12:0/LTE4/0:0) 41924365.45 18421083.67 59563139.27 73539432.22 65800431.03 38575392.7 56430418.76 43652025.66 38435347.46 28960051.67 83926446 4203983.579 11927275.43 Hex3Cer 13:1;2O 79024.0902 120441.2894 42694.22691 404036.3128 484757.3878 650535.3962 548372.364 103150.7956 589631.6971 232033.4256 195350.6253 583631.6402 601797.4174 MGDG O-28:0_5:0 270999.3011 783154.8473 1956883.998 1368963.769 1166047.371 857850.6121 837174.8271 2350589.367 659679.2437 2019639.007 2510331.915 460016.9531 456969.685 Ganglioside GA1 (d18:1/24:0) 2762015.984 3197109.893 3488163.275 933490.2923 2036569.984 1380783.201 622408.2693 837564.8265 662058.8023 885443.7462 672408.9184 661014.5581 656507.0299 Dipalmitoylphosphatidylcholine(DPPC) 188337.0776 1361890.806 2428530.079 2395520.088 1542480.582 352459.9144 329089.1428 1796967.276 636481.1961 1925873.037 3192856.453 741712.5271 143510.7753 5'-Iododeoxyuridine 7281096.679 5014660.021 3476945.682 5885220.327 7232691.435 6332268.182 8871754.588 7052043.895 7265185.655 8365929.27 8417451.498 11428772.53 8649245.256 Ganglioside GT1c (d18:1/22:0) 746776.1951 996128.3238 892373.6292 899723.2825 764851.3402 1022932.124 815405.6552 882416.5886 868182.6519 904972.463 931465.4643 738374.5886 799595.4579 Cer 33:3;2O/16:4 214337.0819 208598.2203 218090.6581 445375.2919 254669.2836 251542.8398 663064.8966 655470.8369 5880089.559 251627.3362 250663.8549 8195385.258 5680986.808 SM d37:5 749138.558 196807.5854 389315.7678 623283.3952 429081.6932 411383.0342 1056822.665 211157.5645 586009.0724 230247.8859 680145.2192 739889.132 1169600.021 Hex2Cer 79:9;2O 55947648.22 106579891 80745035.42 77224061.3 60383199.4 96241281.98 83731278.57 80636076.07 75113350.4 98047533.03 93282854.88 46501766.56 66924066.13 DGCC 44:9_44:9 5687627.187 15573243.59 6750998.831 10980715.79 7327744.951 14906413.13 11518502.6 12940093.4 9067662.461 14155424.96 10587824.49 6185727.757 7079626.316 MLCL 24:6_26:4_26:4 5214372.231 7642015.941 9110318.132 2382677.107 2968156.085 2886452.347 3481929.162 2484932.016 1082166.141 2118608.416 3899355.871 1302576.723 806202.3457 PS O-24:5_10:0 4160555.842 8161796.114 9110318.132 2382677.107 2968156.085 2886452.347 3481929.162 2152970.069 1082166.141 1850105.568 3899355.871 1073156.21 786147.5346 PS 33:4 4188399.917 4404560.284 5452946.874 5102599.147 5063942.978 5373662.09 5646380.826 6579686.628 5508336.717 5842935.648 5250189.361 5765597.855 5117450.265 PG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/i-13:0) 4330851.813 3964684.314 4638999.766 4454090.508 4256366.717 4908399.869 4099322.067 5781749.868 8621827.441 4794692.573 4337999.165 4509065.817 4938603.215 Ganglioside GM2 (d18:1/22:0) 571986.2249 523186.788 552545.8797 614977.5109 644448.2779 629256.021 634452.3487 654105.9867 622109.8611 647078.8194 632064.4384 670390.3224 654766.3591 PG(PGD1/i-13:0) 3228998.553 2398779.648 1967875.281 3666452.711 3780497.225 3367395.812 3715388.533 4733785.029 4816989.273 3252862.136 3518212.32 5406864.714 4752177.325 Hex3Cer 69:15;2O 92972101.74 80787967.31 77192549.78 97778080.39 108861383.5 99490625.91 117491209.3 100603712.1 109224549.3 108183866.6 103974617.6 125554426.8 119825131.1 NADP 6754948.613 13883037.84 9883789.995 13652192.19 5757375.477 12606258.5 6335520.67 8461811.296 12681753.94 9485768.787 10609242.58 2047352.209 4622975.163 PE(18:3(6Z,9Z,12Z)/15:0) 3294901.4 1869097.416 1967875.281 3176816.292 3780497.225 3367395.812 4297031.615 3464861.815 5486258.719 3252862.136 3518212.32 5406864.714 4825158.996 Ganglioside GA1 (d18:1/26:1(17Z)) 14349124.91 11312296.61 13131170.02 15717739.19 17701083.61 16380476.25 17907289.33 16633915.19 16818231.35 16181799.72 17745044.54 21409936.97 22133295.13 Dimyristoyl phosphatidylglycerol 4105896.41 1869097.416 1967875.281 4969984.446 1871035.304 4989560.54 2511759.896 824845.5914 3736326.099 5137690.395 4705105.723 5392505.491 4668604.923 Cer(d17:1/LTE4) 3294901.4 1869097.416 1967875.281 3176816.292 3780497.225 3367395.812 3715388.533 3464861.815 4816989.273 3252862.136 3518212.32 5406864.714 4752177.325 Histidinyl-Tryptophan 128890.0997 454327.8089 933405.7658 224225.0571 471512.62 447021.9232 336829.1302 666350.4758 654808.5297 344937.5216 328534.8304 127897.0729 242204.7006 PE 38:7e 2757148.077 1147154.685 1087901.949 1107993.53 926074.5657 1259723.07 996755.9886 1086680.639 1060164.856 1114457.805 1147083.474 909295.4279 984687.8607 CL 76:12 43420091.92 1014555.054 992811.7573 1093654.341 17592089.27 1133575.605 20533846.3 17851858.39 20013179.19 14937779.02 1166216.954 25019215.93 24141916.82 Adenosine thiamine diphosphate 174637059.8 170662279.5 178237555.7 160947567.6 166354772.6 107912798.3 194893240.2 188468288.2 182692281.8 186871954 112114849.7 186958408.7 202934646.7 Perfluorotridecanesulfonic acid 34007431.06 24154868.54 24025869.66 37258651.8 43008528.09 35182594.5 46786722.57 44060077.89 45313564.8 39449631.51 40124947.81 49884798.91 49394514.19 CL(i-16:0/i-16:0/18:2(9Z,11Z)/i-22:0) 11277473.38 16475545.13 9721158.181 9272171.686 6450459.915 11491471.04 15370454.29 17241356.18 16947928.59 15895601.51 17914408.74 18748760.96 21755675.95 PE(P-16:0/5-iso PGF2VI) 51492908.3 36822795.74 49656437.87 52078811.47 54327719.53 60319296.46 65236966.94 54258983.2 63710050.42 63608796.34 60584174.8 74233299.76 69522462.4 Ganglioside GM1 (d18:0/12:0) 520520.7102 491076.8624 533576.3305 587526.1785 603662.0403 587128.5767 608310.1267 601509.6409 613391.8278 634012.1236 588864.2166 627218.6454 628532.5356 Diadenosine diphosphate 20657037.76 20043319.93 14914104.5 18030991.65 22218224.13 19541947.83 27169062.34 20398074.38 18749134.67 6558305.43 20319733.78 31282033.99 24194204.01 NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848597] 4043172.182 4406019.86 4685142.395 2584283.012 5083414.065 3383138.49 19044575.61 3967791.37 3081743.971 3574339.002 5179789.704 3263218.834 2363819.058 Tetracosapentenoic acid 96580537.13 70486003.42 75095131.72 63159786.04 81040711.08 66685367.64 84995339 77985804.5 83668429.73 73644805.27 70813998.4 98031456.53 94524275.23 Ganglioside GT1b (d18:0/23:0) 38160728.75 20823641.13 22428987.13 21811497.08 22065137.29 18256057.26 19675579.12 19570725.03 35656519.39 17461630.19 15381103.18 18826784.09 25202474.21 Ganglioside GM2 (d18:0/26:1(17Z)) 6733492.213 11383101.58 8729423.673 11471715.44 7176415.053 9240109.504 8581387.426 7783875.397 13937710.25 10296861.87 13946087.59 5456185.303 7041646.564 PC(14:0/20:2(11Z,14Z)) 1418254.012 3256560.211 4131736.309 1820399.21 2157224.679 1212774.343 1396909.626 5247119.847 1571697.698 1366041.425 6812237.684 4177866.431 1466510.25 CL(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/18:1(9Z)) 6733492.213 11383101.58 8729423.673 11103664.41 7176415.053 9240109.504 8581387.426 10859767.94 13937710.25 10296861.87 13946087.59 5456185.303 7041646.564 Pyroglutamyl-phenylalanyl-prolinamide 2751596.791 1973697.209 1606167.067 2845976.782 3383734.473 2329197.93 4051726.083 2224339.601 3109433.266 2039389.822 2616513.672 4099443.7 3777366.722 CL(14:0/18:0/16:0/20:4(5Z,8Z,11Z,14Z)) 21430519.33 35390525.37 41093103 53064129.41 53401013.6 49751733.64 40984059.67 45502995.82 42185119.85 54031981.45 53335882.25 34563736.56 37452816.28 PGP(18:3(9,11,15)-OH(13)/i-13:0) 3669804.505 4500075.158 4100553.279 4371493.672 4139730.85 4337519.346 3777025.711 4966345.689 4558462.86 4138590.274 4390575.51 3790814.77 3939395.206 OxPG 34:2+1O 20272471.65 9580437.528 26539904.21 50333443.97 11788216.33 23192290.25 32812373.14 37204414.9 29468096.62 29050999.06 33034229.21 10895758.8 15962904.34 N-Succinyl-Leu-Leu-Val-Tyr-7-Amido-4-Methylcoumarin, >=90% (HPLC) 3647939.473 4795437.482 5045734.414 5050801.329 5315752.492 5555846.034 3847032.793 5194322.611 5006759.644 5196653.721 4658598.842 2115621.757 4757913.944 14-hydroxyclarithromycin 2668174.438 1459295.871 2497391.784 765826.7654 759873.0224 850367.1902 802927.3204 837993.6953 854077.8236 914138.1056 1835987.797 767278.9312 846915.853 CL(14:0/18:0/18:2(9Z,12Z)/18:0) 38950801.2 42904891.57 45675501.34 50811786.52 51428462.89 52613926.84 41988628.57 44164337.24 37690771.82 53013296.2 58339222.1 35475959.07 34156397.29 PG O-26:7_11:0 7975472.362 29995424 27476748.44 50333443.97 44734156.59 55550592.03 37447667.02 23473639.49 32229910.03 16092606.13 53213003.36 11085042.65 16812597.81 CL(16:0/i-18:0/18:2(9Z,11Z)/19:0) 8321491.364 8301098.382 9043809.063 10815964.89 2090646.274 9784504.73 8523176.079 5310729.035 6480418.126 10275884.87 9929467.872 5581786.921 7412892.731 Ganglioside GM1 (18:1/18:0) 1994249.746 3619307.595 4094091.64 1974165.679 665503.8207 786434.5923 669982.6072 733902.38 687132.11 709834.574 724622.729 655005.9881 712534.8244 28-Glucosyloleanolic acid 3-arabinoside 14790473.57 2635350.18 4723282.776 12629259.51 13584767.24 12681591.01 9521353.697 8395991.46 15287814.56 14180128.21 12853481.61 17452132.77 17588290.42 MLCL 26:5_26:5_28:4 28770583.24 32627321.17 37521743.91 49597606.2 38605620.27 31292748.87 26790129.8 25419482.1 28770281.73 28203658.07 21273523.19 16119965.12 17157924.77 PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 5724130.036 4324333.504 10944208.11 7546789.232 9069688.665 9275211.966 13461502.2 3286229.115 11959742.4 15714606.84 20077120.58 3463919.258 5772373.215 NAGly 26:7/22:4 4571588.287 4090737.124 6678421.483 11926172.51 11111599.4 11794954.13 7462653.853 6352422.542 5879402.086 6206000.064 9595495.703 16853915.88 13872159 PA(14:1(9Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 38555418.05 58270258.77 64498661.46 88404714.07 45776838.27 75816992.84 100209022.9 97351933.49 46293773.77 62616418.94 41855407.89 76587921.47 76912406.85 Prostaglandin E2 methyl ester 431818.5283 408794.4734 499522.5251 2167689.698 2083816.248 2519031.978 2934540.082 3668828.682 5056292.456 5262676.402 4595618.885 6175109.505 6320391.17 PE(15:0/PGE1) 13168475.13 19591760.57 17444107.73 17980152 14427202.47 14472812.8 10706920.49 16223331.84 12085854.8 11607738.49 19667304.98 8429784.754 9601520.834 5',5'''-diadenosine triphosphate 807547.5321 1811708.131 2695406.622 9991272.505 16453121.18 10827452.3 9923774.52 18242183.47 8568066.18 10270038.28 8711249.564 6012087.805 7015755.425 CL 80:13 871263.799 840273.2403 829010.2836 3777595.306 4322018.837 2688724.227 5330680.544 6939369.76 5819388.167 5128735.653 3000561.895 3223706.23 14282432.29 GM3 d63:3 7359419.577 13226441.16 12237859.51 18850893.94 13237659.83 13376064.4 11718282.68 12943704.84 12438441.12 10929463.7 6319402.952 6064560.561 7630082.13 Ganglioside GD3 (d18:0/24:0) 854497.2391 8165625.016 4384207.696 1086869.97 1063509.508 1088032.423 1128232.604 1122212.672 1099183.688 1181821.89 1206749.86 1104534.07 1236857.245 PC(14:0/22:4(7Z,10Z,13Z,16Z)) 137952.2641 534267.11 638017.2409 1547371.782 563370.6546 163169.7111 233634.3337 406410.7045 169597.6564 337297.9922 673559.547 275431.1954 68335.6421 SQDG 32:6 74604865.57 105369971.4 100707629.7 149439492.4 51055693.82 144885536 104030348.2 47304168.97 90537853.35 124160991.7 144130311.7 41210451.5 54601999.37 PMeOH 41:3 31319.48005 78758.10701 35009.78009 349356.9517 123399 223756.8443 88260.44392 106657.93 37630.45003 255476.8732 636559.5578 36793.08505 73059.72736 SL 26:3;O/22:5 2063560.317 1474045.678 1015243.998 2496946.446 1038232.413 309953.5413 1249201.201 1517899.896 1717190.593 1556613.04 218545.7277 1825048.917 1840666.907 N-Acetylgalactosamine 4,6-disulfate 21991994.35 13102717.21 14280566.57 17114329.35 25991928.44 19388360.54 25527894.95 19403827.29 21383181.68 25786382.47 22866269.96 31257199.6 25789408.56 GM3 d64:3 26678252.2 36127298.71 33049479.59 29087011.35 28230205.98 25938029.27 35644606.71 33059348.92 32609465.6 35547623.05 35860195.83 27394862.64 36345115 FAD 2696281.463 2131848.466 740751.7434 729724.9752 731119.7037 715033.6515 715876.5893 729666.7498 767310.4496 801627.2903 918229.7896 802116.3744 858871.9869 CL 82:17 6517395.645 2378135.639 3272659.321 2103028.638 1509083.792 2257327.73 3435097.902 850770.4556 1750812.974 2986626.402 1167739.656 3677961.451 1669228.698 5-phospho-alpha-D-ribose 1-diphosphate 3233480.145 1574501.387 4779679.468 4364533.769 3486974.783 2994418.682 4729742.762 3217002.422 3711464.183 4906140.068 4722494.494 7185245.062 7007810.866 Antibiotic 205t3 3233480.145 4492783.373 4779679.468 4364533.769 4389005.19 5083503.072 4729742.762 5194679.72 4713388.439 3900424.636 4722494.494 7185245.062 1210622.971 PG(20:3(6,8,11)-OH(5)/i-16:0) 4004784.786 2769876.388 16555359.81 21656362.2 27406475.03 4486233.343 2902909.475 4233554.85 11849562.08 3756609.979 5403109.442 17205075.2 20029439.65 Lacto-N-tetraose 2518712.473 1359276.56 1998952.798 1662711.627 1390016.949 2122292.56 3525276.052 1703046.302 1746001.644 1970649.93 3811030.386 3145059.382 2866180.321 Ganglioside GD3 (d18:1/20:0) 55698982.45 62180940.69 63845853.86 78881473.93 67317561.81 88708577.95 83048210.7 88070708.77 92023962.67 91865970.41 87168587.8 80296553.03 84024103.8 PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 329299.2378 951634.5366 849940.8622 1060741.222 546128.4273 685069.5445 2417389.666 2840347.85 801595.6915 979704.3657 1628903.65 1699270.634 1350500.954 Perfluorotetradecanoic acid 553477.3336 501928.3089 493651.8945 551351.4201 565507.6917 563643.3505 560193.309 543032.6041 565109.7106 565660.9066 554425.551 596726.2852 1745851.938 N-Eicosapentaenoyl Cysteine 781922.992 19050448.58 4439281.565 7674544.329 4582012.68 22372772.97 19074157.15 16494597.51 15103990.74 5332500.373 6321326.409 820373.6161 781568.9039 DG(22:4n6/0:0/22:6n3) 8608528.719 4552142.539 20200850.11 7612962.838 7889532.572 6350466.148 16626483.28 17136859.06 15232426.74 6939621.152 7126950.596 4941132.427 10722603.59 SM(d16:1/PGE2) 41081407.56 31848897.87 32871739.33 27590746.47 37001022.38 31901071.66 50033448.62 45681280.41 52807113.13 51488301.86 46415556.26 60762787.58 56569798.45 onnamide A 266756.7394 247645.7824 298232.8563 258491.1022 1629458.608 238743.3282 325421.0824 250629.5776 213521.6838 283148.9214 314401.5837 1846902.949 278373.7864 Ganglioside GM1 (d18:0/18:0) 18899307.47 561043.0273 586312.3461 676472.7527 693452.3111 676244.7959 667508.8005 7771456.978 7234944.853 694917.8289 673881.7434 4875207.436 4424041.202 N-(5-(2,3-Dihydrobenzofuryl)sulfonyl)-N'-(3,4-dichlorophenyl)urea 6657057.539 9413551.014 7008565.572 4974605.008 5746983.127 7629294.794 7090292.023 10467558.65 11458015.04 10105213.85 10222335.27 5585333.754 6102443.688 N-Glycoloylganglioside GM1 1047110.024 949585.7046 933927.7616 1078746.985 1105823.681 1066342.859 2567153.835 4157931.499 3215649.099 1111255.142 1048903.933 5383026.271 3059080.376 PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 922725.3738 2176635.309 5156384.617 3894525.405 2924337.523 1079084.003 4725266.561 7097971.761 4812236.965 3089378.046 8758959.551 4688406.925 3195914.801 L-Pyroglutamyl-L-histidyl-3,3-dimethylprolinamide 1113803.935 1010067.968 994522.8282 2082824.007 10652094.91 1147069.291 1132251 1125393.019 1137212.64 1178743.121 1143061.001 1200837.043 1130950.035 PG(i-12:0/PGE1) 22848210.19 13210180.63 11128338.26 11173383.04 28267478.37 31149383.08 21767207.91 22801975.94 15329969.89 18144894.92 10509752.37 6578066.218 5436027.098 Ganglioside GD3 (d18:1/26:0) 710491.0543 761007.7513 740009.2329 687613.0886 674035.4423 708628.3526 726103.8466 709272.8292 728463.6328 1195535.359 738606.8298 705021.741 708404.6302 PGP(i-12:0/20:4(6E,8Z,11Z,14Z)+=O(5)) 2288626.855 4367452.187 4916731.264 11684866.79 7577808.418 3794525.751 7018782.392 4159529.196 6276180.037 4323871.052 8487857.492 1045588.51 3469755.115 GM3 d68:1 4973076.02 18728231.03 14106506.89 10951951.21 4656228.297 18816032.66 11413593.6 11109312.64 10001968.96 16696973.18 18203949.82 3669681.7 6349708.812 TG 16:1_16:2_17:0 41178497.99 81383987.18 69459162.15 53830165.48 63190168.71 83596038.78 68390089.4 82263765.57 77572542.81 82580285.89 83577926.94 51855233.91 59507893.51 SL 26:0;O/22:0;O 5450708.607 5074685.846 4872303.166 7887825.576 7640074.157 8131105.175 5884346.029 8789296.438 7378399.301 8784527.026 3649149.512 4672193.014 5163882.404 dUDP 1366484.951 1822760.785 1632905.739 1646354.468 1399559.671 1871807.595 1492066.25 1614685.895 1588639.992 1655959.657 1704437.752 1351111.31 1463136.034 7-Ketocholesterol 4522223.449 2116741.409 2561284.709 7865613.651 6664879.999 7172534.462 5433731.749 6878018.614 6667852.335 5082019.531 7275327.108 4138769.459 4673459.094 Ganglioside GD3 (d18:1/24:1(15Z)) 42478029.43 8692668.341 2324076.396 816620.6423 13430243.43 817706.0462 16196948.71 17115479.34 25537316.83 5822897.505 821355.5303 33686404.09 32805024.5 Flavonol base + 4O, 1MeO, O-Hex-Hex, O-Hex 230242.5253 1730489.967 276348.6607 2361845.066 1005655.646 4625935.503 2221542.873 2528716.428 2519241.65 3816887.635 1029566.948 154057.2799 1157381.307 PC 39:0e 49632956.97 46446713.9 66332146.17 26692344.81 63190168.71 72528640.13 61179422.41 75313644.97 68877653.28 69613994.19 30164118.48 46262799.27 53311937.84 SM 41:0;3O 15252255.05 13361777.88 42652435.2 14163248.49 18884563.18 21413051.07 17612526.04 22218225.54 22235312.59 21685188.9 7275327.108 4138769.459 15782964.32 DG 25:0_26:7 31302001.89 44890948.42 42652435.2 25637270.42 39593528.05 45801854.63 37720737.6 46102974.6 43707177.01 43667587.35 46660468.36 28574812.22 33918101.22 Tapentadol-beta-D-glucuronide 6838620.909 7104212.104 6353861.77 5529820.89 6313885.44 18782670.05 13767919.19 5304090.288 12177039.23 6105915.155 3697023.26 864859.5178 8824898.323 SL 26:3;O/23:1;O 185075.0832 247509.3377 252362.4787 254513.2231 231405.0347 249277.6804 233226.2972 246860.9926 234886.7504 235062.0694 263715.2678 211767.9888 207693.6985 SL 26:3;O/24:0 1944362.183 13361777.88 18975415.06 8063999.826 18884563.18 22618519.19 17612526.04 22218225.54 22235312.59 21685188.9 21815219.04 13913701.93 15782964.32 PI 34:8 4189662.984 4514728.041 4311589.948 19800315.61 15850693.62 5854187.442 13767919.19 14860915.98 12177039.23 16596266.66 9923427.145 3733128.663 8824898.323 Ganglioside GD2 (d18:0/16:0) 677892.3739 620057.4738 654852.5502 728843.7144 763771.1433 745765.9631 751924.4171 775217.0259 737296.6554 766888.7429 749094.3731 743507.5734 775999.6695 Hex2Cer 16:3;2O/16:2 4066055.764 5055673.856 4031361.883 4609835.939 2428140.131 3642622.569 5316978.866 4935788.028 6702610.079 9177223.268 5738983.586 11406887.4 10521338.15 Diadenosine triphosphate 16030823.36 10742629.41 9753335.059 22995265.18 17178882.96 20768219.45 24024691.79 27393571.07 22947318.53 26805394.26 22828498.3 24253256.16 26262684.15 Ganglioside GM1 (d18:1/25:0) 797938.9589 727276.1486 711689.6301 783977.8769 815282.9237 812595.1344 771371.6915 758550.9274 769530.8492 846820.058 835993.839 860290.2448 959352.3343 PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 386964.9301 1072075.291 767573.852 1697222.326 690427.7428 829454.6747 2191787.113 1908004.074 389723.048 934278.8725 2983581.424 1179603.238 752415.2774 HexCer 21:3;2O/22:2;O 12399834.82 23103513.44 19003663.74 23143611.62 16710416.13 21689556.83 15453953.59 22432788.21 19081999.05 19160331.09 22627560.24 11061250.52 12495395.59 PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 225807.6041 410805.4162 626080.6055 860866.0944 434696.2765 286187.3769 213659.6019 4319554.111 248602.3286 4055129.943 337917.2408 796061.6578 228231.2709 ST 24:1;O4;T/23:0 29408860.68 50104833.21 60958646.53 51531103.31 54338332.26 68413459.83 47820357.88 64769826.44 42887918.27 62629087.07 71570721.27 31255834.88 39529690.13 HexCer-AP t42:4 38867851.56 21598375.03 60958646.53 70458486.65 54338332.26 68413459.83 47820357.88 64769826.44 59419035.38 62629087.07 71570721.27 32483919.41 39529690.13 HexCer 27:3;2O/18:5 36253187.13 64087743.02 54349741.34 67207655.96 48791329.93 61590358.26 45436360.2 62682129.09 54042088.42 56759026.95 63839229.64 31255834.88 35772089.58 Inositol 1,3,4-trisphosphate 18278543.17 10836603.04 3818222.519 18439718.45 21244935.54 8778335.889 23218921.04 18447713.38 21893896.07 8952930.869 21115920.07 24156250.14 23995680.64 oxalyl-CoA 3952946.999 9127830.051 5970283.313 5707714.527 5206422.45 8067472.451 6207583.939 6800916.359 5507486.259 3260438.461 4853350.657 1385052.304 4391324.738 TG 14:1_18:5_20:5 2781666.042 6409707.322 4909265.743 6257381.955 3940215.57 6076188.115 4125189.598 2000117.409 5349886.618 5281799.476 6133790.397 2273039.151 3210871.23 dADP 28145206.07 20507228.31 25141215.13 13390613.97 31255686.67 10631356.79 31359893.41 27802020.28 27359570.62 28440717.33 25363286.35 35463355.71 7186936.686 Amylopectin 759661.6018 1956637.538 1549425.611 2879790.779 1391206.554 2649558.47 1036507.139 3281809.474 2546712.745 868562.0063 867914.0729 1969607.326 2650127.952 PC(20:3(6,8,11)-OH(5)/14:1(9Z)) 54627037.81 79688582.63 120173967.6 103027077.1 124996955.4 83203777.58 54732916.41 129548741.6 67869442.76 100223907 76124006.21 134995504.6 61956777.98 ST 24:1;O4;T/24:2 4292154.264 8062757.581 6733497.401 8554405.648 5863311.236 7208476.968 5545618.541 7907189.983 6267762.862 6740718.637 3213448.291 3460199.252 4562980.813 Ganglioside GQ1c (d18:1/22:1(13Z)) 16173464.08 21314906.69 19604607.87 27394378.56 26652577.99 24563241.39 19444994.52 21046365.1 19614296.56 26589943.62 28712730.21 15054699.42 15650168.56 Ganglioside GD2 (d18:0/18:1(9Z)) 934917.1787 798815.1227 834793.6716 963164.3896 987339.9472 964444.5708 950401.4815 944644.953 954566.2383 989426.5568 959475.3011 940549.2981 927174.7981 gamma-L-Glutamyl-gamma-L-glutamyl-L-methionine 271099.8846 636735.3728 534471.0249 549306.4271 444434.9791 494139.7967 359815.4885 440034.0807 320986.812 353204.4785 339939.2426 225596.6736 248657.3901 PC 42:10 6810583.545 15761767.85 11676107 14187821.55 9475472.959 12333150.22 8474084.415 11638286.3 10851385.2 11974064.9 14190000.51 5046595.312 6565590.772 CID5241369; (Acyl-CoA); [M+H]+; 793802.0241 1299182.012 900948.4269 775514.9384 555769.877 1042666.157 275009.3534 320713.3454 280795.4822 299975.7644 311768.7023 249455.4434 263311.5389 Lipoteichoic acid 9354441.586 8678557.25 11704331.51 9710302.968 13236374.92 10268651.35 5417513.242 7709638.286 20869746.55 5771364.009 5684854.234 4913682.003 5593469.72 TAG 54:17 19433970.57 33730150.53 36294303.83 43550948.35 29431471.22 40877701.19 23924032.23 37933541.05 32023281.35 35532024.12 43219578.03 11514061 19091618.41 3-Chloropropionyl-CoA; (Acyl-CoA); [M+H]+; 4569099.183 5685002.991 5997726.038 7205626.906 5544508.383 5355604.057 5917764.861 7139620.332 9643719.546 8880296.315 8775828.344 7360507.37 8862758.464 PC(18:4(6Z,9Z,12Z,15Z)/20:3(6,8,11)-OH(5)) 8670963.787 4505275.049 5445554.718 6967221.037 10495856.76 7555248.137 10834506.6 7755766.783 14706823.79 6458852.147 9546714.053 11513453.14 14087192.19 Undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine 1141479.702 1008313.614 1038979.18 988627.3776 1057795.443 1005114.87 1032072.907 1029259.641 1032331.042 1011284.395 1033564.996 1183344.996 1087208.044 PI O-26:4_11:0 19894972.51 48521307.11 36294303.83 43550948.35 29431471.22 40877701.19 23924032.23 37933541.05 32023281.35 35532024.12 43219578.03 14540120.58 19091618.41 GlcADG 42:11 40975.6094 42478.25189 66680.57322 142815.3774 83398.56898 208729.6253 105234.8099 215000.1964 696005.2002 112498.0558 566867.0624 135687.6825 199195.9943 PI(16:0/20:2(11Z,14Z)) 12810958.24 29559769.29 23535443.9 28559666.64 18441023.13 25248221.37 15368108.33 24248216.42 20412851.12 22112485.57 25277779.88 10043713.36 11602931.36 (2S,3R)-2-(Docosanoylamino)-3-hydroxyoctadecyl 5-acetamido-6-[(1S,2R)-2-({5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[2-deoxy-2-(2-oxopropyl)-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside 7041083.428 2943325.131 3828567.985 6380948.118 8477059.151 3695240.424 9237996.686 6395429.643 7092315.299 5668722.322 3591341.868 11504420.78 10877249.58 GlcADG 42:9 2660170.79 5737700.976 4574856.724 5182437.297 3302297.449 4772112.34 2931255.596 4587734.591 3356672.231 4440591.613 4642742.477 1837921.998 2498731.176 IVERMECTIN 2533134.413 1310927.265 606282.6492 591894.9576 628091.1342 2295321.469 618894.1202 641838.4153 1662772.336 634504.5373 1781978.087 630828.0482 640521.7057 SM d46:2 202683.7551 268142.1508 270347.1607 509399.4906 386619.2518 603064.1635 18921259.3 340613.1667 272712.0132 886405.5241 2380853.851 214592.0022 1722856.13 Pheophytin A 3608601.568 586849.3763 1003242.247 1461715.206 1361485.15 1577246.384 10528626.08 8815386.086 1379235.894 1095063.897 1344130.598 1325552.547 1480542.425 SM d46:1 147680.9492 268752.4467 196982.3644 371162.4559 256507.0783 355444.3767 18921259.3 303499.0665 255213.309 519806.279 2380853.851 155098.1441 1455533.662 P1,P4-Bis(5'-uridyl) tetraphosphate 6501151.714 36829871.26 33881670.91 46695313.27 9097834.181 10007558.98 22784797.54 19970960.33 11257457.86 9712062.885 9465470.278 10004343.72 8344764.972 OxPC 38:5+4O(2Cyc) 443000.4906 418594.3942 1332726.676 692280.8031 697818.1286 537119.9084 370026.7095 514570.445 593859.3398 468830.0812 558028.7991 581542.4431 694139.9976 PG(a-15:0/LTE4 6886884.772 2771270.489 6417474.474 8179180.845 7123659.486 6616257.664 9758754.094 6121034.345 9222467.977 10062107.3 8050248.655 8027608.703 9853285.305 Diadenosine tetraphosphate 6886884.772 2771270.489 6712716.147 8179180.845 7123659.486 7404664.73 9758754.094 9207497.05 9222467.977 11044458.96 8050248.655 8027608.703 9853285.305 Prostaglandin H2 2-glyceryl Ester 22272111.77 15551099.04 16400145.26 25458549 18573830.05 19785599.68 32853802.56 19812776.34 41186350.64 23536329.13 14092937.38 29043926.25 32231804.22 Malonyl-CoA 409161.3525 414830.3622 409270.0085 377090.8821 415563.8588 404063.1294 412780.4804 414759.1925 403123.8675 433800.5871 446765.1761 441531.8303 433816.7849 Ganglioside GD1b (d18:1/12:0) 9069664.899 1202669.281 1244451.318 1450108.03 1434598.218 1396510.636 5255976.202 8227813.654 5763883.567 1489647.469 1409447.793 7804951.129 7433118.229 ADP 708232.0793 596100.8976 595972.7546 672581.435 668345.2957 686967.8711 1672788.449 672438.3734 2622294.35 5499708.217 717206.381 16053525.75 6180323.193 (2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate 469168.0122 1203502.035 1619727.867 1938423.925 880392.1539 443539.6993 210328.9165 2229752.92 686867.8684 1387308.183 1120221.48 943749.5874 283609.9019 myo-Inositol 1,4,5-trisphosphate 3281383.582 4409126.894 3512818.283 5283380.766 3977226.652 3257424.24 4386454.207 3785531.698 6958724.997 5361704.086 4467119.437 1831683.003 2908332.639 PA(20:3(5Z,8Z,11Z)/LTE4) 10841563.7 3274481.423 9314036.026 10218560.08 13861890.03 6136466.081 13187295.38 6629735.59 8580931.748 10143063.05 12369666.84 14511811.44 18053598.75 PGP(16:1(9Z)/16:1(9Z)) 10841563.7 3274481.423 9314036.026 10218560.08 16199439.31 6136466.081 13187295.38 6703582.708 5110979.418 8278888.888 12369666.84 14511811.44 18053598.75 PI 38:6 2191912.349 1589933.673 1743247.724 2761022.178 3014943.938 2266904.158 3052376.854 3353901.642 2837627.766 2411498.109 2220391.318 3862716.337 3023573.802 Ganglioside GD2 (d18:0/23:0) 8027781.241 13174948.1 34345758.73 11211094.07 6667575.688 11497378.7 43516521.14 39570788.66 42077413.06 40595993.76 35825683.87 50927776.49 47352456.11 N-Eicosapentaenoyl Glutamic acid 3568657.693 10655570.78 4175159.885 2395579.849 2242114.603 3224566.848 3754196.252 3881944.744 3239608.444 3377246.323 2038950.637 22492899.69 2731533.71 OxPG 40:6+4O 727433.6163 548190.546 667296.3635 1235747.082 1363617.63 1299037.396 1176218.515 1340071.758 1278611.756 1257754.513 1087631.455 1229046.246 1475606.369 PI(16:0/22:4(10Z,13Z,16Z,19Z)) 281074.8866 556654.7793 915400.1279 1036929.991 995859.2719 144577.6384 122370.7476 873421.7086 383748.1508 871365.5151 683393.3179 256267.3977 103945.9191 Diguanosine tetraphosphate 14995298.86 6702830.528 8682971.418 10176060.39 14207388.84 9038928.338 13222016.75 13095226.1 30098261.21 12040934.94 10862262.36 18846947.71 19436743.24 IDP 1573968.899 1468474.234 1410313.054 1930928.895 1892625.784 2419037.509 2104680.624 2664251.746 2461750.405 2137868.999 2060180.463 2085381.974 2313827.797 SM d48:3 312541.2608 368310.3551 371339.077 1174904.354 941094.9849 1459942.057 12937606.2 630861.758 481112.4837 2029450.022 1967498.885 416221.7347 1702174.5 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name m/z RT(min) Reference_Ion Acetate 61.0286 42.36 [M+H]+1 Urea 61.0398 5.43 [M+H]+1 8-Hydroxyguanine 64.0159 3.04 [M+H]+1 Cyclopentadiene 67.0543 2.84 [M+H]+1 Isoprene 69.0699 13.11 [M+H]+1 3-Aminopyrrolidine 70.0651 0.48 [M+H]+1 2-Methylpropionitrile 70.0652 0.70 [M+H]+1 Beta-Aminopropionitrile 71.0604 2.94 [M+H]+1 Acrylamide 72.0443 10.78 [M+H]+1 1-Ethylaziridine 72.0808 11.58 [M+H]+1 Enolaldehyde 73.0282 9.82 [M+H]+1 1-Butanal 73.0648 2.87 [M+H]+1 Canavalmine 73.0841 11.75 [M+H]+1 2-Iminoacetate 74.0237 16.76 [M+H]+1 Aminoacetone 74.0600 3.50 [M+H]+1 Methylguanidine 74.0712 11.31 [M+H]+1 2-Methylpropanamine 74.0963 6.77 [M+H]+1 Glycine 76.0392 45.25 [M+H]+1 Acetohydroxamic acid 76.0393 16.32 [M+H]+1 N-Monomethylethanolamine 76.0756 15.14 [M+H]+1 Trimethylsulfonium 77.0419 11.01 [M+H]+1 Ethylsulfenate 79.0211 3.32 [M+H]+1 Benzene 79.0542 3.69 [M+H]+1 Pyrimidine 81.0447 2.11 [M+H]+1 1,3,5-Hexatriene 81.0698 3.21 [M+H]+1 2,4-Diaminobutyric acid 82.0263 1.17 [M+H]+1 Acetamide 82.0525 44.25 [M+H]+1 O-ureido-D-serine 82.5370 26.09 [M+2H]+2 S-Nitrosohomocysteine 83.0205 15.82 [M+H]+1 Fomepizole 83.0603 44.99 [M+H]+1 Oxazine 84.0443 23.16 [M+H]+1 5-Aminoimidazole 84.0556 0.55 [M+H]+1 2-Methylbutyronitrile 84.0807 0.66 [M+H]+1 Pentadecylamine 84.0889 23.58 [M+H]+1 4-Hydroxy-2-butynal 85.0281 12.57 [M+H]+1 Imidazolone 85.0395 22.92 [M+H]+1 3-Methylbut-2-enal 85.0647 11.62 [M+H]+1 1,4-Diamino-2-butyne 85.0759 45.35 [M+H]+1 4-Methyl-1-pentene 85.1011 2.75 [M+H]+1 Acetone cyanohydrin 86.0600 1.35 [M+H]+1 tetrahydrotriazine 86.0712 9.47 [M+H]+1 Putrescine 86.0837 0.69 [M+H]+1 2-Methylpyrrolidine 86.0963 12.80 [M+H]+1 Piperidine 86.0964 3.12 [M+H]+1 2-Imidazolidone 87.0552 17.01 [M+H]+1 2-Methylbutanal 87.0804 2.87 [M+H]+1 2-Aminoprop-2-enoate 88.0392 17.09 [M+H]+1 4-Aminobutanal 88.0756 3.56 [M+H]+1 N-Ethylguanidine 88.0869 10.97 [M+H]+1 Glyoxime 89.0345 12.78 [M+H]+1 Isobutanoate 89.0595 37.66 [M+H]+1 Lactamide 90.0549 4.25 [M+H]+1 D-Alanine 90.0549 12.60 [M+H]+1 N-Dimethylethanolamine 90.0913 1.82 [M+H]+1 Iodoacetic acid 93.9645 12.08 [M+H]+1 1-Vinylimidazole 95.0601 17.81 [M+H]+1 Histamine 95.0603 16.77 [M+H]+1 Fumaronitrile 96.0555 44.78 [M+NH4]+1 Pyrimidin-5-amine 96.0555 0.69 [M+H]+1 2-Amino-4-methylpyridine 96.0681 44.83 [M+H]+1 1,1-Dichloro-2,2-difluoroethylene 96.9217 7.89 [M+H]+1 Pyrrolidine-2-carbonitrile 97.0760 0.68 [M+H]+1 1,2-Dimethylimidazole 97.0760 1.97 [M+H]+1 Phosphoramidate 98.0002 12.22 [M+H]+1 2-Hydroxypent-3-enenitrile 98.0600 1.89 [M+H]+1 2,3-Dihydro-4-pyrimidinamine 98.0712 16.95 [M+H]+1 5,5-Dimethyl-1-pyrroline 98.0963 0.40 [M+H]+1 Diallylamine 98.0964 3.16 [M+H]+1 4-Hydroxymethylimidazole 99.0552 22.90 [M+H]+1 (Z)-3-Hexanal 99.0804 0.88 [M+H]+1 PIPERIDIN-2-IMINE 99.0916 1.04 [M+H]+1 1H-Pyrrole-2,5-diol 100.0393 10.55 [M+H]+1 Cyclohexylamine 100.1119 6.75 [M+H]+1 N-Nitrosopyrrolidine (NPYR) 101.0708 13.20 [M+H]+1 Gyromitrin 101.0709 16.39 [M+H]+1 1-Aminopiperidine 101.1072 6.10 [M+H]+1 1-Aminocyclopropane-1-carboxylate 102.0549 16.83 [M+H]+1 2-Iminobutanoate 102.0549 3.48 [M+H]+1 (2Z)-2-Aminobut-2-enoate 102.0549 16.59 [M+H]+1 N,N-Dimethylbutylamine 102.1276 3.56 [M+H]+1 L-cycloserine 103.0501 0.70 [M+H]+1 N-Propylurea 103.0864 4.38 [M+H]+1 4-Aminobutanoate 104.0705 8.62 [M+H]+1 D-Alanine methyl ester 104.0705 3.93 [M+H]+1 Choline 104.1068 11.18 [M+H]+1 putrescine amine 104.1182 11.17 [M+H]+1 Glycolaldehyde 104.9922 44.51 [M+H]+1 Acetic acid 104.9922 12.80 [M+H]+1 D-Serine 106.0498 16.76 [M+H]+1 L-Serine 106.0498 17.09 [M+H]+1 DI(Hydroxyethyl)ether 107.0700 35.33 [M+H]+1 MALONONITRILE 108.0554 44.50 [M+ACN+H]+1 1H-Imidazo[1,2-b]pyrazole 108.0555 45.01 [M+H]+1 METHYL METHOXYACETATE (1,1,1-D3) 108.0735 3.60 [M+H]+1 1_2-Benzoquinone 109.0284 17.16 [M+H]+1 1_2-Diaminobenzene 109.0757 17.17 [M+H]+1 (Z)-2-Butenenitrile 109.0757 17.86 [M+ACN+H]+1 Vinylcyclohexene 109.1011 1.90 [M+H]+1 Tyrosol 4-sulfate 110.0199 10.37 [M+2H]+2 L-Leucine-p-nitroanilide 110.0200 14.80 [M+H]+1 2-Amino-4-methylpyrimidine 110.0712 45.30 [M+H]+1 2-Hydrazinopyridine 110.0713 42.11 [M+H]+1 Imidazole acetol-phosphate 111.0201 6.55 [M+2H]+2 Catechol 111.0440 9.64 [M+H]+1 N-Acetylimidazole 111.0552 42.70 [M+H]+1 2,4-Diaminopyrimidine 111.0664 44.94 [M+H]+1 1-ALLYL-2-PYRAZOLINE 111.0915 0.65 [M+H]+1 3-Propyl-1H-pyrazole 111.0916 0.35 [M+H]+1 Isocytosine 112.0505 11.89 [M+H]+1 Cytosine 112.0505 12.48 [M+H]+1 N-VINYL-2-PYRROLIDONE 112.0756 1.02 [M+H]+1 METHACRYLIC ACID ISOPROPYL ESTER-D1 112.0868 44.91 [M+H-H2O]+1 Selenium Sulfide 112.8956 12.25 [M+H]+1 Uracil 113.0344 45.00 [M+H]+1 N-methyl-beta-alanine 113.0708 16.68 [M+H]+1 1,4-Diazabicyclo[2.2.2]octane 113.1072 0.69 [M+H]+1 MFCD00084096 114.0379 9.41 [M+H]+1 Creatinine 114.0661 15.45 [M+H]+1 Caprolactam 114.0913 3.68 [M+H]+1 1-Ethyl-2-pyrrolidinone 114.0913 12.60 [M+H]+1 Acetone hydrazone 114.1025 0.92 [M+ACN+H]+1 L-prolinamide 114.1025 2.98 [M+H]+1 5,6-Dihydrouracil 115.0501 45.23 [M+H]+1 Leucine 115.0753 12.68 [M+H]+1 3-Amino-2-piperidone 115.0864 4.24 [M+H]+1 N-Mononitrosopiperazine 115.0865 0.66 [M+H]+1 Rhodanine 115.9640 7.23 [M+H]+1 Asparagine 116.0342 16.95 [M+H]+1 N-(1-METHYLPROPYL)ACETAMIDE 116.1069 3.56 [M+H]+1 1-Pyrrolidineethanol 116.1070 11.43 [M+H]+1 2-acetylthietane 117.0376 16.92 [M+H]+1 N,N'-Diacetylhydrazine 117.0657 45.12 [M+H]+1 1,6-Hexanediamine 117.1385 3.26 [M+H]+1 Betaine 118.0861 13.01 [M+H]+1 Adenine 119.0352 9.35 [M+H]+1 Hypoxanthine 119.0370 8.88 [M+H]+1 urea acetate 119.0451 45.24 [M+H]+1 L-2,4-Diaminobutanoate 119.0814 1.23 [M+H]+1 L-Threonine 120.0654 16.34 [M+H]+1 N-BENZYLIDENEMETHYLAMINE 120.0807 12.71 [M+H]+1 N,N-Dimethylformamide dimethyl acetal 120.1019 11.51 [M+H]+1 Phosphate 120.9661 23.08 [M+H]+1 1,4-Diamino-2-chloro-2-butene 121.0526 12.58 [M+H]+1 Ethylamine 121.9661 9.26 [M+H]+1 Chlormequat 122.0711 3.65 [M+H]+1 N,N-Dimethylaniline 122.0963 10.20 [M+H]+1 Diaminoguanidine 122.1044 2.84 [M+H]+1 Nicotinamide 123.0551 3.28 [M+NH4]+1 1-(2-Chloroethyl)aziridine 123.0682 11.88 [M+NH4]+1 Pyrovalerone 123.5941 19.33 [M+H]+1 Nicotinate 124.0393 11.98 [M+H]+1 2-(Difluoromethyl)arginine 124.0523 4.15 [M+H]+1 Pesticide4_Pyrimethanil_C12H13N3_2-Pyrimidinamine, 4,6-dimethyl- 124.0868 44.66 [M+H]+1 4-Dihydrocollidine 124.1120 11.96 [M+H]+1 4-Hydroxybenzyl alcohol 125.0597 11.59 [M+H]+1 4-Oxocyclohexanecarboxylate 125.0598 17.35 [M+H-H2O]+1 2,4-DIAMINOPHENOL 125.0708 45.04 [M+H]+1 Methylimidazoleacetaldehyde 125.0709 0.97 [M+H]+1 1,3,4,5-TETRAMETHYLPYRAZOLE 125.1071 2.56 [M+H]+1 N-Methylpyridinium 126.0913 11.59 [M+H+MeOH]+1 Nitrosoheptamethyleneimine 126.0914 11.55 [M+H]+1 3-Methylhistamine 126.1024 2.94 [M+H]+1 2-methylhistamine 126.1025 12.15 [M+H]+1 (R)-alpha-Methylhistamine 126.1025 3.20 [M+H]+1 Octahydroindolizine 126.1275 2.59 [M+H]+1 gamma-Coniceine 126.1276 8.49 [M+H]+1 3-Hydroxy-2-methyl-4-pyrone 127.0389 18.46 [M+H]+1 Phloroglucinol 127.0389 17.97 [M+H]+1 Thymine 127.0501 3.64 [M+H]+1 5-Amino-4-imidazolecarboxyamide 127.0614 9.27 [M+H]+1 2-Aminopyridine 127.0863 0.63 [M+H]+1 3,4-Diaminopyridine 127.0977 2.15 [M+H]+1 Serine 128.0318 16.43 [M+H]+1 2-Oxosuccinamate 128.0579 3.10 [M+H]+1 1-Piperideine-2-carboxylate 128.0705 9.65 [M+H]+1 Guanidinopropionic acid 128.0817 44.56 [M+H]+1 galegine 128.1180 0.56 [M+H]+1 L-Coniine 128.1432 3.14 [M+H]+1 D-2-Amino-hexano-6-lactam 129.1021 16.80 [M+H]+1 4-Piperidinecarboxamide 129.1021 9.20 [M+H]+1 5-Oxo-L-proline 130.0497 39.98 [M+H]+1 L-Pyroglutamic acid 130.0498 16.35 [M+H]+1 L-Lysine 130.0862 23.25 [M+H]+1 4-Trimethylammoniobutanal 130.1226 10.52 [M+H]+1 2,2-Dichloro-1,1-ethanediol 130.9664 3.62 [M+H]+1 L-Glutamic acid 131.0338 16.81 [M+H]+1 (3R,4R)-3-Amino-1-hydroxy-4-methylpyrrolidin-2-one 131.0815 0.66 [M+H]+1 Leucinamide 131.1179 12.68 [M+H]+1 trichloroethyl 131.9297 11.26 [M+H]+1 2-Chloroacetamide 131.9617 3.53 [M+H]+1 [Similar to: Creatine; ΔMass: -0.0203 Da] 132.0566 16.54 [M+H]+1 5-Aminolevulinate 132.0655 16.07 [M+H]+1 (S)-4-Amino-5-oxopentanoate 132.0655 12.33 [M+H]+1 2-Amino-4-oxopentanoate 132.0656 16.57 [M+H]+1 Dihydrouracil 132.0766 17.54 [M+H]+1 Creatine 132.0766 18.63 [M+H]+1 3-Guanidinopropanoate 132.0767 11.56 [M+H]+1 Isoleucine 132.1018 13.03 [M+H]+1 L-Isoleucine 132.1019 12.57 [M+H]+1 N-Carbamoylputrescine 132.1131 11.57 [M+H]+1 4-Hydroxy-2-oxopentanoate 133.0492 11.50 [M+H]+1 Glutarate 133.0494 9.57 [M+H]+1 7-Methylhypoxanthine 133.0521 2.15 [M+H]+1 L-Asparagine 133.0607 12.73 [M+H]+1 N,N′-Diethylthiourea 133.0800 17.02 [M+H]+1 1,2,3,4-Tetrahydronaphthalene 133.1011 2.79 [M+H]+1 1-Heptanethiol 133.1052 12.95 [M+H]+1 D-(-)-Aspartic acid 134.0447 17.09 [M+H]+1 5-Hydroxyindole 134.0600 2.18 [M+H]+1 4-methylthiobutanaldoxime 134.0633 16.39 [M+H]+1 2-Amino-4-methylsulfanylbutanal 134.0640 17.05 [M+H]+1 N-Hydroxy-L-valine 134.0811 3.65 [M+H]+1 Diisopropanolamine 134.1174 3.52 [M+H]+1 Glyceraldehyde 135.0027 12.96 [M+H]+1 Dihydroxyacetone 135.0027 16.94 [M+H]+1 Lactic acid 135.0028 16.63 [M+H]+1 Methoxyacetic acid 135.0220 15.25 [M+H]+1 3-hydroxytridecanoic acid 135.0789 43.77 [M+H]+1 1-Phenyl-1-propanone 135.0790 44.70 [M+ACN+H]+1 4-Hydroxybenzotriazole 136.0480 15.29 [M+H]+1 1-Hydroxybenzotriazole 136.0505 44.11 [M+H]+1 2-Hydroxymethylserine 136.0598 17.01 [M+H]+1 4-Aminobenzamidine 136.0868 0.59 [M+H]+1 Amphetamine 136.1120 3.13 [M+H]+1 Allopurinol 137.0457 9.61 [M+Na]+1 1-Methylnicotinamide 137.0708 11.58 [M+H]+1 Phenelzine 137.1073 42.79 [M+H]+1 β-Myrcene 137.1325 2.84 [M+H]+1 D-Proline 138.0525 13.91 [M+Na]+1 Anthranilic acid 138.0549 13.33 [M+H]+1 Anthranilate 138.0549 10.67 [M+H]+1 6-Aminonicotinamide 138.0661 44.83 [M+H]+1 2-Hydroxyphenethylamine 138.0913 11.50 [M+H]+1 2,4,6-triaminotoluene 138.1024 0.56 [M+H]+1 Succinamide 139.0478 16.30 [M+H]+1 Urocanic acid 139.0500 9.32 [M+H]+1 ISOPROPYL METHYLPHOSPHONATE 139.0522 9.17 [M+H]+1 5,7-Dihydro-4H-purin-8-ol 139.0613 0.70 [M+H]+1 2-(4-Hydroxyphenyl)ethanol(Tyrosol) 139.0752 11.61 [M+H]+1 2-Propylpyridine 139.1230 43.00 [M+H]+1 1,9-Decadiene 139.1480 2.80 [M+H]+1 Tramiprosate 140.0375 12.52 [M+H]+1 4-Mercapto-ethyl-pyridine 140.0535 8.80 [M+H]+1 5-Aminopentanoate 140.0681 13.23 [M+Na]+1 Imidazotetrazine 140.0681 13.38 [M+NH4]+1 Gabaculine 140.0706 10.74 [M+H]+1 Histidinal 140.0818 3.38 [M+H]+1 Tropinone 140.1068 3.01 [M+H]+1 Decanoylcholine 140.1150 2.81 [M+H]+1 N,N-Dimethylhistamine 140.1180 0.78 [M+H]+1 quinolizidine 140.1432 9.62 [M+H]+1 2-Amino-1,5-dihydro-4H-imidazol-4-one 141.0769 3.17 [M+ACN+H]+1 3-AMINO-5-TERT-BUTYLISOXAZOLE 141.1021 5.62 [M+H]+1 1beta-Methylcarbapenem 141.1021 11.04 [M+NH4]+1 1-Methyl 2-galloylgalactarate 141.1215 0.93 [M+ACN+H]+1 2,2'-BIPYRROLIDINE 141.1385 0.46 [M+H]+1 (1R)-1-Amino-2-sulfanylethanesulfinic acid 141.9990 10.93 [M+H]+1 6-Oxo-1,4,5,6-tetrahydronicotinate 142.0498 8.15 [M+H]+1 L-Hypoglycin 142.0862 10.48 [M+H]+1 Histidinol 142.0974 0.69 [M+H]+1 Hygrine 142.1225 6.74 [M+H]+1 (+)-N-Methylconiine 142.1590 42.87 [M+H]+1 2,5-Diamino-4,5-diketopyrimidine 143.0562 1.68 [M+H]+1 Ectoine 143.0815 12.74 [M+H]+1 1-ACETYL-4-METHYLPIPERAZINE 143.1178 12.86 [M+H]+1 DIMETHYLHYDRAZONE METHYLISOBUTYLKETONE 143.1542 43.54 [M+H]+1 methoprolol 144.0655 17.22 [M+H]+1 L-Stachydrine 144.1018 12.92 [M+H]+1 Stachydrine 144.1018 11.94 [M+H]+1 Valpromide 144.1382 2.63 [M+H]+1 1,1,2-Trichloropropene 144.9380 11.19 [M+H]+1 Ethephon 144.9820 2.84 [M+H]+1 D-sedoheptulose-1,7-bisphosphate 144.9820 3.21 [M+ACN+H]+1 (R)-3-Methylitaconate 145.0494 9.86 [M+H]+1 3-HYDROXYMETHYL-2,5-PIPERAZINEDIONE 145.0607 45.44 [M+H]+1 Isovalerylurea 145.0970 0.69 [2M+H]+1 L-isoglutamine 145.0970 45.13 [M+H]+1 4-Guanidinobutanamide 145.1081 12.79 [M+H]+1 N-Acetylcadaverine 145.1335 11.43 [M+H]+1 1-8-diaminooctane 145.1698 4.81 [M+H]+1 N,N,N',N'-TETRAMETHYL-1,3-DIAMINOBUTANE 145.1698 7.90 [M+H]+1 (S)-2-Amino-6-oxohexanoate 146.0811 12.58 [M+H]+1 4-Guanidinobutanoate 146.0922 4.55 [M+H]+1 3-Dehydroxycarnitine 146.1174 17.07 [M+H]+1 Acetylcholine 146.1175 16.00 [M+H]+1 4-(3-Hydroxypropyl)morpholine 146.1175 3.21 [M+H]+1 2-Methyl-4-heptanone 146.1506 44.63 [M+3H]+3 Spermidine 146.1650 12.98 [M+NH4]+1 2-Oxoglutarate 147.0287 23.14 [M+H]+1 L-Glutamine 147.0763 16.48 [M+H]+1 Ureidoisobutyric acid 147.0763 16.95 [M+NH4]+1 Benzylidenacetone 147.0802 2.53 [M+H]+1 4-Phenyl-3-buten-2-one 147.0802 2.37 [M+H]+1 L(-)-Pipecolinic acid 147.1128 22.20 [M+NH4]+1 2-Methylthiazolidine-4-carboxylic acid 148.0426 17.48 [M+H]+1 5,6-Dimethylbenzotriazole 148.0868 0.69 [M+H]+1 1-Methyl-1,2,3,4-tetrahydroisoquinoline 148.1119 9.66 [M+H]+1 hepta-2,5-dienoic acid 149.0574 17.07 [M+H]+1 trans-Cinnamate 149.0596 2.63 [M+H]+1 L-Phenylalanine 149.0597 12.70 [M+H]+1 Ethyl 3-(Methylthio)propionate 149.0637 16.86 [M+H]+1 N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMIDE 149.0821 22.21 [M+H-H2O]+1 Pyruvic acid 149.0821 23.12 [M+H]+1 Leucylleucine methyl ester 149.0946 44.95 [M+H]+1 p-Cumic aldehyde 149.0960 2.66 [M+H]+1 L-(-)-Methionine 150.0582 13.46 [M+NH4]+1 L-Methionine 150.0582 5.02 [M+H]+1 N-Palmitoyl Cysteine 150.0635 16.60 [M+H]+1 N,N-Dihydroxy-L-valine 150.0760 16.89 [M+H]+1 D-Cathinone 150.0913 10.67 [M+H]+1 1-Benzylguanidine 150.1023 5.66 [M+H]+1 2,6-Diethylaniline 150.1275 2.91 [M+H]+1 Phentermine 150.1276 9.26 [M+H]+1 N-BUTYLANILINE 150.1276 9.58 [M+H]+1 2,2,3,3,3-Pentafluoro-1-propanol 151.0170 16.51 [M+H]+1 TRIETHYLENE GLYCOL 151.0964 1.82 [M+H]+1 4-CYCLOHEXENYL-3-METHYLBUTENE 151.1479 2.59 [M+H]+1 Guanine 152.0565 12.75 [M+H]+1 N-Methylanthranilate 152.0705 11.62 [M+H]+1 Imidazole-4-acetaldehyde 152.0817 0.69 [M+ACN+H]+1 4-Aminobenzohydrazide 152.0817 44.83 [M+H]+1 N-Methylphenylethanolamine 152.1070 0.79 [M+H]+1 Amantadine 152.1432 2.95 [M+H]+1 Glycolic acid 152.9359 6.93 [M+H]+1 2,2-Dichloro-1,1,1-trifluoroethane 152.9483 13.14 [M+H]+1 3-Mercapto-2-mercaptomethylpropanoate 153.0044 7.34 [M+H]+1 Xanthine 153.0406 10.53 [M+H]+1 1-Methylhistidine 153.0657 17.82 [M+H]+1 indole-3-acetyl-leucine 153.0899 33.65 [M+H]+1 Phenylacetaldehyde 153.0909 2.89 [M+H+MeOH]+1 5-METHYL-2-BUTYRYLFURAN 153.0910 11.56 [M+H]+1 3-(4-Hydroxyphenyl)-1-propanol 153.0910 42.25 [M+H]+1 Glycerol 153.1133 0.36 [M+H]+1 Succinyl chloride 153.9788 13.33 [M+H]+1 Dopamine 154.0862 3.01 [M+H]+1 1-[2-(1H-Imidazol-4-yl)ethyl]guanidine 154.1088 15.30 [M+H]+1 2-Azaspiro[4.5]decan-3-one 154.1225 3.51 [M+H]+1 Decanenitrile 154.1589 3.09 [M+H]+1 Propanoyl phosphate 155.0103 12.49 [M+H]+1 Acipimox 155.0426 16.74 [M+H]+1 Ureidopropionic acid 155.0426 16.97 [M+H]+1 3-Ureidopropionic acid 155.0427 16.48 [M+H]+1 Hydroxytyrosol 155.0702 10.77 [M+H]+1 6-n-Propyluracil 155.0813 44.84 [M+H]+1 Histidine 155.0925 6.10 [M+H]+1 2-Nonenal, 4-oxo- 155.1065 2.83 [M+H]+1 Milameline 155.1178 42.70 [M+H]+1 Guancidine 155.1289 0.38 [M+H]+1 (3R)-Linalool 155.1430 11.59 [M+H]+1 Pyrrole, 2-pentyl 155.1542 3.17 [M+NH4]+1 [Similar to: DMH; ΔMass: -246.1176 Da] 156.0266 16.70 [M+H]+1 (R)-1-Amino-2-propanol O-2-phosphate 156.0420 13.19 [M+H]+1 methoxycatecholamine 156.0654 7.96 [M+H]+1 L-Histidine 156.0766 17.33 [M+H]+1 2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid 156.1019 10.67 [M+H]+1 2,2,6,6-TETRAMETHYL-4-PIPERIDONE 156.1381 2.80 [M+H]+1 Propylhexedrine 156.1745 6.77 [M+H]+1 2-Phosphoglycolate 156.9905 12.18 [M+H]+1 2,5-Furandicarboxylic acid 157.0130 35.24 [M+H]+1 Pyrazine diazohydroxide 157.0718 3.05 [M+H+MeOH]+1 4,4'-Bipyridine 157.0759 12.68 [M+H]+1 (2-Ethylcrotonoyl)urea 157.0970 3.28 [M+H]+1 DELTA-NONALACTONE 157.1221 0.57 [M+H]+1 N-(3-(Dimethylamino)propyl)acrylamide 157.1334 0.53 [M+H]+1 N-(3-AMINOPROPYL)CYCLOHEXYLAMINE 157.1698 9.11 [M+H]+1 1,4-Dihydropyridine 157.9745 8.36 [M+H]+1 5-CHLORO-2-DIMETHYLAMINOPYRIMIDINE 158.0479 10.30 [M+H]+1 N-Methylbenzylamine Hydrochloride 158.0731 11.75 [M+H]+1 L-Citrulline 158.0923 3.56 [M+H-H2O]+1 Tranexamic Acid 158.1175 2.95 [M+H]+1 2,2,6,6-Tetramethyl-4-piperidinol 158.1539 13.07 [M+H]+1 N-Nitrosodibutylamine 158.1651 22.21 [M+H]+1 Bromine 158.8437 12.03 [M+H]+1 PFCA-perfluoroalkyl_Hsubstituted_1DB; C4H2F4O2 159.0062 16.34 [M+H]+1 (S)-(+)-Allantoin 159.0512 10.18 [M+H]+1 Oxiracetam 159.0763 16.91 [M+H]+1 1-Benzylimidazole 159.0915 12.61 [M+H]+1 1-Phenyl-1-cyclohexene 159.1167 2.65 [M+H]+1 Nonanoicacid 159.1378 2.82 [M+H]+1 Monopropionylcadaverine 159.1492 11.71 [M+H]+1 IODOETHANE (2,2,2-D3) 159.9700 0.41 [M+H]+1 4-amino-2-methyl-5-diphosphomethylpyrimidine 159.9901 16.82 [M+H]+1 3-Methyl-quinolin-2-ol 160.0756 11.21 [M+H]+1 5-Acetamidovalerate 160.0967 16.83 [M+H]+1 8-Aminooctanoic acid 160.1330 3.23 [M+H]+1 L-2-Aminooctanoic acid 160.1330 15.09 [M+H]+1 Acetyl-β-methylcholine 160.1331 14.52 [M+H]+1 Aminopropylcadaverine 160.1809 11.70 [M+H]+1 1,1,1-Trichloroacetone 160.9330 11.30 [M+H]+1 Hydralazine 161.0820 45.37 [M+H]+1 6-Oxopiperidine-2-carboxylic acid 161.0920 6.79 [M+NH4]+1 D-Alanyl-D-alanine 161.0920 11.59 [M+H]+1 Emeriamine 161.1284 20.89 [M+H]+1 N(6)-Methyllysine 161.1285 20.22 [M+H]+1 3-Amino-2,3-dideoxy-scyllo-inosose 162.0759 12.56 [M+H]+1 fenamole 162.0771 0.87 [M+H]+1 L(-)-Carnitine 162.1123 16.92 [M+H]+1 D-Carnitine 162.1124 22.04 [M+H]+1 (S)-Carnitine 162.1124 42.76 [M+H]+1 WY2675000 162.9040 6.86 [M+H]+1 Phosphoroselenoic acid 162.9040 6.19 [M+H]+1 2-Pentanone 162.9925 0.72 [M+H]+1 NP-019636 163.0388 2.40 [M+H]+1 (S)-2-Hydroxymethylglutarate 163.0600 9.54 [M+H]+1 Glutamine hydroxamate 163.0713 17.27 [M+H]+1 cis-Naphthalene dihydrodiol 163.0754 11.70 [M+H]+1 Valerophenone 163.1116 2.69 [M+H]+1 (S)-1-Methoxy-3-heptanethiol 163.1158 16.80 [M+H]+1 (S)-Nicotine 163.1228 9.99 [M+H]+1 Dipropylene glycol dimethyl ether 163.1326 3.36 [M+H]+1 3-phospho-hydroxypyruvate 163.9540 12.91 [M+H]+1 4-Amino-3-hydroxybutyrate 164.0293 16.10 [M+ACN+H]+1 Ethionine 164.0738 3.07 [M+H]+1 1-Methoxymethylbenzotriazole 164.0819 17.87 [M+H]+1 2-Deoxy-scyllo-inosamine 164.0917 18.96 [M+H]+1 (R)-2-Methylimino-1-phenylpropan-1-ol 164.1070 42.53 [M+H]+1 Mephentermine 164.1433 6.03 [M+H]+1 4-Pentylaniline 164.1433 9.29 [M+H]+1 Keto-L-rhamnulose 165.0757 8.46 [M+H]+1 4-Morpholinopyridine 165.1022 4.15 [M+H]+1 1-Pyrimidinylpiperazine 165.1132 2.62 [M+H]+1 2-(1-Piperazinyl)pyrimidine 165.1132 0.56 [M+H]+1 3,6-Dihydronicotine 165.1386 9.74 [M+H]+1 2-Hydroxy-L-methionine 166.0531 16.95 [M+H]+1 N,4-Dinitroso-N-methylaniline 166.0608 44.89 [M+H]+1 1-Hydroxy-2-pentanone 166.0837 13.09 [M+H]+1 Mevalonic acid 166.1086 6.05 [M+H]+1 Hordenine 166.1227 10.26 [M+H]+1 3-(3-Hydroxyphenyl)propanoate 167.0702 2.86 [M+H]+1 2-CHLOROMETHYL-1,3,DIMETHOXY-2-METHYL-PROPANE 167.0831 2.98 [M+H]+1 (2R,3R,4R)-Hexane-1,2,3,4,6-pentol 167.0913 11.92 [M+H]+1 5-Methylcytosine 167.0924 44.90 [M+ACN+H]+1 4-ETHOXY-2-ETHYL-6-METHYLPRIMIDINE 167.1178 2.93 [M+H]+1 4-Methylhistamine 167.1289 0.80 [M+H]+1 4-Methylamphetamine 167.1540 0.69 [M+H]+1 Methamphetamine 167.1541 42.73 [M+H]+1 (-)-Deoxyephedrine 167.1542 43.19 [M+H]+1 acetyltaurine 168.0324 11.67 [M+H]+1 Pyridoxal 168.0655 17.29 [M+H]+1 2,4-Diamino-6-nitrotoluene 168.0765 44.90 [M+H]+1 3-hydroxynonanoyl carnitine 168.1260 18.78 [M+H]+1 (9Z)-(13S)-12,13-epoxyoctadeca-9,11-dienoate 168.1261 11.41 [M+H]+1 1-Cyclohexylpyrrolidin-2-one 168.1382 4.12 [M+H]+1 Arachidic acid 168.1494 6.57 [M+H]+1 2-DIMETHYLAMINO-5-NITROPYRIMIDINE 169.0719 9.33 [M+H]+1 (-)-Norephedrine 169.1333 6.61 [M+H]+1 2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamide 169.1334 3.23 [M+H]+1 4-(trifluoromethyl)nicotinic acid 170.0422 16.82 [M+H]+1 L-Glutamate 170.0423 16.41 [M+H]+1 Aminohydroxyacetic acid 170.0480 13.14 [M+H]+1 5-Hydroxyuracil 170.0558 0.70 [M+H]+1 4-Hydroxy-5-[(E)-(hydroxymethylene)amino]-6-iminio-2-imino-1,2,5,6-tetrahydropyrimidin-5-ide 170.0674 10.43 [M+H]+1 Dihydrothymine 170.0923 11.27 [M+ACN+H]+1 N1-Methyl-2-pyridone-5-carboxamide 170.0923 17.25 [M+NH4]+1 3-Methylhistidine 170.0923 17.13 [M+H]+1 Ipronidazole 170.0923 17.83 [M+H]+1 Diacetone acrylamide 170.1174 3.21 [M+H]+1 Cyclohexane-1-carboxylate 170.1175 0.79 [M+ACN+H]+1 N,N-Dimethylacetamide 170.1287 13.19 [M+H]+1 Lupinine 170.1538 9.74 [M+H]+1 METHYL DICHLOROPYRUVATE 170.9609 12.22 [M+H]+1 Levetiracetam 171.1127 4.34 [M+H]+1 4-Decenoic acid, (4E)- 171.1378 2.65 [M+H]+1 Isophorondiamine 171.1854 13.00 [M+H]+1 Metronidazole 172.0716 0.70 [M+H]+1 N-Butyryl-L-homoserinelactone 172.0965 8.73 [M+H]+1 Butyric acid 172.1078 0.70 [M+H]+1 Moroxydine 172.1191 9.82 [M+H]+1 Gabapentin 172.1330 2.82 [M+H]+1 sn-Glycerol 1-phosphate 173.0208 17.17 [M+H]+1 Gly-Pro(Glycylproline) 173.0920 17.02 [M+H]+1 1,1,6-Trimethyl-1,2-dihydronaphthalene 173.1324 2.64 [M+H]+1 N6_N6_N6-Trimethyl-L-lysine 173.1647 11.01 [M+H]+1 N,N,N',N'-Tetramethyl-1,6-hexanediamine 173.2010 0.83 [M+H]+1 (R)-5-Diphosphomevalonic acid 173.9847 22.93 [M+H]+1 Guanosine diphosphate 173.9847 13.24 [M+H]+1 Sulfanilic acid 174.0219 8.88 [M+H]+1 N-Acetyl-L-glutamate 5-semialdehyde 174.0760 9.61 [M+H]+1 4-Imidazolone-5-propanoate 174.0872 17.00 [M+NH4]+1 5-Guanidino-2-oxopentanoate 174.0872 17.50 [M+H]+1 N-Acetyl-L-tyrosine 174.0897 0.61 [M+ACN+H]+1 4-Piperidinol, 1-hydroxy-2,2,6,6-tetramethyl- 174.1487 3.22 [M+H]+1 S-Propyl hexanethioate 175.1159 8.15 [M+H]+1 L-Arginine 175.1188 22.89 [M+H]+1 Ethyl lysine 175.1439 20.17 [M+H]+1 phosphoadenosine-5'-phosphosulfate 175.9851 8.31 [M+H]+1 2-CHLORO-5-NITROPYRIDINE 176.0229 42.39 [M+NH4]+1 [FAamino_oxo(6:0/2:0)]2-amino-3-oxo-hexanedioicacid 176.0552 23.37 [M+H]+1 Guanidinosuccinic acid 176.0657 13.26 [M+H]+1 L-(+)-Citrulline 176.1029 16.92 [M+H]+1 4-Dimethylaminocinnamaldehyde 176.1054 44.95 [M+H]+1 N-(2-Hydroxypropyl)valine 176.1280 10.49 [M+H]+1 Carboxynorspermidine 176.1392 12.90 [M+H]+1 1-Phenylcyclohexylamine 176.1431 43.12 [M+H]+1 Methylenediphosphonic acid 176.9718 0.69 [M+H]+1 2-[(1,3-thiazol-2-ylamino)methylidene]malononitrile 177.0246 16.51 [M+H]+1 N,N-dihydroxy-L-tyrosine 177.0434 3.74 [M+H]+1 3-oxoindane-1-carboxylic acid 177.0545 2.59 [M+H]+1 Ethylenediamine-N,N'-diacetic acid 177.0869 16.70 [M+H]+1 2-Methylpyridine 177.1133 0.69 [M+H]+1 1-Benzylpiperazine 177.1385 9.59 [M+H]+1 1,2,3-TRIMETHOXYHEXANE 177.1484 3.04 [M+H]+1 D-ribulose-1,5-bisphosphate 177.9796 0.69 [M+H]+1 L-Aspartic acid 178.0085 17.06 [M+H]+1 Sulforaphane 178.0354 11.55 [M+H]+1 Captamine, TMS derivative 178.1071 16.66 [M+H]+1 1-Phenylbiguanide 178.1086 2.84 [M+H]+1 2-Phenyl-4-pentenal 178.1225 12.70 [M+NH4]+1 N-Methylnicotinium 178.1436 3.41 [M+H]+1 N-Propylamphetamine 178.1588 45.37 [M+H]+1 Methionol, TMS derivative 179.0925 45.03 [M+H]+1 DIISOBUTYL DISULFIDE 179.0925 45.40 [M+H]+1 4-Isobutylbenzoic acid 179.1065 2.61 [M+H]+1 (3-Aminopropyl)(n-butyl)phosphinic acid 179.1308 8.29 [M+H]+1 Propofol 179.1429 2.80 [M+H]+1 5-Methyl-3-isoxazolylsulfate 179.9959 16.67 [M+H]+1 2-Aminobenzoylacetate 180.0654 9.79 [M+H]+1 9-Ethylguanine 180.0878 2.17 [M+H]+1 Salsolinol 180.1018 2.96 [M+H]+1 1-Butanethiol, TMS derivative 180.1243 41.91 [M+NH4]+1 Hexamethylphosphoramide 180.1260 12.97 [M+H]+1 [Similar to: Bis(2-butoxyethyl) ether; ΔMass: -39.0361 Da] 180.1593 3.34 [M+H]+1 Rimantadine 180.1745 5.85 [M+H]+1 4-(N-TRIFLUOROACETYL)AMINO-1,2,4-TRIAZOLE 181.0331 10.08 [M+H]+1 D-Glucopyranose 181.0718 44.97 [M+H]+1 5-Hydroxykynurenamine 181.0971 8.63 [M+H]+1 2-HEPTANOYLFURAN 181.1221 2.69 [M+H]+1 Rilmenidine 181.1335 42.50 [M+H]+1 n-octylimidazole 181.1697 3.51 [M+H]+1 1-HEXYL-3,5-DIMETHYLPYRAZOLE 181.1697 5.84 [M+H]+1 Acamprosate 182.0481 11.59 [M+H]+1 Succinimide 182.0922 0.69 [M+H]+1 2-Amino-6-methyl-2,3,6,7-tetrahydro-1H-pteridin-4-one 182.1036 9.55 [M+H]+1 3,4-DHMA 182.1151 15.94 [M+H]+1 p-Cumate 182.1173 42.21 [M+NH4]+1 (2E,6Z)-N-Ethyl-2,6-nonadienamide 182.1538 2.96 [M+H]+1 4-Octyl-2H-triazole 182.1651 3.16 [M+H]+1 Dicyclohexylamine 182.1903 43.86 [M+H]+1 Penclomedine 182.9640 15.62 [M+Na]+1 Galactitol 183.0862 16.27 [M+H]+1 Dacarbazine 183.0990 3.48 [M+H]+1 MLS002706482-01! 183.1015 2.93 [M+H]+1 2-Oxo-delta3-4_5_5-trimethylcyclopentenylacetate 183.1015 2.69 [M+H]+1 Carcinine 183.1238 0.52 [M+H]+1 Diallylcyanamide 183.1492 10.14 [M+H]+1 N-Methylpiperidine 183.1620 0.40 [M+H]+1 Anandamide 183.1621 8.34 [M+H]+1 Geosmin 183.1744 17.59 [M+H]+1 6-Hydroxy-5-fluorocytosine 183.9928 0.69 [M+H]+1 L-Homocysteicacid 184.0273 7.25 [M+H]+1 Cholinesulfate 184.0637 8.92 [M+H]+1 Cholinephosphate 184.0731 20.09 [M+H]+1 O-Ureidohomoserine 184.0902 14.48 [M+H]+1 L-Carnitine 184.0943 16.59 [M+H]+1 N-(2-Hydroxyethyl)valine 184.0943 15.88 [M+Na]+1 Polystyrene sulfonate 185.0268 7.42 [M+H]+1 2-CHLORO-5-DIMETHYLAMINOMETHYLENEAMINOPYRIMIDINE 185.0589 13.46 [M+H]+1 Terbuthylazine-TP MT23 (LM5) 185.1032 24.30 [M+H]+1 Phenyl valerate 185.1146 43.27 [M+H]+1 5-Phenylvaleric acid 185.1146 2.46 [M+H]+1 Valylglutamine 185.1148 8.70 [M+H]+1 Dicyclopropylmethanol, TMS derivative 185.1358 9.41 [M+H]+1 1-BUTYL-3,5-DIMETHYLPYRAZOLE 185.1647 0.91 [M+H+MeOH]+1 5-Aminopentanal 185.1648 43.23 [M+H]+1 Dodecylaldehyde 185.1899 2.81 [M+H]+1 DIISOBUTYLHYDRAZONE ACETONE 185.2012 16.88 [M+H]+1 O-Phenylhydroxylamine 185.9645 11.19 [M+H]+1 Propionylcarnitine 186.1123 13.24 [M+H]+1 Ecgonine 186.1124 2.70 [M+H]+1 1-Methylpiperidin-4-yl butanoate 186.1487 2.65 [M+H]+1 N-Methylputrescine 186.1682 43.17 [M+H]+1 Methylthiouracil 186.9951 42.69 [M+H]+1 3-Phospho-D-glycerate 187.0009 17.00 [M+H]+1 1,3-Dichloroacetone 187.0303 16.51 [M+H]+1 Vanillin glucuronide 187.0303 16.70 [M+H]+1 5-Methylthioribose 187.0623 13.49 [M+H]+1 6-CHLORO-3,7-DIMETHYL-2,7-OCTADIENAL 187.0883 2.71 [M+H]+1 1-Methylcyclohexane-1,2-dicarboxylic acid 187.0965 0.75 [M+H]+1 Methyl L-leucinate 187.1439 3.22 [2M+Na]+1 Loline 187.1439 3.02 [M+H+MeOH]+1 1-Hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide 187.1439 5.52 [M+H]+1 bis-(acetyl)diaminopentane_major 187.1439 3.22 [M+H]+1 (S)-3-Sulfonatolactate 188.0242 12.78 [M+H]+1 Dihydroxyacetone phosphate 188.0351 13.49 [M+H]+1 trans-3-Indoleacrylic acid 188.0680 12.65 [M+H]+1 2-Keto-6-acetamidocaproate 188.0917 12.39 [M+H]+1 1,2,4-Benzotriazin-3-amine 188.0928 45.18 [M+ACN+H]+1 6-Phenyl-1,3,5-triazine-2,4-diamine 188.0929 44.95 [M+H]+1 8-Amino-7-oxononanoate 188.1280 2.66 [M+H]+1 N1-Acetylspermidine 188.1755 23.22 [M+H]+1 2-Chloro-5-methyl-cis-dienelactone 188.9956 0.71 [M+H]+1 (2-Methylphenyl) Dihydrogen Phosphate 189.0303 13.79 [M+H]+1 Plumbagin 189.0543 23.27 [M+H]+1 methyl 3,4,5-trihydroxycyclohexene-1-carboxylate 189.0768 4.19 [M+H]+1 Homoarginine 189.1345 14.91 [M+H]+1 N6,N6,N6-Trimethyl-L-lysine 189.1596 20.54 [M+H]+1 Pyroglutamic acid 190.1086 3.09 [M+H]+1 L-Homocitrulline 190.1184 17.00 [M+H]+1 2,4-Dichlorobenzoate 190.9667 10.69 [M+H]+1 Carglumic acid 191.0661 18.14 [M+H]+1 Monobutyl phthalate 191.0703 2.60 [M+H]+1 2,4-Dimethoxyquinazoline 191.0814 11.59 [M+H]+1 meso-Diaminopimelate 191.1026 17.11 [M+H]+1 Dihydralazine 191.1037 5.01 [M+H]+1 MG 6:0 191.1279 2.62 [M+H]+1 5-METHYL-5-PHENYL-3-HEXANONE 191.1429 2.63 [M+H]+1 1,1-Dimethyl-4-phenylpiperazinium 191.1542 43.45 [M+H]+1 3,7-DIMETHYL-1,2,3-OCTANETRIOL 191.1640 2.72 [M+H]+1 3,4-Dichloronitrobenzene 191.9619 6.49 [M+H]+1 phosphoenol pyruvate 191.9800 16.22 [M+H]+1 N-(2,3-Dihydroxypropyl)valine 192.1236 2.90 [M+H]+1 Phendimetrazine 192.1380 8.63 [M+H]+1 Glutarate semialdehyde 192.9613 12.92 [M+H]+1 S-Nitroso-N-acetylcysteine 193.0277 7.37 [M+H]+1 Ser-Ser 193.0819 16.76 [M+H]+1 1,9-Nonanedithiol 193.1082 4.79 [M+H]+1 Etimizol 193.1083 4.49 [M+H-H2O]+1 Amiflamina 193.1698 3.23 [M+H]+1 5-Phosphoribosylamine 194.0222 13.63 [M+H]+1 2-Methylhippuricacid 194.0810 9.27 [M+H]+1 Phenylacetylglycine 194.0811 9.54 [M+H]+1 3-(Butylsulfinyl)-L-alanin 194.0845 2.91 [M+H]+1 (2r,3r,5s,6r)-2,6-Bis(hydroxymethyl)piperidine-3,4,5-triol 194.1034 5.84 [M+H]+1 3-(6-Amino-1H-purin-1-yl)-1-propanol 194.1036 7.34 [M+H]+1 (-)-Salsoline 194.1174 4.66 [M+H]+1 Alvameline 194.1398 0.53 [M+H]+1 Dimethylurea 194.1649 0.69 [M+H]+1 quinoxaline-2,3-dithiol 195.0030 16.28 [M+H]+1 1-Deoxy-D-manno-heptulose 195.0861 9.87 [M+H]+1 4-Ethoxy ethylbenzoate 195.1015 2.59 [M+H]+1 Methoxyeugenol 195.1015 2.76 [M+H]+1 PEG-4 195.1225 4.15 [M+H]+1 Azimexon 195.1240 17.26 [M+H]+1 N-(1-Adamantyl)urea 195.1491 42.57 [M+H]+1 L-Aspartyl-4-phosphate 196.0037 13.27 [M+ACN+H]+1 6-(Hydroxymethyl)-7,8-dihydropterin 196.0827 9.39 [M+H]+1 2-Amino-4-hydroxy-6,7-dimethyl-5,6,7,8-tetrahydropteridine 196.1190 44.81 [M+H]+1 Dolichotheline 196.1442 3.21 [M+H]+1 1-Amino-3-hydroxymethyl-5-methyl-adamantane 196.1695 9.05 [M+H]+1 2-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanedial 197.0006 44.32 [M+H-H2O]+1 Phosphovanillin 197.0006 12.91 [M+H]+1 Aconitic acid 197.0007 14.73 [M+Na]+1 Phlorisobutyrophenone 197.0807 4.94 [M+H]+1 N-Methyl-L-threonine 197.0896 16.02 [M+H]+1 2-Propenoic acid, 2-methyl-, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester 197.1171 2.86 [M+H]+1 Cyclo(L-prolyl-L-valyl) 197.1283 2.90 [M+H]+1 [3-[(2R,6S)-2,6-Dimethylpiperidin-1-yl]-4H-oxadiazol-3-ium-5-ylidene]azanide 197.1395 6.12 [M+H]+1 YD4593000 197.1899 2.68 [M+H]+1 L-Dopa 198.0759 3.40 [M+H]+1 [Similar to: L-(+)-Citrulline; ΔMass: 21.9940 Da] 198.0970 16.54 [M+H]+1 hercynine 198.1235 16.33 [M+H]+1 Azacyclotridecan-2-one 198.1850 8.66 [M+H]+1 Guanethidine 198.2088 12.78 [M+H]+1 [Similar to: N,N'-Bis(2,2,6,6-tetramethyl-4-piperidyl)-N,N'-diformylhexamethylenediamine; ΔMass: -253.1918 Da] 198.2089 22.31 [M+H]+1 2-Oxo-3-(phosphonooxy)propyl formate 199.0010 43.39 [M+H]+1 (2R,3S)-2,3-dimethylmalate 199.0011 8.98 [M+ACN+H]+1 2-Fluoro-5-hydroxy-L-phenylalanine 199.0882 16.64 [M+H]+1 SK and F 91581 199.1011 11.92 [M+H]+1 Metharbital 199.1075 3.20 [M+H]+1 4-(4-Methylcyclohexyl)-4-oxobutanoic acid 199.1328 2.66 [M+H]+1 Pesticide3_Cycluron_C11H22N2O_3-Cyclooctyl-1,1-dimethylurea 199.1803 13.28 [M+H]+1 Cycluron 199.1804 10.81 [M+H]+1 TRIDECANAL 199.2055 2.82 [M+H]+1 Etheno adenosine triphosphate 199.9905 16.63 [M+H]+1 Phenylacetic acid 200.0682 15.44 [M+H]+1 Metribuzin-desamino 200.0850 12.93 [M+H]+1 DIETHYL ACETAMIDOMALONATE 200.0916 11.56 [M+H-H2O]+1 Imidazole 200.0917 11.69 [2M+ACN+Na]+1 Ecgoninemethylester 200.1279 12.96 [M+H]+1 Norspermidine 200.1361 2.88 [M+H+MeOH]+1 Diethylcarbamazine 200.1757 8.40 [M+H]+1 Dodecanamide 200.2007 42.66 [M+H]+1 5-Methylangelicin 201.0538 3.26 [M+H]+1 TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ACID DIMETHYL ESTER 201.1120 2.66 [M+H]+1 Cyclohexanecarboxylic acid, TMS derivative 201.1312 2.71 [M+H]+1 Dimethyl suberimidate 201.1595 3.24 [M+H]+1 6-Thioxanthine 5'-monophosphate 202.0061 16.00 [M+H]+1 Penicillanic acid 202.0532 7.28 [M+H]+1 L-dihydroanticapsin 202.1071 10.69 [M+H]+1 Capryloylglycine 202.1435 2.77 [M+H]+1 Putreanine 202.1547 13.02 [M+H]+1 11-aminoundecanoicacid 202.1799 2.71 [M+H]+1 3-BROMO-4,6-DIMETHYL-2-PYRONE 202.9692 21.99 [M+H]+1 5-Chloroorsellinic acid 203.0115 0.69 [M+H]+1 D-Erythritol4-phosphate 203.0321 42.09 [M+H]+1 Diphenylsulfoxide 203.0524 13.30 [M+H]+1 3,5-Dioxooctanedioic acid 203.0550 8.53 [M+H]+1 alpha_beta-Didehydrotryptophan 203.0814 12.59 [M+H]+1 Proclavaminicacid 203.1036 1.11 [M+H]+1 Purine 203.1038 3.26 [M+H]+1 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 203.1138 20.57 [M+H]+1 L-Alanyl-L-leucine 203.1389 2.70 [M+H]+1 TRANS-2-BENZYL-6-METHYLCYCLOHEXANONE 203.1423 2.67 [M+H]+1 Symmetricdimethylarginine 203.1500 20.24 [M+H]+1 N3,N4-Dimethyl-L-arginine 203.1501 19.31 [M+H]+1 2-NITROBENZENESULFONIC ACID 203.9952 0.67 [M+H]+1 N-ACETYLASPARTIC ACID DIMETHYL ESTER 204.0864 17.22 [M+H]+1 N2-Acetyl-L-aminoadipate 204.0864 12.62 [M+H]+1 1-Carboxyethylleucine 204.1228 9.24 [M+H]+1 Acetyl-L-carnitine 204.1228 13.51 [M+H]+1 N6-(delta2-Isopentenyl)-adenine 204.1240 0.46 [M+H]+1 Crotamiton 204.1382 42.73 [M+H]+1 1-Methylspermidine 204.1460 2.66 [M+H]+1 UDP-D-Xylose 204.9935 7.86 [M+ACN+H]+1 4-Oxo-3,4-dihydroquinazoline-2-carbohydrazide 205.0681 13.56 [M+H]+1 Glutamylglycine 205.0818 17.90 [M+H]+1 7-Propoxy-chromen-2-one 205.0858 2.58 [M+H]+1 L-Tryptophan 205.0969 12.85 [M+H]+1 2-[(2S)-2,6-Diaminohexanoyl]oxyacetic acid 205.1182 19.00 [M+H]+1 Triethylenemelamine 205.1194 3.01 [M+H]+1 1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone 205.1221 2.63 [M+H]+1 OCTAMETHYLTRISILANE 205.1263 17.23 [M+H]+1 GAMMA-HYDROXYHOMOARGININE 205.1293 17.01 [M+H]+1 Bufotenine 205.1334 11.52 [M+H]+1 (+)-δ-Selinene 205.1948 2.71 [M+H]+1 N-ACETYLMETHIONINE METHYL ESTER 206.0843 11.70 [M+H]+1 9-(Tetrahydrofuran-2-yl)-9h-purin-6-amine 206.1034 3.14 [M+H]+1 6H-Purin-6-one, 1,7-dihydro-1,7-dimethyl- 206.1034 3.91 [M+ACN+H]+1 tetrahomomethionine 206.1215 19.07 [M+H]+1 DIBROMOCHLOROMETHANE 206.8202 8.83 [M+H]+1 3,5-Dihydroxyphenyl dihydrogen phosphate 207.0051 18.00 [M+H]+1 3-Oxalomalate 207.0126 7.49 [M+H]+1 2,4,6-Triethyl-1,3,5-oxadithiane 207.0874 44.82 [M+H]+1 1-Methylguanine 207.0986 2.17 [M+ACN+H]+1 (2S)-2-Amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxypropanoic acid 207.0987 2.74 [M+H]+1 3-Dimethylallyl-4-hydroxybenzoate 207.1014 2.63 [M+H]+1 2-(Fluoromethyl)arginine 207.1257 11.03 [M+H]+1 Pyrimido[5,4-E][1,2,4]triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl- 208.0827 3.27 [M+H]+1 (S)-Dimethyl 2-aminopentanedioate 208.1176 3.34 [M+H+MeOH]+1 Miglitol 208.1176 4.68 [M+H]+1 Desethylprocainamide 208.1443 5.82 [M+H]+1 NP-017152 208.1694 2.66 [M+H]+1 Hexadecenoylcarnitine 208.1804 2.82 [M+H]+1 Tetrahydropyridine 208.1806 3.12 [M+H]+1 Caproylcholine 208.1904 4.78 [M+H]+1 3-Methyl-1-propylxanthine 209.1030 6.40 [M+H]+1 LysoPA(P-16:0/0:0) 209.1224 6.53 [M+H]+1 Pilocarpine 209.1284 20.17 [M+H]+1 4-ISOPROPYL-3-METHYLENE-1-OXA-3,3A,4,5,6,7,8,8A-OCTAHYDROAZULEN-2(1H)-ONE 209.1534 2.68 [M+H]+1 3,5-DIMETHYL-1-OCTYLPYRAZOLE 209.2011 8.55 [M+H]+1 Carnosine 210.0870 17.36 [M+H]+1 5-Hydroxypyrimidine 210.1000 34.13 [M+H]+1 Minoxidil 210.1347 9.55 [M+H]+1 Dimethirimol 210.1599 8.42 [M+H]+1 Diethylamine 210.1961 0.81 [M+H]+1 Phlorisovalerophenone 211.0962 2.69 [M+H]+1 4-[(2S)-2-Aminopropyl]-N,3-dimethylaniline 211.1802 9.65 [M+H+MeOH]+1 6,8-Docosanedione 211.1933 9.29 [M+H]+1 Phosphocreatine 212.0429 17.88 [M+H]+1 4-Chlorophenylbiguanide 212.0696 10.73 [M+H]+1 Zalcitabine 212.1027 17.24 [M+H]+1 Acetylisoniazid 212.1027 17.23 [M+H+MeOH]+1 N-Acetyl-3-methylhistidine 212.1028 17.81 [M+H]+1 Kanosamine 212.1126 9.89 [M+H+MeOH]+1 [Similar to: D-(+)-Glucose; ΔMass: 31.0420 Da] 212.1127 9.92 [M+H]+1 Pantothenol 212.1490 1.31 [M+H]+1 N-Ethyl-4-menthane-3-carboxamide 212.2006 43.14 [M+H]+1 Capryloylcholine 212.2063 22.37 [M+2H]+2 2-phosphinomethylmalic acid 213.0157 16.84 [M+H]+1 Deoxyribose 1-phosphate 213.0157 12.56 [M+H]+1 2-Hydroxy-6-ketononatrienedioate 213.0399 17.89 [M+H]+1 albutoin 213.1060 17.79 [M+H]+1 3-Hydroxyphenylacetic acid 213.1119 2.80 [M+H]+1 BURIMAMIDE 213.1160 9.47 [M+H]+1 NP-006656 213.1482 2.61 [M+H]+1 Traumatin 213.1483 2.84 [M+H]+1 FA 13:1 213.1846 2.74 [M+H]+1 3-Hydroxypyridine sulfate 213.9618 16.22 [M+H]+1 Chloroxine 213.9826 10.07 [M+H]+1 [Similar to: N1-(4-chlorophenyl)-3-(2-thienylthio)propanamide; ΔMass: -84.0061 Da] 214.0061 16.40 [M+H]+1 4-(Phenylamino)benzoic acid 214.0869 13.00 [M+H]+1 1-(1-NAPHTHYL)ETHYL ALCOHOL 214.1224 2.67 [M+ACN+H]+1 Ecgonine Ethyl Ester 214.1436 11.52 [M+H]+1 Guanadrel 214.1548 5.28 [M+H]+1 Amifostine 215.0620 16.75 [M+H]+1 Metribuzin 215.0958 11.05 [M+H]+1 1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine 215.1038 6.44 [M+H]+1 (2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one 215.1276 2.92 [M+H]+1 3-Oxododecanoicacid 215.1640 11.59 [M+H]+1 4α-Hydroxymethyl-4β-methyl-5α-cholesta-8,24-dien-3β-ol 215.1892 12.80 [M+2H]+2 cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide 216.0062 7.01 [M+ACN+H]+1 2-CHLORO-4-NITROBENZOIC ACID METHYL ESTER 216.0063 0.69 [M+H]+1 3-(Pyridin-2-yldisulfanyl)propanoic acid 216.0142 17.88 [M+H]+1 fosfocreatinine 216.0142 17.85 [M+Na]+1 Aminobutane bisphosphonate 216.0216 15.85 [M+H]+1 sn-glycero-3-Phosphoethanolamine 216.0629 16.44 [M+H]+1 Propenoylcarnitine 216.1227 40.58 [M+H]+1 Indanidine 216.1239 2.05 [M+H]+1 4-Methoxy-1-methylquinolinium 216.1259 11.74 [M+ACN+H]+1 Metepa 216.1260 11.81 [M+H]+1 Diethylcarbamazine N-oxide 216.1704 11.40 [M+H]+1 Glycerol 3-phosphate 216.9846 16.56 [M+H]+1 Glycerophosphoric acid 216.9847 16.34 [M+H]+1 Glycyl-Cysteine 217.0056 13.00 [M+H]+1 Enflurane 217.0058 13.30 [M+H+MeOH]+1 4-Phospho-D-erythronate 217.0113 0.70 [M+H]+1 sphondin 217.0493 42.41 [M+H]+1 BENZYL 2-HYDROXYPHENYL SULFIDE 217.0680 9.42 [M+H]+1 N(3)-(4-Methoxyfumaroyl)-2,3-diaminopropionic acid 217.0817 8.18 [M+H]+1 6-(4-methoxyphenyl)pyrimidine-2,4-diamine 217.1067 3.25 [M+H]+1 7-(1-pyrrolidinyl)pyrimido[4,5-d]pyrimidin-4-amine 217.1180 2.74 [M+H]+1 {[[(4-Cyanobenzyl)amino](imino)methyl]amino}methanimidamide 217.1191 2.67 [M+H]+1 2-Guanidinobenzimidazole 217.1193 3.23 [M+ACN+H]+1 4-Hydroxypropofol 217.1196 0.79 [M+Na]+1 Valylvaline 217.1544 11.89 [M+H]+1 Atractylon 217.1583 2.68 [M+H]+1 (4-Aminophenyl)arsonic acid 217.9801 12.43 [M+H]+1 8-Nitro-cGMP 218.0066 6.73 [M+H]+1 N,N-Bis(2-chloroethyl)aniline 218.0508 15.52 [M+H]+1 (S)-beta-Methylindolepyruvate 218.0802 7.37 [M+H]+1 N-Acetyl-L-citrulline 218.1132 16.91 [M+H]+1 (D3)METHYL A-D-GLUCOSIDE 218.1382 2.90 [M+NH4]+1 Amino adipic acid diethyl ester 218.1384 2.84 [M+H]+1 O-Propanoylcarnitine 218.1395 0.67 [M+H]+1 γ-Glutamyl-L-putrescine 218.1496 20.67 [M+H]+1 C(Ccc)C(O)(C[N+](C)(C)C)CC([O-])=O 218.1749 2.92 [M+H]+1 3-Phosphoglyceric acid 219.0262 12.85 [M+H]+1 Glu-Ala 219.0972 12.86 [M+H]+1 N2-(D-1-Carboxyethyl)-L-lysine 219.1337 18.54 [M+H]+1 albaflavenone 219.1741 2.61 [M+H]+1 3-METHOXY-8-METHYLMERCAPTODECANE 219.1779 2.80 [M+H]+1 DIETHYLENE GLYCOL DIBUTYL ETHER 219.1952 2.56 [M+H]+1 5-PHENYLDECANE 219.2104 2.70 [M+H]+1 ferroleghemoglobin 219.8393 11.97 [M+H]+1 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione 220.0707 17.77 [M+H]+1 (R)-Pantothenate 220.1175 12.75 [M+H]+1 Allylisopropylacetamide 220.1380 1.51 [M+H]+1 Miglustat 220.1551 0.66 [M+H]+1 1,2-Dichloroethenyl dimethyl phosphate 220.9534 11.50 [M+H]+1 3,5-Dihydroxyphenylpropionic acid 221.0216 3.59 [M+H]+1 NCGC00160227-01!N-METHYL-NORCOTAMINE 221.1047 2.70 [M+H]+1 N-[(2Z)-2-Methoxyiminopropyl]-7H-purin-6-amine 221.1142 6.12 [M+H]+1 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 221.1240 24.39 [M+H]+1 4-Methylracephedrine 221.1647 42.62 [M+ACN+H]+1 2-N,2-N-Dibutylbenzene-1,2-diamine 221.2009 42.94 [M+H]+1 N-(2,3,4-Trihydroxybutyl)-L-valine 222.1335 2.86 [M+H]+1 3-Methylbutanoicacid 222.1696 2.61 [2M+NH4]+1 6-Acetyl-D-glucose 223.0821 4.27 [M+H]+1 2,5-Anhydro-D-mannose 223.1186 0.69 [M+H+MeOH]+1 dTDP 223.9978 13.13 [M+H]+1 CLAZOLIMINE 224.0584 7.74 [M+H]+1 N-(2-Methylacryloyl)-L-histidine 224.1027 17.95 [M+H]+1 N-Acetylglucosaminitol 224.1125 12.80 [M+H]+1 3-Amino-5-(3-thiophenyl)-2-thiophenecarboxamide 225.0155 18.40 [M+H]+1 2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolan-5-yl]acetic acid 225.0342 16.40 [M+H]+1 2-METHOXY-3,7-BIS(METHOXYMETHYL)CYCLOHEPTA-2,4,6-TRIEN-1-ONE 225.1118 2.65 [M+H]+1 Methyprylon 225.1594 10.68 [M+ACN+H]+1 Isamoxole 225.1595 8.49 [M+H]+1 1,3-Dicyclohexylurea 225.1959 10.71 [M+H]+1 1,1-BIS(3-METHYLPIPERAZINYL)ETHYLENE 225.2070 3.15 [M+H]+1 (2R,5S,8R)-2,8-Dimethyl-5-propan-2-ylcyclodecan-1-one 225.2209 2.64 [M+H]+1 Aciclovir 226.0929 6.58 [M+H]+1 Terbutaline 226.1435 2.95 [M+H]+1 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone 226.9412 9.39 [M+H]+1 1-Methyluric acid 227.0110 11.44 [M+ACN+H]+1 N5-(L-1-Carboxyethyl)-L-ornithine 227.0998 14.82 [M+Na]+1 Porphobilinogen 227.1034 4.93 [M+H]+1 1_8-Diazacyclotetradecane-2_9-dione 227.1750 3.53 [M+H]+1 1-(2-Chloroethyl)-1-nitrosourea 227.9362 17.54 [M+H]+1 Adenine monophosphate 227.9910 3.35 [M+H]+1 2'-Deoxycytidine 228.0976 10.75 [M+H]+1 2-Amino-3,7,8-trimethylimidazo(4,5-f)quinoxaline 228.1237 6.69 [M+H]+1 2-hydroxymexiletine 228.1590 2.72 [M+H+MeOH]+1 Andrachcinidine 228.1954 2.06 [M+H]+1 Urolithin A 229.0498 16.64 [M+H]+1 3_4'_5-Trihydroxystilbene 229.0850 4.69 [M+H]+1 Morph 229.1176 17.56 [M+H]+1 Leucylproline 229.1542 14.35 [M+H]+1 Leu-Pro(Leucyl-Proline) 229.1542 18.57 [M+H]+1 Orciprenaline 229.1543 2.83 [M+NH4]+1 N-Decanoylglycine 229.1907 2.91 [M+H]+1 N-2-BUTENYL-N-BUTYL-3-OXOBUTANAMIDE 229.1907 2.89 [M+NH4]+1 2-AMINO-3,7-DIMETHYL-6-OCTENE-1,3-DIOL 229.1909 17.29 [M+ACN+H]+1 4-Chloro-6,7-dimethoxy-1,3-benzoxazol-2(3H)-one 230.0219 0.78 [M+H]+1 2-Hydroxymethyl-1-methyl-5-nitroimidazole, TMS derivative 230.0953 23.27 [M+H]+1 N-Hydroxy-meIQX 230.1031 3.84 [M+H]+1 butenoylcarnitine 230.1383 2.76 [M+H]+1 Butenylcarnitine 230.1384 12.44 [M+H]+1 4-Acetamidocyclohexanol, (E)-, TMS derivative 230.1577 2.96 [M+H]+1 10-Hydroxydecanoic acid 230.1746 2.60 [M+ACN+H]+1 Cer 10:1;2O/2:0 230.1747 2.61 [M+H]+1 Diethylamino nonanoate 230.2111 2.83 [M+H]+1 CerP(d18:1/18:0) 230.9379 12.90 [M+H]+1 O,O-DIMETHYL S-(METHOXYCARBONYL)METHYL PHOSPHORODITHIOATE 230.9906 16.98 [M+H]+1 D-Xylulose 5-phosphate 231.0262 16.63 [M+H]+1 fluminorex 231.0736 17.52 [M+H]+1 Pro-Asp 231.0972 17.44 [M+H]+1 Valyl-4-hydroxyproline 231.1334 3.36 [M+H]+1 (1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide 231.1347 6.41 [M+H]+1 Phenol, 2-(3,7-dimethylocta-2,6-dienyl)- 231.1740 2.85 [M+H]+1 GUAIAZULENE 231.1741 2.85 [M+H+MeOH]+1 2-HYDROXYDODECANOIC ACID METHYL ESTER 231.1950 2.71 [M+H]+1 Cytosine-5-carboxylic acid 231.9511 25.23 [M+H]+1 ETHYL MERCURY ION 232.0165 16.32 [M+H]+1 2-Oxo-3-hydroxy-4-phosphobutanoic acid 232.0222 16.60 [M+H]+1 N-Methyl-L-methionine 232.0613 16.44 [M+H]+1 Butyryl-L-carnitine 232.1539 12.33 [M+H]+1 Butyrylcarnitine 232.1539 11.93 [M+H]+1 alpha-Pyrrolidinovalerophenone 232.1692 1.64 [M+H]+1 3-hydroxyocta-2,6-dienoic acid 232.9976 12.97 [M+H]+1 3-(3_4-Dihydroxypyridin-1-yl)-L-alanine 233.1130 17.04 [M+H+MeOH]+1 4-(γ-L-Glutamylamino)butanoate 233.1139 5.83 [M+H]+1 fraxinellone 233.1168 2.64 [M+H]+1 5-METHYL-2-PHENYL-2-PROPYLE-4-HEXENE-1-OL 233.1896 2.59 [M+H]+1 Phosphocysteamine 233.9144 0.89 [M+ACN+H]+1 4-(3-Pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-butyric acid 234.0869 17.92 [M+H]+1 Ser-Gln 234.1081 16.92 [M+H]+1 N-a-Acetyl-L-arginin 234.1547 11.94 [M+H]+1 Ser-Glu 235.0921 17.45 [M+H]+1 2,6-Diamino-7-hydroxynonanedioic acid 235.1296 2.17 [M+H]+1 Pterosin G 235.1325 2.62 [M+H]+1 1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol 235.1325 4.01 [M+H]+1 Lidocaine 235.1801 8.35 [M+H]+1 Triethylene glycol monohexyl ether 235.1898 2.69 [M+H]+1 alpha-D-glucuronate 1-phosphate 235.9668 16.86 [M+H]+1 2-Amino-5-phosphonopentanoic acid 236.0058 16.43 [M+H]+1 Carboxin 236.0735 2.61 [M+H]+1 Diphenyl sulfone 236.0736 42.31 [M+NH4]+1 [Similar to: 2-[(1S,4S,5S)-4-(Cyanomethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-cyclohexylacetamide; ΔMass: -81.1085 Da] 236.1502 9.11 [M+H]+1 Procainamide 236.1753 43.00 [M+H]+1 2-[(1-Oxido-2-pyridinyl) dithio]pyridine 237.0156 17.54 [M+H]+1 (1Z)-2-Amino-4-methyl-N-(1-phosphonovinyl)pentanimidic acid 237.0996 2.68 [M+H]+1 3-Dimethylallyl-4-hydroxymandelate 237.1118 2.77 [M+H]+1 Butyl cinnamate 237.1480 2.79 [M+ACN+Na]+1 Heptylparaben 237.1481 3.95 [M+H]+1 4-Methyltridecane 237.1957 5.80 [M+H]+1 1-Dodecylimidazole 237.2320 43.18 [M+H]+1 DG(22:0/17:0/0:0) 237.9728 13.72 [M+H]+1 D-(+)-Galactosamine 238.0447 16.50 [M+K]+1 N-Acetyl-D-glucosaminate 238.0918 23.56 [M+H]+1 6-Pyruvoyltetrahydropterin 238.0930 9.26 [M+H]+1 2-Amino-5-benzoylbenzimidazole 238.0970 43.37 [M+H]+1 2-Methylbutylamine 238.2272 0.76 [M+H]+1 L-(+)-Tartaricacid;Diethyltartrate 239.1134 45.13 [M+H+MeOH]+1 3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate 239.1274 2.89 [M+H]+1 Pentaethylene glycol 239.1485 10.29 [M+H]+1 (1S,4Ar,5R,8S,8aS)-2,5-dimethyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-1H-naphthalene-1,5-diol 239.2003 8.61 [M+H]+1 (3s)-3-(Benzyloxy)-L-Aspartic Acid 240.0863 8.90 [M+H]+1 4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile 240.1015 11.01 [M+H]+1 Carbazole, TMS derivative 240.1202 13.32 [M+H]+1 8-Azabicyclo[3.2.1]octane 240.2430 0.40 [2M+NH4]+1 Alizarin 241.0484 16.71 [M+H]+1 2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridin-3-amine 241.1290 17.30 [2M+H]+1 diethyldiallylmalonate 241.1427 33.23 [M+H]+1 Pirbuterol 241.1542 14.87 [M+H]+1 (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 3-oxobutanoate 241.1793 43.19 [M+H]+1 FA 15:1 241.2157 2.60 [M+H]+1 4-Iodoaniline 241.9420 8.66 [M+H]+1 5-Methyldeoxycytidine 242.1142 5.66 [M+H]+1 5-(cyclopropylmethyl)-6-methyl-2-(2-pyridyl)pyrimidin-4-ol 242.1263 17.25 [M+H]+1 (1R,4R,5S)-1-[(1S)-1-Hydroxy-2-methylpropyl]-4-propyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione 242.1382 2.66 [M+H]+1 (2S)-N-TERT-BUTOXYCARBONYL-2-(2-TETRAHYDROFURANYL)PYRROLIDINE 242.1748 7.74 [M+H]+1 Dimethylethanolamine 242.1829 2.65 [M+H]+1 D-Glucose 1-phosphate 243.0258 18.41 [M+H]-H2O 6-Deoxy-5-ketofructose 1-phosphate 243.0260 17.93 [M+H]+1 2-Chloro-4-[(dimethylcarbamoyl)amino]benzoic acid 243.0524 12.91 [M+H]+1 Creatinine aspartate 243.0728 12.79 [M+H]+1 Lumichrome 243.0873 4.59 [M+H]+1 Thymidine 243.0971 3.65 [M+H]+1 gamma-Glutamylisoleucine 243.1331 17.40 [M+H-H2O]+1 (Z)-2-octylpent-2-enedioic acid 243.1585 12.01 [M+H]+1 N-tert-Butyloxycarbonyl-deacetyl-leupeptin 243.1754 23.56 [M+2H]+2 METHACRYLIC ACID 1,10-DECANDIOL MONOESTER 243.1949 42.47 [M+H]+1 [FAmethyl(14:0)]12-methyl-tetradecanoicacid 243.2314 2.71 [M+H]+1 ethoate-methyl 244.0221 16.32 [M+H]+1 D-Glucose 6-phosphate 244.0276 15.29 [M+H]+1 Maculin 244.0593 7.00 [M+H]+1 Cytarabine 244.0923 11.93 [M+H]+1 (S)-1-Pyrroline-5-carboxylate 244.1288 16.60 [2M+NH4]+1 Tiglylcarnitine 244.1538 12.38 [M+H]+1 4-BROMO-2-NITRO-(PHENYLMETHYLENE)AZANOL 244.9567 6.84 [M+H]+1 L-Rhamnulose 1-phosphate 245.0416 17.33 [M+H]+1 (5R,6S)-3-(Aminomethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 245.0585 12.49 [M+H]+1 Uridine 245.0763 9.23 [M+H]+1 Pro-Glu 245.1127 17.24 [M+H]+1 Azepexole 245.1377 3.17 [M+ACN+Na]+1 (2R,4S)-1-Tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate 245.1492 2.66 [M+H]+1 Cer 8:0;2O/2:0 245.1854 3.24 [M+ACN+H]+1 N-(6-Aminohexanoyl)-6-aminohexanoate 245.1856 11.68 [M+H]+1 Xylometazoline 245.2008 42.53 [M+H]+1 1,3-DIPROPYNOXY-4-CHLORO-6-CYANOBENZENE 246.0320 16.10 [M+H]+1 604P380W06 246.0737 9.03 [M+H]+1 3-Aminobenzanthrone 246.0903 12.55 [M+H]+1 (R)-2-(4-(Tert-butoxycarbonyl)morpholin-3-yl)acetic acid 246.1332 8.35 [M+H]+1 Ala-Arg 246.1556 19.21 [M+H]+1 2-Methylbutyroylcarnitine 246.1695 11.91 [M+H]+1 1,4,8,11-Tetraoxacyclotetradecane 246.1695 11.53 [M+ACN+H]+1 3-Hydroxycyclohexanone 246.1696 11.53 [2M+NH4]+1 Val-Lys 246.1806 3.10 [M+H]+1 Mecamylamine 246.1867 9.95 [M+H]+1 Tetrachlorohydroquinone 246.8883 12.45 [M+H]+1 Guanoxabenz [USAN:INN] 247.0159 13.99 [M+H]+1 Arenediol 247.0934 0.62 [2M+Na]+1 Isoleucylaspartate 247.1294 6.06 [M+H]+1 L-N2-(2-Carboxyethyl)arginine 247.1396 18.57 [M+H]+1 Valylglycine, TMS derivative 247.1480 17.38 [M+H]+1 tetradec-5-ynoic acid 247.1660 12.60 [M+Na]+1 1,1,2,3,3-PENTAMETHYL-5-(1-METHYL-2-HYDROXYETHYL)-INDAN 247.2051 2.58 [M+H]+1 HYDROXYCITRONELLAL DIETHYL ACETAL 247.2262 2.70 [M+H]+1 dIDP 248.0421 13.06 [M+H]+1 5-Chlorosalicylanilide 248.0477 13.06 [M+H]+1 CHLORO(TRIMETHYLSILYL)METHYL PHENYL SULFIDE 248.0695 2.27 [M+NH4]+1 Linamarin 248.1125 16.46 [M+H]+1 Thr-Gln 248.1248 2.09 [M+H]+1 2-Ethoxy-1-ethoxycarbonyl-1,2-dihydroquinoline 248.1276 2.65 [M+H]+1 3-Hydroxybutyrylcarnitine 248.1487 14.33 [M+H]+1 Asp-Asp 249.0713 18.43 [M+H]+1 3-Benzoylacrylic acid, TMS derivative 249.0952 17.27 [M+H]+1 gamma-Glutamylthreonine 249.1077 16.99 [M+H]+1 (5R,5aS,9aS,9bS)-5,9b-dihydroxy-6,6,9a-trimethyl-1H,3H,5H,5aH,6H,7H,8H,9H,9aH,9bH-naphtho[1,2-c]furan-1-one 249.1480 2.61 [M+H]+1 S-Acetyldihydrolipoamide 250.0928 3.43 [M+H]+1 Benzo(f)quinolin-3(2H)-one, 8-chloro-1,4,4a,5,6,10b-hexahydro-4-methyl-, trans- 250.0985 17.83 [M+H]+1 1-Deoxy-1-morpholino-D-fructose 250.1281 2.70 [M+H]+1 N-Undecanoylglycine 250.2009 2.74 [M+H]+1 4-Chloro-5-sulfamoylanthranilic acid 250.9885 17.23 [M+H]+1 Tris(2-carboxyethyl)phosphine (TCEP) 251.0696 2.39 [M+H]+1 Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo- 251.1013 9.59 [M+H]+1 Cyclohexyl trimethylsilyl methylphosphonate 251.1235 17.06 [M+H]+1 flucindole 251.1361 14.09 [M+H]+1 METHYL TETRA-O-METHYL-ALPHA-D-TALOPYRANOSIDE 251.1500 8.30 [M+H]+1 1-(2-METHOXYPHENYL)-5-METHYL-4-HEXENE-1-ONE 251.1636 3.24 [M+H+MeOH]+1 Trichodermol 251.1636 2.76 [M+H]+1 N1,N12-Diacetylspermine 251.2223 3.06 [M+H]+1 Civetone 251.2365 2.61 [M+H]+1 4-Carbamimidoyl-L-phenylalanine 252.0728 2.40 [M+H]+1 flunidazole 252.0772 14.59 [M+H]+1 Muramicacid 252.1074 17.34 [M+H]+1 N6-Acetyl-L-lysine 252.1306 3.59 [M+ACN+Na]+1 2-Nitrophenyl octyl ether 252.1589 2.61 [M+H]+1 Arginylalanine 252.1656 2.95 [M+2H]+2 N1,N8-Diacetylspermidine 252.1670 2.75 [M+H]+1 norspermine 252.2161 2.59 [M+H]+1 Thio-NAD 252.6673 2.97 [M+2H]+2 5-Hydroxy-N-formylkynurenine 253.0812 17.42 [M+H]+1 3-Phenoxypropylene di(acetate) 253.1064 3.28 [M+H]+1 7-oxabicyclo[4.1.0]hept-3-ylmethyl7-oxabicyclo[4.1.0]heptane-3-carboxylate 253.1429 2.72 [M+H]+1 Dibutyl malate 253.1640 2.93 [M+2H]+2 MLS002639189-01! 253.2269 43.08 [M+H]+1 (2R,5R)-Hept-6-yne-2,5-diamine 253.2380 3.12 [2M+H]+1 5,9,13-TRIMETHYL-(8Z,12)-TETRADECADIENE-5-OL 253.2520 2.62 [M+H]+1 N-Lauroylsarcosine 254.2110 42.25 [M+H]+1 Daidzein 255.0640 16.46 [M+H]+1 N~2~-(Carboxymethyl)arginine 255.1058 14.42 [M+Na]+1 Pimonidazole 255.1446 17.25 [M+H]+1 C75 trans 255.1586 2.85 [M+H]+1 3-nonenoylglycine 255.1698 2.93 [M+H]+1 N-Stearoyl Threonine 255.2061 3.23 [M+H]+1 Palmitoleate 255.2314 2.58 [M+H]+1 Ketorolac 256.0964 12.42 [M+H]+1 2-(3-Carboxy-3-aminopropyl)-L-histidine 257.1236 17.86 [M+H]+1 1,1-Diphenylhydrazine, TMS derivative 257.1466 13.16 [M+H]+1 4-[(3-oxobutanoyl)amino]benzenesulfonate 258.0431 15.29 [M+H]+1 cephalosporanic acid 258.0431 16.31 [M+H]+1 timoprazole 258.0683 13.32 [M+H]+1 sn-glycero-3-Phosphocholine 258.1096 16.99 [M+H]+1 2-Hexenoylcarnitine 258.1695 11.43 [M+H]+1 Myristamine Oxide 258.2787 42.78 [M+H]+1 Methyl (2E)-3-[4-(sulfooxy)phenyl]acrylate 259.0271 16.45 [M+H]+1 O,O'-Diethyl dithiophosphate, TMS derivative 259.0405 15.27 [M+H]+1 Tetradecanedioicacid 259.1897 42.26 [M+H]+1 γ-L-Glutamyl 5-phosphate 260.0523 17.79 [M+H+MeOH]+1 D-Glucosamine 6-phosphate 260.0525 16.97 [M+H]+1 Ala-Hyp-Gly 260.1246 4.71 [M+H]+1 Celgosivir 260.1488 17.36 [M+H]+1 Hexanoylcarnitine 260.1850 11.32 [M+H]+1 Lys-Leu 260.1964 17.05 [M+H]+1 1D-myo-Inositol 3-monophosphate 261.0364 18.40 [M+H]+1 Gln-Asn 261.1189 17.39 [M+H]+1 NP-020535 261.1440 16.95 [M+ACN+H]+1 1'-Hydroxybufuralol 261.1480 2.61 [M+H-NH3]+1 Carisoprodol 261.1801 13.02 [M+H]+1 1,9-Heptadecadiene-4,6-diyne-3,8-diol, (3S,8S,9Z)- 261.1844 2.67 [M+H]+1 Cystinylglycine 262.0326 16.62 [M+H]+1 Tris(2-hydroxyethyl) isocyanurate 262.1028 17.65 [M+H]+1 Glycine glutamate 262.1029 17.61 [M+ACN+H]+1 Glutamylasparagine 262.1053 13.03 [M+H]+1 NP-015114 262.1279 16.72 [2M+NH4]+1 Aspartyllysine 262.1393 19.45 [M+H]+1 (2S)-2-Amino-3-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxypropanoic acid 262.1503 18.58 [M+H]+1 3-Hydroxyisovalerylcarnitine 262.1644 13.89 [M+H]+1 Hydroxyprolyl-Leucine 262.1754 13.14 [M+H]+1 SPB 14:0;3O 262.2369 2.67 [M+H]+1 Hex2Cer 29:4;2O 262.8388 2.93 [M+3H]+3 Demeton-S-methylsulphon 263.0166 16.33 [M+H]+1 4,6-BIS(CHLOROMETHYL)-2,5-DIMETHOXYTROPONE 263.0236 12.94 [M+H]+1 5-Methoxy-2-(methylthio)-1,3-thiazino[6,5-b]indole 263.0303 16.78 [M+H]+1 D-Mannitol 1-phosphate 263.0522 17.59 [M+H]+1 N-Acetyl-serylaspartic acid 263.0869 18.26 [M+H]+1 2,5-DIHYDRO-4-HYDROXY-1-METHYL-5-OXO-2-(3-PYRIDINYL)1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER 263.1021 7.72 [M+H]+1 L-Galactose 263.1245 0.63 [2M+Na]+1 Artemisin 263.1272 2.61 [M+H]+1 Salinosporamide B 263.1273 2.61 [M+H-NH3]+1 Methylmalonylcarnitine 263.1361 14.65 [M+H]+1 Streptidine 263.1456 17.07 [M+H]+1 Alanine lactate pyruvate 264.0723 2.05 [M+H]+1 4-O-Acetyl-N-acetylmannosamine 264.1084 17.84 [M+H]+1 5-Amino-2-[(2-amino-3-carboxypropanoyl)oxyamino]pentanoic acid 264.1177 14.48 [M+H]+1 Ala-Ala-Ala 264.1559 0.92 [M+H+MeOH]+1 NAGlySer 13:1/10:0 264.1876 2.96 [M+2H]+2 1'-Acetoxyeugenolacetate 265.1066 8.08 [M+H]+1 3,4-DIMETHYL-1,1-DIPHENYL-1-SILACYCLOPENT-3-ENE 265.1402 9.19 [M+H]+1 13-Hydroxylupanine 265.1906 2.94 [M+H]+1 2-(Nonylphenoxy)ethanol 265.2156 42.32 [M+H]+1 2-Methyl-2-phenylsuccinimide 265.9976 8.67 [M+H]+1 Adenosine dialdehyde 266.0878 17.56 [M+H]+1 N-(2-(Methylamino)ethyl)-5-isoquinolinesulfonamide 266.0969 15.33 [M+H]+1 (3S,4R,5R)-1,3,4,5,6-Pentahydroxy-1-morpholin-4-ylhexan-2-one 266.1229 17.17 [M+H]+1 N(alpha)-Benzyloxycarbonyl-L-leucine 266.1382 12.00 [M+H]+1 Dimethylarginine 266.1593 17.27 [M+H]+1 Spermine 266.2321 2.68 [M+H]+1 Nonacosane 266.7757 9.13 [M+H]+1 Phosphatidylinositol 4,5-diphosphate 266.9820 16.00 [M+H]+1 4-CHLORO-3-PHENYLTHIOMETHOXYPHENOL 267.0234 16.81 [M+H]+1 5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole 267.1100 14.82 [M+H]+1 1-(3-Carboxypropyl)-3,7-dimethylxanthine 267.1100 15.04 [M+H]+1 5'-Amino-5'-deoxyadenosine 267.1196 3.11 [M+H]+1 Deoxyartemsinin 267.1586 2.86 [M+H]+1 cis-Linoleic acid 267.2314 11.50 [M+H]+1 Octadec-9-enal 267.2676 2.62 [M+H]+1 Neuraminicacid 268.1022 18.21 [M+H]+1 Adenosine 268.1034 9.85 [M+H]+1 Agaritine 268.1299 1.31 [M+H]+1 Inosine 269.0874 11.03 [M+H]+1 NCGC00385513-01!4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)oxolan-2-one 269.1011 9.83 [M+H]+1 Methyldymron 269.1641 2.61 [M+H]+1 N-OCTANOYL-L-HOMOSERINE LACTONE 269.1853 2.85 [M+ACN+H]+1 8-Hydroxy-13,14,15,16-tetranor-12-labdanoic acid 269.2105 2.87 [M+H]+1 Octadecanal 269.2831 2.67 [M+H]+1 1-(2-Amino-7,8-dihydroxy-4-oxo-3,4,4a,7,8,8a-hexahydro-6-pteridinyl)-1,2-propanedione 270.0849 11.23 [M+H]+1 Amidinophenylpyruvic acid 270.0850 10.96 [M+H]+1 Lagociclovir 270.1001 17.32 [M+H]+1 7-Aminodesmethylflunitrazepam 270.1038 9.94 [M+H]+1 N4-Acetyl-deoxycytidine 270.1076 9.47 [M+H]+1 4-Hydroxy Triamterene 270.1103 9.47 [M+H]+1 Estrone 270.1847 2.87 [M+NH4]+1 SPB 17:0;2O 270.2785 2.67 [M+H-H2O]+1 Apigenin 271.0593 1.94 [M+H]+1 1,2-DI-TERT-BUTYL-1,2-DICHLORO-1,2-DIMETHYLDISILANE 271.0877 10.98 [M+H]+1 LPA 6:0 271.0945 11.03 [M+H]+1 NCGC00380148-01!6-(2,4-dihydroxy-3,5-dimethylhexyl)-4-hydroxy-3-methylpyran-2-one 271.1536 2.83 [M+H]+1 2-Hydroxydodecyl methacrylate 271.2262 2.69 [M+H]+1 Methyl palmitate 271.2623 44.97 [M+H]+1 Isopropyl myristate 271.2626 23.01 [M+H]+1 2,4,5-Trichlorophenoxyacetic acid 271.9641 16.52 [M+Na]+1 MERCARPHON 272.0169 17.00 [M+H]+1 5-Formyl-Cytidine 272.0870 9.70 [M+H]+1 Dimethenamid OXA 272.0950 11.48 [M+H]+1 Pyrimethanil, TMS derivative 272.1567 2.86 [M+H]+1 2-IODO-3-TRIMETHYLSILOXYBUTANE 273.0179 13.60 [M+H]+1 Taurine 273.0180 13.78 [2M+Na]+1 5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate 273.0428 16.28 [M+H]+1 Pyridine N-oxide glucuronide 273.0837 9.60 [M+H]+1 ISOPROPYL 2-(N-((4S)-4-(1-METHYLETHYL)-2-OXAZOLIDINONE-3-CARBAMOYL)(AMINOACETATE 273.1439 2.03 [M+H]+1 Dodecyl acetate 273.1803 2.76 [M+H]+1 DIETHYL DIBUTYLMALONATE 273.2054 2.70 [M+H]+1 N~6~-Octanoyllysine 273.2166 9.72 [M+H]+1 Cropropamide 273.2167 9.75 [M+H+MeOH]+1 Exametazime 273.2279 22.30 [M+H]+1 Heptulose 274.0681 16.78 [M+H]+1 Pomalidomide 274.0812 9.08 [M+H]+1 5-OH-Me-Cytidine 274.1028 17.23 [M+H]+1 N-TRIMETHYLSILYLPIPERIDINE-4-CARBOXYLIC ACID TRIMETHYLSILYL ESTER 274.1643 11.67 [M+H]+1 Arg-Val 274.1869 17.35 [M+H]+1 O-heptanoylcarnitine 274.2006 10.45 [M+H]+1 Anilazine 274.9639 12.89 [M+H]+1 1-Deoxy-D-altro-heptulose7-phosphate 275.0521 16.68 [M+H]+1 2-(ALPHA-NAPHTHYL)CHROMAN-4-ONE 275.1053 11.52 [M+H]+1 N2-Succinyl-L-arginine 275.1345 16.90 [M+H]+1 Val-Cit 275.1710 18.95 [M+H]+1 2,3-Dihydroxypropyl dodecanoate 275.2211 2.82 [M+H]+1 N-Nervonoyl Threonine 275.7337 11.95 [M+H]+1 Acetarsol 275.9850 16.72 [M+H]+1 D-glucosaminic acid 6-phosphate 276.0473 13.16 [M+H]+1 N-gamma-Glutamylglutamine 276.1185 17.43 [M+H]+1 L-Aspartate-semialdehyde 276.1185 17.40 [2M+ACN+H]+1 epsilon-(gamma-Glutamyl)lysine 276.1549 19.31 [M+H]+1 3-Hydroxyhexanoylcarnitine 276.1798 12.86 [M+H]+1 2-(beta-D-Glucosyl)-sn-glycerol 277.0888 14.37 [M+Na]+1 Ggamma-L-Glutamyl-L-glutamicacid 277.1024 18.12 [M+H]+1 3-Hydroxydodecanoic acid 277.2370 2.92 [M+H]+1 Heptanoic acid 278.2320 2.88 [M+H]+1 3-Iodopropanoic acid 278.9534 14.67 [M+H]+1 METHOXYTRIS(TRIMETHYLSILYL)SILANE 279.1448 17.28 [M+H]+1 4-AZIDOBENZOIC ACID CYCLOHEXYL ESTER 279.1583 3.24 [M+H+MeOH]+1 2-Methoxy-1-(3-methyl-2-buten-1-yl)-4-[(Z)-2-phenylvinyl]benzene 279.1740 10.69 [M+H]+1 Deacetylmoxisylyte 279.2060 42.18 [M+ACN+H]+1 Imepitoin 280.0859 42.24 [M+H]+1 5-Methylcytidine 280.0912 16.69 [M+Na]+1 2'-O-Methylcytidine 280.0914 16.06 [M+Na]+1 Metolachlor CGA 357704 280.1192 10.68 [M+H]+1 Phoxim 281.0498 2.50 [M+H-H2O]+1 8'-Hydroxyabscisate 281.1376 3.22 [M+H]+1 3-Dimethylallyl-4-hydroxyphenylpyruvate 281.1378 2.79 [M+H+MeOH]+1 Linoleate 281.2468 2.64 [M+H]+1 3-Iodo-2-propynyl butylcarbamate 281.9987 13.79 [M+H]+1 Glucosamine 6-sulfate 282.0262 13.13 [M+H]+1 DCOIT 282.0479 12.18 [M+H]+1 N-Nervonoyl Arginine 282.7477 12.04 [M+H]+1 6-[8-Hydroxy-1-(hydroxymethyl)octahydro-2H-quinolizin-3-yl]-2-piperidinone 283.2008 3.24 [M+H]+1 Methylfarnesoate 283.2260 3.22 [M+H+MeOH]+1 N-(UNDECYLCARBAMOYL)-2-PYRROLIDONE 283.2375 16.56 [M+H]+1 Oleate 283.2626 2.57 [M+H]+1 Risedronate 284.0086 16.11 [M+H]+1 N2-Acetyl-L-aminoadipyl-delta-phosphate 284.0525 16.94 [M+H]+1 Guanosine 284.0981 12.73 [M+H]+1 1-(1,3-Benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol 284.1098 16.61 [M+H]+1 Spermine dialdehyde 284.2059 4.20 [M+H]+1 (2S,3R)-2-Amino-4-octadecene-3-ol 284.2941 2.77 [M+H]+1 Cetrimonium 284.3308 0.76 [M+H]+1 Xanthosine 5-triphosphate 284.9716 16.01 [M+H]+1 Cysteinyl-Serine 284.9716 15.52 [M+H]+1 2-ACETOXY-7-BROMO-4-ISOPROPYLTROPONE 285.0122 16.34 [M+H]+1 D-glycero-L-galacto-Octulose 285.0551 16.45 [M+H]+1 Xanthosine 285.0825 11.51 [M+H]+1 4'-Azidocytidine 285.0929 17.80 [M+H]+1 Pro-Gln 285.1552 17.03 [M+ACN+H]+1 Tetranorprostanedioic acid 285.2054 41.91 [M+H]+1 N-Nervonoyl Valine 286.0584 16.38 [M+H]+1 2-(3-(Diallylamino)propionyl)benzothiophene 286.1248 15.29 [M+H]+1 N-TERT-BUTOXYCARBONYL-2-(1-AZIDO-4-HYDROXYBUTYL)PYRROLIDINE 286.2005 10.04 [M+H]+1 2-Octenoylcarnitine 286.2007 10.67 [M+H]+1 SPB 17:1;2O 286.2733 2.55 [M+H]+1 N-Acetylleucylleucine 287.1956 13.02 [M+H]+1 Androst-4-ene-3,17-dione 287.1999 2.67 [M+H]+1 2,2,4-Trimethyl-1,3-pentadienol diisobutyrate 287.2211 0.78 [M+H]+1 Nitrobenzylmercaptopurine 288.0536 16.17 [M+H]+1 L-Alanine-4-nitroanilide 288.1006 14.55 [M+H]+1 1,N2-4-Oxo-(2E)-nonenal-guanine 288.1467 13.48 [M+H]+1 5-PROPYL-2-PYRAZOLINE 288.2162 10.49 [2M+ACN+Na]+1 Valproylcarnitine 288.2162 9.88 [M+H]+1 HexCer 22:3;2O/23:1;O 288.9036 2.89 [M+3H]+3 2-Anthraquinonesulfonic acid 289.0164 16.71 [M+H]+1 4,4'-Methylenebis(2,6-dimethylphenol) 289.1791 2.69 [M+H+MeOH]+1 [ST(3:0)]estra-1_3_5(10)-triene-2_4_17beta-triol 289.1792 2.68 [M+H]+1 Asp-Arg 290.1454 19.41 [M+H]+1 3-Methylglutarylcarnitine 290.1592 11.71 [M+H]+1 PS O-26:7_18:4 290.1886 3.22 [M+3H]+3 4-MESYLBENZYL BENZOATE 291.0693 11.23 [M+H]+1 Glutamic acid glutamate 291.0817 17.49 [M+H]+1 Argininosuccinic acid 291.1293 18.62 [M+H]+1 17-β-Hydroxy-5-α-androstan-3-one 291.2312 2.65 [M+H]+1 Cyclic ADP-ribose 292.0526 13.22 [M+H]+1 LYCORICIDINE 292.0821 17.31 [M+H]+1 Glutamine-glutamate 292.1133 17.56 [M+H]+1 Naproanilide 292.1327 18.81 [M+H]+1 LPG 23:0 292.2034 23.75 [M+2H]+2 SPB 15:0;2O 292.2838 2.66 [M+H+MeOH]+1 PS(18:1(9Z)-O(12,13)/20:1(11Z)) 292.2840 2.66 [M+H]+1 1,3-Diphenylpropyl hydrogen sulfate 293.0835 16.41 [M+H]+1 Picrotoxinin 293.1033 9.45 [M+H]+1 9,10-Epoxy-10,12Z,15Z-octadecatrienoate 293.2104 2.70 [M+H]+1 Dichloroiodomethane 293.9065 22.95 [M+H]+1 (2S)-4-(Methylsulfanyl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)butanoic acid 294.0997 9.44 [M+H-H2O]+1 Isotrichodiol 294.2056 42.20 [M+ACN+H]+1 PE(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/22:2(13Z,16Z)) 294.8603 2.93 [M+3H]+3 Puromycin aminonucleoside 295.1508 3.17 [M+H]+1 3-methoxy-2-(3-methylbut-2-enyl)-5-pentylphenol 295.2260 2.95 [M+H+MeOH]+1 2,4,6-Tri-tert-butylphenol 295.2622 44.95 [M+H+MeOH]+1 Stepronin 296.0030 13.76 [M+Na]+1 NAE 16:2 296.2577 42.62 [M+H]+1 PE O-28:1_19:0 296.2578 2.96 [M+3H]+3 Ferulic acid 4-O-sulfate 297.0040 16.68 [M+Na]+1 17a-Ethynylestradiol 297.1841 2.70 [M+H]+1 [FA(18:0)]12R_13S-epoxy-9Z-octadecenoicacid 297.2416 3.24 [M+H]+1 cis-12-Octadecenoic acid methyl ester 297.2778 44.80 [M+H+MeOH]+1 Octadeca-9,12-dienal 297.2780 42.68 [M+H+MeOH]+1 S-Methyl-5'-thioadenosine 298.0958 4.66 [M+H]+1 NP-001346 298.0960 7.24 [M+H]+1 2-Methylguanosine 298.1139 10.54 [M+H]+1 3-oxo-C12 homoserine lactone 298.2006 9.84 [M+H]+1 Palmitoleoylethanolamde 298.2733 42.27 [M+H]+1 Tridemorph 298.3096 2.64 [M+NH4]+1 4-Hydroxycyclophosphamide 299.0082 14.19 [M+H]+1 Vanillin isobutyrate 299.0082 12.98 [M+H+MeOH]+1 4-Hydroxyifosfamide 299.0082 12.86 [M+H]+1 D-Xylulose 1-phosphate 299.0083 13.38 [M+H]+1 Xylulose 5-phosphate 299.0083 13.45 [M+H+MeOH]+1 PSEUDO-ANISATIN 299.1482 2.97 [M+H]+1 diphthinate 299.1707 17.02 [M+H]+1 Artemether 299.1849 2.83 [M+H]+1 2-Oxooctadecanoicacid 299.2573 3.24 [M+H]+1 3-hydroxy-C12 homoserine lactone 300.2161 10.39 [M+H]+1 Palmitic amide 300.2274 3.22 [M+H]+1 3-Dehydrosphinganine 300.2889 2.78 [M+H]+1 dapdiamide A 301.1515 18.95 [M+H]+1 alpha-Hydroxymetoprolol 301.2114 2.97 [M+NH4]+1 MG 14:1 301.2367 2.58 [M+H]+1 N-Acetyl-α-D-glucosamine 1-phosphate 302.0627 17.46 [M+H]+1 4-Allyl-2-hydroxy-6-methoxyphenyl hydrogen sulfate 302.0691 16.19 [M+ACN+H]+1 Quercetin 303.0506 17.89 [M+H]+1 19-Oxo-testosterone 303.1946 2.70 [M+H]+1 PA(20:3(6,8,11)-OH(5)/a-25:0) 303.1983 2.93 [M+2H]+2 Cholylasparagine 303.1989 2.78 [M+H]+1 Icosapentaenoate 303.2312 2.57 [M+H]+1 Arg-Glu 304.1610 19.24 [M+H]+1 3-hydroxyoctanoyl carnitine 304.2111 11.85 [M+H]+1 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-sulphate 305.0325 16.61 [M+H]+1 N-Acetyl-1-aspartylglutamic acid 305.0971 17.69 [M+H]+1 Propaphos 305.0971 18.42 [M+H]+1 Pentadecanone 305.2509 2.62 [M+H]+1 Oxostephanine 306.0746 3.79 [M+H]+1 Convicine 306.0917 16.59 [M+H]+1 2-hydroxycaproicacid 306.1904 2.96 [2M+ACN+H]+1 3,5-BIS(TRIFLUOROMETHYL)BENZYL BROMIDE 306.9566 16.41 [M+H]+1 (S)-Ureidoglycolic acid 307.0302 13.96 [M+H]+1 L-Glutathione oxidized 307.0824 19.58 [M+H]+1 Glutamyl-S-(C3H5)-Cysteine sulfoxide 307.0956 2.41 [M+H]+1 8_11_14-Eicosatrienoicacid 307.2624 2.66 [M+H]+1 2-oxobrimonidine 308.0146 18.75 [M+H]+1 [Similar to: L-Glutathione (reduced); ΔMass: -0.0108 Da] 308.0809 20.07 [M+H]+1 L-Glutathione (reduced) 308.0902 17.02 [M+H]+1 N-[1-(2-Oxochromen-3-yl)ethylideneamino]pyridine-4-carboxamide 308.1033 2.44 [M+H]+1 HYDROXYFASUDIL 308.1066 15.27 [M+H]+1 2-HEPTENAL O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME 308.1073 13.49 [M+H]+1 γ-L-Glutamyl-(S)-trans-1-propenyl-L-cysteine 308.1273 2.75 [M+NH4]+1 LDGTS 26:0 308.2745 11.24 [M+2H]+2 PE(24:0/PGD1) 308.8778 12.87 [M+H]+1 PE(PGE1/24:0) 308.8780 13.28 [M+H]+1 Chloralose 308.9687 2.40 [M+H]+1 Chlorocitric acid 309.0461 13.85 [M+H]+1 3-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide 309.0875 16.64 [M+H]+1 Clobenpropit 309.0938 16.57 [M+H]+1 Bisdemethoxycurcumin 309.1113 3.65 [M+H]+1 Warfarin 309.1113 3.28 [M+H]+1 S-[(1Z)-N-Hydroxy-8-(methylsulfanyl)octanimidoyl]cysteine 309.1286 17.62 [M+H]+1 Fructoselysine 309.1650 19.30 [M+H]+1 3,7-DIMETHYL-10-(N-METHYLPIPERAZINYLCARBAMOYL)-(E)-7-DECEN-2-ONE 309.2529 3.92 [M+H]+1 Icosadienoicacid 309.2779 2.61 [M+H]+1 PGP(18:1(12Z)-2OH(9,10)/18:3(6Z,9Z,12Z)) 309.9226 16.86 [M+H]+1 Glycodiazine 310.0859 16.77 [M+H]+1 N-Acetyl-β-neuraminate 310.1124 17.58 [M+H]+1 H-Arg(NO2)-Obzl 310.1511 6.39 [M+H]+1 PE-NMe2(11D3/13D5) 310.8748 12.80 [M+H]+1 5'-(3',4'-Dihydroxyphenyl)-gamma-valerolactone sulfate 311.0196 16.41 [M+Na]+1 Cl-amidine 311.1263 12.53 [M+H]+1 (1E)-1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one 311.1634 2.62 [M+H]+1 Botrydial 311.1845 3.23 [M+H]+1 9(S)-HPOTE 311.2209 2.77 [M+H]+1 TETRABUTYLAMMONIUM CHLORIDE 311.2935 2.71 [M+H+MeOH]+1 [FA(20:0)]11Z-eicosenoicacid 311.2938 2.73 [M+H]+1 2-trans,4-cis-Decadienoylcarnitine 312.2161 9.59 [M+H]+1 Cer 16:2;2O/2:0 312.2525 2.59 [M+H]+1 3-ETHENYL-2,5-DIHEPTYLTETRAHYDROFURAN 312.3253 2.59 [M+NH4]+1 Thiourea, (5-phenyl-1,2,4-thiadiazol-3-yl)- 312.9406 13.00 [M+H]+1 (9S)-HPODE 313.2364 3.24 [M+H]+1 Cer(d20:1/18:3(10,12,15)-OH(9)) 313.7632 12.30 [M+H]+1 phenylacetylthreonine 314.0190 16.75 [M+H]+1 1-Methyladenosine 314.1451 11.00 [M+H]+1 TRIMETHOXYMETHYLSILANE 314.1452 10.99 [2M+ACN+H]+1 Decenoylcarnitine 314.2317 9.14 [M+H]+1 9-Decenoylcarnitine 314.2317 10.26 [M+H]+1 Cer 16:1;2O/2:0 314.2681 2.58 [M+H]+1 SPB 19:1;2O 314.3046 2.89 [M+H]+1 D-Erythro-imidazole-glycerol-phosphate 314.9514 17.57 [M+H]+1 Galactosylpyridinoline 315.1057 9.52 [M+H]+1 Avenein 315.1059 8.99 [M+H]+1 6phiC9SPC 315.1266 16.49 [M+H]+1 Clomipramine 315.1631 15.34 [M+H]+1 DG(16:0/0:0/18:4n3) 315.7603 12.26 [M+H]+1 N,N-BIS(TRIMETHYLSILYL)-3-BROMOANILINE 316.0539 16.75 [M+H]+1 N-ACETYL-ALANYL-VALYL-ALANINE METHYL ESTER 316.1876 42.45 [M+H]+1 butoctamide 316.2109 9.36 [M+H]+1 Decanoylcarnitine 316.2472 10.20 [2M+ACN+Na]+1 LDGCC 26:0 316.2721 11.74 [M+2H]+2 Benzoyl-CoA 316.6977 12.40 [M+H]+1 MMV084864 317.1142 12.26 [M+H]+1 Combretastatin A4 317.1383 10.62 [M+H]+1 Glutamyllysine 317.1822 5.48 [M+H]+1 NCGC00381270-01!(5E)-4,7,8-trihydroxy-2-(2-hydroxypentyl)-9,9-dimethyl-3,4,7,8-tetrahydro-2H-oxecin-10-one 317.1954 2.96 [M+H]+1 DAG 14:0 317.2315 2.93 [M+H]+1 2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate 318.0640 15.29 [M+H]+1 Oxyphenisatin 318.1126 18.35 [M+H]+1 (2S)-3-(1H-Imidazol-4-yl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)propanoic acid (non-preferred name) 318.1291 17.50 [M+H]+1 Piplartine 318.1348 10.72 [M+H]+1 Myristoylglycine 318.2629 2.68 [M+H]+1 (2E)-3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-propen-1-yl hydrogen sulfate 319.0479 16.74 [M+H]+1 Tebupirimfos 319.1240 17.89 [M+H]+1 Ubiquinone-2(CoQ2) 319.1895 2.67 [M+H]+1 Pegvaliase 319.2221 10.74 [M+H]+1 Kauralexin A3 319.2260 2.66 [M+H]+1 C12EOx 319.2834 2.68 [M+H]+1 triphosphopyridine 319.9487 16.65 [M+H]+1 2,3,4-Trichlorobiphenyl 319.9755 13.75 [M+H]+1 Pangamic Acid_major 320.0731 17.61 [M+K]+1 Palmitoylglycine 320.2787 2.77 [M+H]+1 MMV687248 321.1161 13.92 [M+H]+1 Eterobarb 321.1438 8.45 [M+H]+1 cepharadione B 322.1088 16.29 [M+H]+1 MMV688554 322.1228 13.22 [M+H]+1 (-)-Phaseollin 323.1267 2.58 [M+H]+1 2-Deamino-2-hydroxy-6-dehydroparomamine 323.1442 16.92 [M+H]+1 3-METHYLENE-5,5-DIPHENYL-5-TRIMETHYLSILOXYPENTENE 323.1817 9.12 [M+H]+1 Geranylgeraniol 323.2936 2.59 [M+H+MeOH]+1 O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate 324.0448 16.84 [M+H]+1 CMP 324.0582 17.70 [M+H]+1 Cytidine 5'-monophosphate (hydrate) 324.0584 17.11 [M+H]+1 PS(TXB2/20:0) 324.8448 0.89 [M+ACN+H]+1 2-Iodobenzoic acid 324.8449 0.89 [M+H]+1 UMP 325.0422 17.14 [M+H]+1 nacubactam 325.0806 17.67 [M+H]+1 Bis-D-fructose2'_1:2_1'-dianhydride 325.1121 18.14 [M+H]+1 2-Deoxy-L-scyllo-inosose 325.1122 18.14 [2M+H]+1 2-Deamino-2-hydroxyparomamine 325.1597 22.54 [M+H]+1 DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0/i-14:0) 325.2267 8.95 [M+H]+1 14,15-Epoxyeicosa-5z-enoic acid 325.2730 2.70 [M+H]+1 3,4,5-trihydroxypentanoyl-CoA 326.0302 15.30 [M+H]+1 2-(3-BENZOYLPHENYL)PROPIONIC ACID TRIMETHYLSILYL ESTER 327.1403 10.99 [M+H]+1 2-Oxophytanate 327.2886 2.61 [M+H]+1 N-Acetyl-L-tyrosine ethyl ester 328.0347 15.81 [M+H]+1 PE 6:0 328.1149 16.98 [M+H]+1 NCGC00160300-01!2-Formyl-komarovicine 328.1436 11.28 [M+H]+1 N-Palmitoyltaurine 328.2320 4.20 [M+H]+1 10-Nitrooleate 328.2473 42.25 [M+H]+1 n-methylsphingosine 328.2837 2.59 [M+H]+1 Quinocetone 329.0911 15.29 [M+Na]+1 9,12-DIOXO-5,6,7,9,12,14,15,16-OCTAHYDRO-6,15-METHANOBENZO(A)NAPHTHO(2,3-F)CYCLODECENE 329.1537 16.58 [M+H]+1 (1S,2S,3S,4R)-3-(1-Acetamido-2-ethylbutyl)-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid 329.2177 19.62 [M+H]+1 MMV676409 330.0721 16.89 [M+H]+1 Glutathione 330.0723 16.53 [M+H]+1 (2S)-N-TERT-BUTOXYCARBONYL-2-(4-(1-ETHOXYETHOXY)-1-OXOBUTYL)PYRROLIDINE 330.2266 10.97 [M+H]+1 Cer 17:0;2O/2:0 330.2993 8.31 [M+H]+1 athidathion 331.0010 16.40 [M+H]+1 Aspartyl-Glutamate 331.0756 16.52 [M+H]+1 Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-acetylhydrazide 332.0796 16.29 [M+H]+1 4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole 332.1189 42.49 [M+H]+1 3-hydroxydecanoyl carnitine 332.2422 11.30 [M+H]+1 PFSA-Cl; C4HClF8O4S 332.9222 12.96 [M+H]+1 PC(24:0/22:0) 332.9223 12.91 [M+H+MeOH]+1 3,4-Methylenedioxybenzoic acid 333.0628 17.60 [M+2H]+2 4,7-Diphenyl-1,10-phenanthroline 333.1388 14.16 [M+H]+1 N-ACETYLGLYCYLMETHIONYLGLYCINE ETHYL ESTER 334.1423 14.32 [M+H]+1 DECAFLUOROBIPHENYL 334.9900 13.97 [M+H]+1 6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid 334.9945 13.80 [M+H]+1 MMV611037 335.0632 18.63 [M+H]+1 2-(alpha-D-Galactosyl)-sn-glycerol3-phosphate 335.0730 17.50 [M+H]+1 Glycerol 1-myristate 335.2782 2.77 [M+H]+1 Pesticide4_Zoxamide_C14H16Cl3NO2_3,5-Dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide 336.0327 17.03 [M+H]+1 N4-(Acetyl-beta-D-glucosaminyl)asparagine 336.1395 18.23 [M+H]+1 Arenamide A 336.7186 2.88 [M+2H]+2 N2-Formyl-N1-(5-phospho-β-D-ribosyl)glycinamide 337.0400 16.54 [M+Na]+1 Carpachromene 337.1085 16.33 [M+H]+1 9-methoxy-4,4-dimethyl-13-phenyl-6,14-dioxatetracyclo[8.4.0.0²,⁷.0³,⁵]tetradeca-1,7,9-trien-11-one 337.1451 15.34 [M+H]+1 SERATRODAST 337.1789 2.71 [M+H-H2O]+1 makaluvamine P 337.1789 2.70 [M+H]+1 2,3-DIMETHOXY-5-(DECYL-10-AL)-6-METHYL-1,4-BENZOQINONE 337.2000 2.66 [M+H]+1 3,17,20-Trihydroxypregnane 337.2729 2.64 [M+H]+1 Thenyldiamine 338.0492 3.90 [M+H]+1 suloctidil 338.2528 3.35 [M+H]+1 3'-Deoxythymidine-5'-monophosphate 339.0961 17.98 [M+NH4]+1 2,6-Diaminopurine 339.0961 17.96 [M+H]+1 resmethrin 339.1946 2.90 [M+H]+1 N-butyl-N-(1-(cyclohexylamino)-1-oxobutan-2-yl)-4-methylpentanamide 339.2998 42.79 [M+H]+1 Ascorbic acid 3-sulfate 340.0458 15.88 [M+H]+1 [Similar to: (S)-Equol; ΔMass: 96.9825 Da] 340.0841 2.06 [M+H]+1 Amide C22 340.3564 2.74 [M+H]+1 Phenylacetylglutamine 341.0300 16.41 [M+H]+1 6-Fluoro-4-hydroxy-5-[(2-hydroxyacryloyl)oxy]-3-{[hydroxy(methyl)phosphoryl]oxy}-1-cyclohexene-1-carboxylic acid 341.0431 15.31 [M+H]+1 TG(16:0/18:0/24:0) 341.9432 12.09 [M+H]+1 Methanone, (6-methoxy-1H-indol-3-yl)(3,4,5-trimethoxyphenyl)- 342.1325 2.42 [M+H]+1 Diprotin A 342.2377 13.31 [M+H]+1 trans-2-Dodecenoylcarnitine 342.2629 10.02 [M+H]+1 2-[4-(Carboxymethyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-11-yl]acetic acid 343.2332 18.86 [M+H]+1 TG O-22:6_22:1_22:2 343.3080 13.08 [M+3H]+3 3-hydroxy-6-[[(E)-3-hydroxy-2,4-dimethylhept-4-enoyl]amino]-2,4-dimethyl-5-oxohexanoic acid 344.2056 4.85 [M+H]+1 3-hydroxy-6-[[(E)-3-hydroxy-2,4-dimethylhept-4-enoyl]amino]-2,4-dimethyl-5-oxohexanoic acid_major 344.2058 3.67 [M+H]+1 Putative (3-hydroxyheptadecanoyl)glycine 344.2785 3.44 [M+H]+1 (10-METHYL-9-ANTHRYL)METHYL PIVALATE 345.1259 16.89 [M+K]+1 NP-016212 345.1381 16.26 [M+H]+1 Azinphos-ethyl 346.0459 17.00 [M+H]+1 1-(4-Chlorophenyl)-2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 346.1205 16.12 [M+H]+1 CDP-DG(i-16:0/18:1(9Z)-O(12,13)) 346.9374 8.31 [M+H]+1 2-Phosphonopropionic acid 346.9692 16.08 [M+Na]+1 Adenosine 5'-monophosphate 348.0694 17.17 [M+H]+1 Cephalexin 348.0997 15.34 [M+H]+1 Inosine-5'-monophosphate (IMP) 349.0534 17.19 [M+H]+1 5-Chloro-N2-[1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine 349.1095 14.74 [M+H]+1 Reducedriboflavin 349.1126 14.88 [M+H]+1 4-Dodecan-6-ylbenzenesulfonic Acid 349.1825 3.85 [M+Na]+1 Tetradeca-2,5,8-trienedioyl-CoA 349.5127 12.48 [M+H]+1 2,3-Diphosphoglyceric acid 350.0214 16.72 [M+H]+1 ISOPROPYLHYDRAZONE ALPHA-ISOPROPYLACRYLALDEHYDE 350.3256 1.13 [2M+ACN+H]+1 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-$l^{1}-selanyl-5-(methylaminomethyl)pyrimidin-4-one 351.0322 16.85 [M+H]+1 Pentafluoropropionic anhydride 352.0039 16.87 [M+H]+1 Epicillin 352.1333 14.34 [M+H]+1 Cysteinyl-Phenylalanine 352.1445 16.35 [M+H]+1 Erythrodiol 3-palmitate 352.3048 2.77 [M+H]+1 Thelephoric acid 353.0299 16.24 [M+H]+1 Viridin 353.1035 16.65 [M+H]+1 Hippuryl-L-arginine 353.1924 9.64 [M+H]+1 [FAdihydoxy(2:0/2:0)]6_9S-epoxy-11R_15S-dihydoxy-5Z_13E-prostadienoicacid 353.2313 2.84 [M+H]+1 13-DOCOSENOIC ACID METHYL ESTER 353.3406 2.58 [M+H]+1 2-Chloro-3'-deoxyadenosine 354.0586 16.43 [M+H]+1 (S)-N-Methylcanadine 354.1690 3.26 [M+H]+1 1,3,5-TRIS(CHROLODIMETHYLSILYL)BENZENE 355.0092 16.65 [M+H]+1 3-(3,4-Dihydroxyphenyl)-2,7,8-trihydroxy-1,4-dibenzofurandione 355.0456 16.20 [M+H]+1 thiamphenicol 356.0126 16.73 [M+H]+1 Cysteic acid 356.0427 16.17 [M+H]+1 Fluchloralin 356.0618 14.60 [M+H]+1 N-(1-Deoxy-1-fructosyl)methionine 356.0749 17.91 [M+H]+1 Cer 19:1;2O/2:0 356.3149 2.60 [M+H]+1 DG(16:1n7/0:0/18:3n6) 356.7867 9.16 [M+H]+1 CDP-DG(i-20:0/a-17:0) 356.9667 13.05 [M+H]+1 D-Malic acid p-coumarate 356.9817 12.46 [M+H]+1 vamorolone 357.2052 2.90 [M+H]+1 PEtOH 36:10 357.2134 2.96 [M+2H]+2 2'-Hydroxynicotine 357.2313 2.90 [M+3H]+3 Triglyme 357.2486 19.02 [2M+H]+1 PRP_M358b 358.0710 16.59 [M+H]+1 LPS 6:0 358.1275 2.41 [M+H]+1 PEtOH 36:9 358.2215 2.62 [M+2H]+2 2,3-Bis(octanoyloxy)propanimidic acid 358.2578 9.59 [M+H]+1 Putative (3-hydroxyoctadecanoyl)glycine 358.2941 3.45 [M+H]+1 DGCC 15:0_16:0 358.3009 11.47 [M+2H]+2 N(omega)-(ADP-D-ribosyl)-L-arginine 358.5928 19.57 [M+2H]+2 MMV011765 358.9986 16.78 [M+H]+1 [(3S,3Ar,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-ethylsulfanyl-1,2-dihydropyridine-3-carboxylate 359.0903 16.43 [M+H]+1 NAOrn 26:3/13:0 359.3090 11.60 [M+2H]+2 Aldophosphamide 360.0745 16.40 [M+ACN+Na]+1 α-Lactose 360.1491 16.45 [M+H]+1 Phaseollidinhydrate 360.1796 2.59 [M+NH4]+1 3-hydroxydodecanoyl carnitine 360.2736 9.95 [M+H]+1 Tris(2-chloroethyl) phosphate 360.8701 12.91 [M+H]+1 CDP-DG(18:1(9Z)-O(12,13)/i-19:0) 360.9562 14.68 [M+H]+1 Estrone-3,4-quinone 361.0587 16.45 [M+Na]+1 VAS2870 361.0875 17.87 [M+H]+1 2-(TRIMETHYLSILYL)OXYDODECANOIC ACID TRIMETHYLSILYL ESTER 361.2576 2.96 [M+H]+1 anabasamine 362.0942 16.07 [M+H]+1 mexazolam 363.0655 18.23 [M+H]+1 Clavamycin B 363.1500 17.56 [M+H]+1 Tetraethylene glycol monododecyl ether 363.3095 2.73 [M+H]+1 GMP 364.0643 17.89 [M+H]+1 N-[(5S)-5-Amino-5-carboxypentanoyl]-L-cysteinyl-D-valine 364.1536 17.39 [M+H]+1 Hexachloronaphthalene 364.8643 12.92 [M+H]+1 Attophos 364.9801 16.27 [M+H]+1 D-(+)-Maltose 365.1044 16.40 [M+H]+1 N-acetylmuramoyl-L-alanine 365.1562 3.27 [M+H]+1 (2R,5R)-2-[6-(Cyclopentylamino)-8-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol 365.1924 4.27 [M+H]+1 DGCC 16:0_16:0 365.3084 11.42 [M+2H]+2 S-(1,2-Dichlorovinyl)glutathione 366.0115 15.85 [M+H]+1 N2-(Pyrene-1-yl)methyl-guanine 366.1349 16.64 [M+H]+1 Timegadine 366.1747 9.16 [M+H]+1 6-HYDROXY-3,4-DIHYDRO-2-(3-ISOPROPYLAMINO-2-HYDROXYPROPYLOXY)ETHYL-2H-1-BENZOPYRAN 366.2627 3.44 [M+H]+1 PIP(18:2(9Z,12Z)/LTE4) 366.8362 12.84 [M+H]+1 3-Chloroperoxybenzoic acid 366.9744 16.05 [M+H]+1 6-Hydroxy-3-[(1Z)-3-(3-hydroxyphenyl)-3-oxo-1-propen-1-yl]-2-methoxyphenyl hydrogen sulfate 367.0466 7.34 [M+H]+1 [Acetyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]oxy hydrogen sulfate 367.0579 16.47 [M+Na]+1 2-Hydroxyestrone sulfate 367.1200 16.22 [M+H]+1 Lundurine A 367.1643 9.18 [M+H]+1 2-(PHENYLETHYNYL)-2-(PARA-TOLYL)-HEXAMETHYLTRISILANE 367.1718 9.22 [M+H]+1 MMV102872 368.0404 18.40 [M+H]+1 Fradafiban 368.1596 2.40 [M+H]+1 3, 5-Tetradecadiencarnitine 368.2783 4.65 [M+H]+1 Tetradecadienoylcarnitine 368.2784 3.42 [M+H]+1 N-Dodecane 368.4448 12.02 [M+H]+1 CE(13D3) 368.8334 12.79 [M+H]+1 3-O-Methylfluorescein 369.0725 15.27 [M+Na]+1 1-Hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrole-3-carboxamide 369.2486 18.97 [2M+H]+1 2-Methyl-2-propanyl (2S)-2-[1-azido-4-(tetrahydro-2H-pyran-2-yloxy)butyl]-1-pyrrolidinecarboxylate 369.2488 19.65 [M+H]+1 2,2,4-Trimethyldecane 369.4433 12.40 [M+H]+1 cis-5-Tetradecenoylcarnitine 370.2941 3.40 [M+H]+1 3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione 371.0352 17.45 [M+H]+1 3(2'-Chlorophenyl)-7-hydroxy-4-phenylcoumarin 371.0460 16.33 [M+Na]+1 4-Fluorocinnamic acid 371.0461 16.50 [M+ACN+Na]+1 Octaethylene glycol 371.2256 4.58 [M+H]+1 Dodecylamine 371.4405 12.05 [M+H]+1 TG(22:0/24:0/24:1(15Z)) 372.0299 16.83 [M+Na]+1 Oleoyltaurine 372.2580 4.35 [M+H]+1 Succinylcholine 372.2581 4.07 [M+H]+1 Myristoylcarnitine 372.3097 3.39 [M+H]+1 Proquinazid 373.0395 16.69 [M+H]+1 Indole-3-acetylglutamic acid 373.1006 13.96 [M+H]+1 Sedoheptulose 7-phosphate 373.1007 13.93 [M+Na]+1 Diguanosine diphosphate 374.0359 16.46 [M+H]+1 Hyloin_L1 374.2312 7.20 [M+H]+1 Enalapril 377.2061 3.27 [M+H]+1 Cyclic GMP 378.0789 16.52 [M+H]+1 3-ETHOXY-6-(1,5-DIHYDROXY-5-METHYL-4-PHENYLTHIOHEXYL)-2-CYCLOHEXEN-1-ONE 379.1941 16.13 [M+H]+1 Trichlormethiazide 379.9080 12.18 [M+H]+1 TG(i-24:0/i-24:0/22:0) 380.0271 15.92 [M+H]+1 (R)-S-Lactoylglutathione 380.1111 16.57 [M+H]+1 3-(Dichloromethylene)-2,5-pyrrolidinedione 380.9063 12.38 [M+H]+1 N-Acetylaspartylglutamic acid 381.0111 13.39 [M+H+MeOH]+1 N-((2-(2-Fluoroethoxy)phenyl)methyl)-N-(4-phenoxy-3-pyridinyl)acetamide 381.1623 9.91 [M+H]+1 Upadacitinib 381.1664 12.23 [M+H]+1 [(2S,3S,5R)-3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2S,3S)-2-amino-3-methylpentanoate 381.1874 8.56 [M+H]+1 F5231 382.0564 16.55 [M+H]+1 N-(((2,7-Dimethyl-9H-fluoren-9-yl)methoxy)carbonyl)-L-leucine 382.2002 3.25 [M+H]+1 Vanillic acid glucuronide 383.0403 16.40 [M+H]+1 Enterodiol sulfate 383.1151 16.48 [M+H]+1 Brinzolamide 384.0721 16.49 [M+H]+1 3-Hydroxy-5, 8-tetradecadiencarnitine 384.2735 9.68 [M+H]+1 D-Glucose 1,6-bisphosphate 384.9688 13.75 [M+H]+1 Nitroquine 385.0354 16.28 [M+Na]+1 3-C-Carboxy-2-deoxy-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]pentaric acid 385.0769 4.73 [M+H]+1 PG O-26:5_11:0 385.2729 3.43 [M+2H]+2 Hydroxylansoprazole 386.0763 13.17 [M+H]+1 3-Desmethylcolchicine 386.1586 2.38 [M+H]+1 4-Isopropylphenserine 386.2389 16.43 [M+H]+1 3-Hydroxy-cis-5-tetradecenoylcarnitine 386.2891 9.49 [M+H]+1 Pentadecanoylcarnitine 386.3257 42.36 [M+H]+1 N-(1-Deoxy-1-fructosyl)tyrosine 388.0946 16.58 [M+H]+1 4-[4-(Quinolin-2-ylmethoxy)phenyl]sulfanylbenzoic Acid 388.1008 16.72 [M+H]+1 TEB_M388 388.1169 16.62 [M+H]+1 2-Hydroxymyristoylcarnitine 388.3049 9.77 [M+H]+1 4-O-beta-D-Galactopyranosyl-D-xylose 389.0288 7.46 [M+H]+1 Malvidin 389.0397 14.00 [M+Na]+1 beta-Apopolygamatin 389.1010 16.62 [M+Na]+1 6-HYDROXYFLAVANONE HYDROGENEPHTHALATE 389.1013 16.50 [M+H]+1 Glycylprolylarginine 389.2530 2.90 [M+3H]+3 Cyclothiazide 390.0325 7.30 [M+H]+1 5-Fluorodeoxyuridine monophosphate 390.0502 14.41 [M+H]+1 (2S)-2-Hydroxy-3-butenyl-glucosinolate 390.0504 14.10 [M+H]+1 Cefprozil 390.1102 13.50 [M+H]+1 (2Z,4Z,10Z)-N-Isobutyl-2,4,10-docosatrienamide 390.3727 12.13 [M+H]+1 DG(24:0/0:0/22:1n9) 390.8808 12.93 [M+H]+1 PRZ_M392a 392.0332 17.11 [M+H]+1 Inosine 2'-phosphate 393.0172 17.94 [M+H]+1 Auda 393.3105 42.45 [M+H]+1 dichloroarcyriaflavin A 394.0145 16.50 [M+H]+1 Arotinolol 394.0688 16.45 [M+Na]+1 2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide 394.2940 3.35 [M+H]+1 Niazicin A 394.6483 12.14 [M+H]+1 1,3,8-Trihydroxy-4-methyl-2,7-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one 395.1841 2.59 [M+H]+1 Adenosine thiamine triphosphate 396.0222 16.32 [M+H]+1 Velagliflozin 396.1794 2.40 [M+H]+1 9,12-Hexadecadienoylcarnitine 396.3097 3.33 [M+H]+1 S-Lactoylglutathione 397.1381 2.76 [M+H]+1 Phenylalanyltyrosine 397.1383 2.42 [M+H]+1 Dysidin 398.0698 16.32 [M+H]+1 trans-Hexadec-2-enoyl carnitine 398.3254 3.31 [M+H]+1 4-(5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl)-2-hydroxy-6-methoxyphenyl hydrogen sulfate 399.0363 13.75 [M+H]+1 Tris(2-butoxyethyl) phosphate 399.2495 42.28 [M+H]+1 2-Phosphoglyceric acid 400.0095 11.03 [M+H]+1 Deferitazole 400.1441 19.30 [M+H]+1 Ochrephilone 400.2109 3.09 [M+NH4]+1 [FA]O-Palmitoyl-R-carnitine 400.3410 3.29 [M+H]+1 Palmitoylcarnitine 400.3412 9.68 [M+H]+1 SM(d18:1/20:0) 400.8372 12.15 [M+H]+1 NCGC00381414-01_C18H21ClO8_1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 13-chloro-3,4,5,8,9,10-hexahydro-5,8,9,14,16-pentahydroxy-3-methyl-, (6E)- 401.0997 3.26 [M+H]+1 Harzianum A 401.1950 2.90 [M+H]+1 CDP-DG(PGJ2/a-25:0) 401.6380 12.15 [M+H]+1 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate 401.9782 13.88 [M+H]+1 Schiff base 402.2265 2.70 [M+NH4]+1 (5-benzoyloxy-3-chloro-4,6-dihydroxycyclohexen-1-yl)methyl benzoate 403.0956 7.22 [M+H]+1 Ganglioside GM3 (d18:1/20:0) 403.9281 2.87 [M+3H]+3 10-[3-(4-Methyl-1(4H)-pyrazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine 404.1416 9.57 [M+H]+1 UDP 405.0084 19.11 [M+H]+1 Bentiromide 405.1450 9.38 [M+H]+1 p38 MAP Kinase Inhibitor 407.1064 17.51 [M+ACN+H]+1 Guanosine monophosphate 408.0287 17.21 [2M+NH4]+1 Guanosine 3'-monophosphate 408.0332 15.32 [M+H]+1 flazasulfuron 408.0584 14.13 [M+H]+1 2-(4-BROMOPHENYL)-2-OXOETHYL 12-OXODODEC-9(Z)-ENOATE 409.0989 16.67 [M+H]+1 (3Z)-3-({6-[2-(Dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl}methylene)-6,7-dimethoxy-1-isoindolinone 409.1748 2.42 [M+H-H2O]+1 CDP 410.0375 16.08 [M+H]+1 Eszopiclone 411.0943 15.29 [M+Na]+1 aloenin 411.1265 17.93 [M+H]+1 Brucine N-oxide 411.1903 2.39 [M+H]+1 PS(18:1(12Z)-2OH(9,10)/18:0) 411.7793 0.89 [M+H]+1 Dihydroneopterin phosphate 411.9819 11.97 [M+H]+1 Carboxycelecoxib 412.0593 2.39 [M+H]+1 3-Hydroxyhexadecadienoylcarnitine 412.3048 10.44 [M+H]+1 3',5'-Diiodo-L-thyronine-beta-D-glucuronoside 413.0039 16.17 [M+H]+1 Zileuton O-glucuronide 413.1011 1.90 [M+H]+1 N6-Threonylcarbamoyladenosine 413.1422 17.21 [M+H]+1 21-Deoxycortisone 413.1948 2.70 [M+H]+1 1-[2-Amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea 414.2266 2.57 [M+NH4]+1 3-Hydroxy-9-hexadecenoylcarnitine 414.3205 9.06 [M+H]+1 D-myo-inositol (1,3,4)-trisphosphate 414.9251 12.96 [M+DMSO+H]+1 1,2-DIETHYNYL-1,1,2,2-TETRAPHENYLDISILANE 415.1339 18.97 [M+H]+1 Dideoxycytidine 5'-Triphosphate 415.9942 13.78 [M+H]+1 N-Benzoyl-D-arginine-4-nitroanilide 416.2060 3.24 [M+NH4]+1 Smenospongin C 416.2421 2.69 [M+H]+1 beraprost 416.2421 2.69 [M+NH4]+1 N-Eicosapentaenoyl Methionine 416.2633 2.82 [M+H]+1 3-Hydroxyhexadecanoylcarnitine 416.3361 9.03 [M+H]+1 Flucofuron 416.9976 13.93 [M+H]+1 Kynurenic acid 417.0489 16.34 [M+H]+1 Cloricromen 418.1389 15.32 [M+Na]+1 Temafloxacin 418.1389 15.27 [M+H]+1 Decoquinate 418.2573 7.12 [M+H]+1 Coenzyme Q9 418.8288 12.90 [M+H]+1 LPI 5:0 419.1299 7.28 [M+H]+1 Cyclomorusin 419.1480 15.34 [M+H]+1 Cligosiban 420.1238 18.87 [M+H]+1 Hydroxysphingomyeline C22:2 420.8260 12.78 [M+H]+1 Vismodegib 421.0186 13.78 [M+H]+1 Dityrosine 421.1960 4.17 [M+H]+1 7-Methylguanosine 5'-diphosphate 422.0279 16.46 [M+H]+1 3,4-Dimethoxy-N-(4-(3-nitrophenyl)thiazol-2-yl)benzenesulfonamide 422.0489 15.82 [M+H]+1 Gamma-linolenyl carnitine 422.3254 3.31 [M+H]+1 1,1-Dibromo-3-iodo-2-propanone 422.8229 12.93 [M+H]+1 Glucoiberin 423.0331 16.38 [M+H]+1 Succinic acid, sulfo-, 1,4-dioctyl ester 423.2431 16.04 [M+H]+1 Gluconasturtiin 424.0750 16.58 [M+H]+1 S-(1,2-Dicarboxyethyl)glutathione 424.1010 19.04 [M+H]+1 Urapidil hydrochloride 424.2106 2.44 [M+H]+1 Linoleyl carnitine 424.3411 3.30 [M+H]+1 Nervonoylacetone 424.4083 22.28 [M+H]+1 MMV024195 425.2136 45.02 [M+H]+1 N-Octanoylsphingosine 425.4207 22.24 [M+H]+1 PE 13:0 426.2266 2.37 [M+H]+1 2-Hydroxyhexadecanoylcarnitine 426.3568 3.29 [M+H]+1 PE(18:3(9,11,15)-OH(13)/DiMe(13,5)) 426.7920 12.84 [M+H]+1 Hydroxy-2-naphthalenylmethylphosphonic acid tris-acetoxymethyl ester 427.0778 16.41 [M+H]+1 S-glutathionyl-L-cysteine 427.0946 19.24 [M+H]+1 Adenosine phosphosulfate 428.0188 12.50 [M+H]+1 Adenosine diphosphate (ADP) 428.0358 22.76 [M+H]+1 PC 72:7 428.0373 3.28 [M+3H]+3 C18-Carnitine 428.3724 9.56 [M+H]+1 Heptafluorobutyric acid 428.9725 15.63 [M+Na]+1 [8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate 429.1899 2.89 [M+H]+1 L-Acetylcarnitine 429.2200 14.00 [M+H]+1 N-Myristoyl Histidine 429.2838 3.14 [M+H]+1 Carneamide B 430.2110 11.49 [M+H]+1 2',3'-Dideoxythymidine triphosphate 430.9881 15.91 [M+H]+1 4α-Hydroxymethyl-4β-methyl-5α-cholesta-8-en-3β-ol 431.3864 12.78 [M+H]+1 Bis(4-ethylbenzylidene)sorbitol 432.2370 4.18 [M+NH4]+1 Tropolone A 432.2371 2.90 [M+H]+1 Eplerenone 432.2371 3.67 [M+NH4]+1 TG(16:0_35:1) 432.9113 12.03 [M+H]+1 5-Chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine 433.0498 18.36 [M+H]+1 Iresinin I 436.1169 18.33 [M+2H]+2 Exatecan 436.1667 17.39 [M+H]+1 PE O-28:1_18:0 436.8783 17.29 [M+2H]+2 Ponceau MX 437.0487 16.19 [M+H]+1 6,8-Dimethoxy-7-oxo-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-1-yl hydrogen sulfate 437.0541 16.47 [M+H]+1 (1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-11-(cyclohexylcarbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 437.1923 3.15 [M+H]+1 Ganglioside GM3 (d18:0/24:0) 438.0520 16.17 [M+H]+1 Disaccharide(Hex-Pen) + C4H5N3O2 438.1346 17.24 [M+H]+1 MMV020512 438.1788 15.29 [M+Na]+1 22-hydroxydocosanoate 438.3780 2.74 [M+H]+1 3-Iodothyroacetic acid 438.9699 12.93 [M+H]+1 riboflavin cyclic 4',5'-phosphate 439.1003 16.64 [M+H]+1 Pentadecanol 439.4824 12.44 [M+H]+1 NAGly 13:1/10:0 440.3362 10.30 [M+H]+1 7-Methylguanosine 5'-phosphate 441.0937 16.22 [M+H]+1 3-Hydroxy-11Z-octadecenoylcarnitine 442.3512 10.24 [M+H]+1 Bilirubin glucuronide 442.6961 12.26 [M+H]+1 Uridine 5'-diphosphate 442.9593 14.71 [M+H]+1 NCGC00380154-01! [IIN-based: Match] 444.1656 2.38 [M+H]+1 Perfluoro-3,5,7,9,11-pentaoxadodecanoic acid 444.9594 15.98 [M+H]+1 Perfluorooctyl phosphate 444.9871 4.04 [M+H]+1 [(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] octadec-9-enoate 445.3139 2.89 [M+H]+1 NAGlySer 26:2/23:0 445.3835 12.55 [M+2H]+2 phosphinomethylmalate 445.9991 16.58 [M+H]+1 Guanosine tetraphosphate adenosine 446.0046 13.66 [M+H]+1 (2S,3S,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-2-(2,2-dimethylmorpholino)-3-hydroxy-10,13-dimethylhexadecahydro-11H-cyclopenta[a]phenanthren-11-one 446.3255 3.28 [M+H]+1 Sodiumpyrophosphatedecahydrate 446.9832 16.23 [M+H]+1 CDP-ethanolamine 447.0668 17.75 [M+H]+1 Pentanoyl-CoA 447.1076 16.44 [M+H]+1 Estroneglucuronide 447.2005 3.86 [M+H]+1 Salicyluric beta-D-glucuronide 448.0148 15.88 [M+H]+1 Amuvatinib 448.1424 16.11 [M+H]+1 Roxifiban 448.2172 42.47 [M+H]+1 HexCer 14:1;2O/2:0 448.2894 3.53 [M+H]+1 Esculeogenin A 448.3413 9.53 [M+H]+1 MG(18:1(12Z)-2OH(9,10)/0:0/0:0) 449.3475 2.72 [M+H]+1 MGDG O-28:1_17:0 449.3901 12.46 [M+2H]+2 Capravirine 451.0757 15.27 [M+H]+1 Suvorexant 451.1664 17.39 [M+H]+1 Orotidylic acid 452.0790 15.25 [M+H]+1 Flucythrinate 452.1646 17.85 [M+H]+1 Cer-NP t27:3 452.3726 3.30 [M+H]+1 Spermic acid 1 452.3936 2.73 [M+H]+1 2a,7-Dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate 453.1666 3.12 [M+H]+1 4-oxopentanoyl-CoA 454.0959 17.31 [M+H]+1 Cer-NP t27:2 454.3883 3.29 [M+H]+1 3-Hydroxyvaleryl-CoA 455.1039 13.95 [M+H]+1 Zatebradine 457.2707 12.22 [M+H]+1 Adenylylselenate 457.9550 16.67 [M+H]+1 2-ACETYL-2-DECARBAMOYLOXYTETRACYCLINE 460.1608 15.29 [M+H]+1 ST 24:4;O4;G 460.2685 4.03 [M+H]+1 Glutaryl-CoA 460.5654 12.20 [M+H]+1 N-Desmethyl sildenafil (UK-103,320) 461.1974 16.17 [M+H]+1 Nb-Arachidoyltryptamine 461.4102 12.28 [M+H]+1 Phosphatidylserine 462.0305 15.19 [M+H]+1 Azlocillin 462.1458 2.48 [M+H]+1 11-(hydroxymethyl)-2,6,6,14,19-pentamethyl-7,16,18-trioxapentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁷,²¹]henicosa-5(10),11-diene-3,8,15,20-tetrone 462.2114 3.26 [M+NH4]+1 Glutaconyl-CoA 462.5624 12.20 [M+H]+1 Thiamine pyrophosphate 463.0144 13.44 [M+H+MeOH]+1 L-Cystine 463.0507 15.30 [M+2H]+2 1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl- 463.9782 13.75 [M+H]+1 Adenylo-succinate 464.0804 19.10 [M+H]+1 Alanine conjugated chenodeoxycholic acid 464.3357 12.92 [M+H]+1 Malyl-CoA 464.5595 12.25 [M+H]+1 Perfluorononanoic acid 464.9757 13.77 [M+H]+1 Stavudine triphosphate 464.9852 12.44 [M+H]+1 sphingosylphosphorylcholine 465.3475 12.81 [M+H]+1 TG(18:3(6Z,9Z,12Z)/O-18:0/20:4(5Z,8Z,11Z,14Z)) 466.9180 13.00 [M+H]+1 Ribavirin 5'-triphosphate 466.9823 11.99 [M+H]+1 Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone 468.2147 15.32 [M+H]+1 L-Citramalyl-CoA 468.5549 12.26 [M+H]+1 dUTP 468.9793 12.46 [M+H]+1 tartrazine acid 469.0126 16.75 [M+H]+1 dGTP 471.9899 15.63 [M+2H]+2 nona-2,4,6-trienoyl-CoA 472.1135 13.99 [M+H]+1 HexCer 16:3;2O/2:0 472.2896 2.53 [M+H]+1 Sipeimine, 3-Ac 472.3412 3.28 [M+H]+1 PGP(20:4(5Z,7E,11Z,14Z)-OH(9)/i-20:0) 473.2638 3.32 [M+H]+1 CAR 22:5 475.3632 2.74 [M+H]+1 FA 32:3 475.4501 12.06 [M+H]+1 S-Selanyl Cysteine-CoA; (Acyl-CoA); [M+H]+; 476.0281 16.16 [M+2H]+2 NCGC00380653-01_C25H33NO6_(2R,2'R,4a'S,6'S,8a'S)-4,6'-Dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3,3',4',4a',5',6,6',7,7',8,8',8a'-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7'-yl acetate 476.2635 3.24 [M+H+MeOH]+1 PA(19:2(10Z,13Z)/LTE4) 476.7877 12.94 [M+H]+1 4-Nitrophenyl phosphate 476.9468 12.97 [M+H]+1 MGDG 14:0 479.2831 14.12 [M+H]+1 Sucralose 480.0730 16.29 [M+H]+1 PS(PGD1/22:1(13Z)) 480.7818 12.93 [M+H]+1 Cer-NP t63:1 480.9879 13.78 [M+2H]+2 CE 40:0 481.4897 13.78 [M+2H]+2 Cycloprothrin 482.0911 17.18 [M+H]+1 NCGC00385533-01![2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 482.1428 15.28 [M+2H]+2 LysoPC(15:0/0:0) 482.3235 10.53 [M+H]+1 N-Eicosapentaenoyl Proline 482.3390 12.11 [M+H]+1 Seletalisib 483.0951 17.02 [M+H]+1 2-(4-METHOXYPHENYL)ETHYL 2,3,4,6-TETRA-O-ACETYL-ALPHA-(D)-GLUCOPYRANOSIDE 483.1863 16.57 [M+H]+1 4-Hydroxydodecanoyl-CoA 483.6460 2.88 [M+3H]+3 UTP 484.9754 16.22 [M+H]+1 1-O,6-O-Digalloyl-β-D-glucose 485.0920 16.64 [M+H]+1 Hexachlorophene 486.9130 12.39 [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 487.1430 17.88 [M+H]+1 Glucosylgalactosyl hydroxylysine 487.2134 22.42 [M+H]+1 Glycocholic acid 488.3001 9.35 [M+H]+1 Cytidine 5'-diphosphocholine 489.1140 17.61 [2M+H]+1 PGP(PGD2/i-20:0) 489.2587 3.22 [M+H]+1 Palmitoleamide 489.4927 13.78 [M+2H]+2 Penta-O-galloyl-alpha-D-glucopyranose 490.0365 15.29 [M+H]+1 dG-C8-PhIP 490.1967 15.36 [M+H]+1 DrugBank-DB02689-CoA; (Acyl-CoA); [M+H]+; 490.5773 18.06 [M+2H]+2 Uridine triphosphate 490.9851 17.48 [M+Na]+1 2,6-Dichloro-N-[4-chloro-3-(2-dimethylaminoethoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide 490.9949 16.46 [M+H]+1 2,4-dinitrophenyl-S-glutathione 492.0413 15.79 [M+H]+1 Carminered;Carminicacid 493.0976 15.29 [M+H]+1 Adenylosuccinic acid 496.1072 16.50 [M+H]+1 PE 19:0e 496.3389 3.45 [M+H]+1 1-Palmitoylglycerophosphocholine 496.3392 4.77 [M+H]+1 TG(15:0/20:0/18:4(6Z,9Z,12Z,15Z)) 496.9287 12.87 [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) 497.0587 4.99 [M+H]+1 Ceridimine 497.2932 13.06 [M+H]+1 8,10-Tritriacontanediol 497.5314 12.28 [M+H]+1 7-Aflatoxin B1-fapyguanine 498.1234 16.74 [M+H]+1 "2-((4R)-4-((3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid" 498.2875 11.26 [M+H]+1 N-Docosahexaenoyl phenylalanine 498.2969 13.07 [M+H]+1 5-Hydroxyflavone 499.1080 16.46 [M+H]+1 NCGC00385789-01_C26H42O9_5,6,16-Trihydroxygrayanotox-10-en-3-yl hexopyranoside 499.2905 13.03 [M+H]+1 Cyanidin 3-xyloside 501.1515 15.33 [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 501.1587 17.88 [M+H]+1 Adavosertib 501.2720 12.25 [M+H]+1 NCGC00380774-01_C22H27ClO7_ 502.1624 17.85 [M+ACN+Na]+1 Fructose-6-Phosphate 503.0611 13.43 [M+H]+1 Doconazole 503.0892 16.81 [M+Na]+1 8-(4-Chlorophenylthio)-cAMP 504.0524 15.83 [M+H]+1 (2-Iodo-5-nitrophenyl)(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone 504.0774 13.20 [M+H]+1 Lysyl-aspartyl-glutamyl-leucine 504.2677 12.23 [M+H]+1 J Acid urea 505.0367 16.39 [M+H]+1 Malvidin 3-arabinoside 505.1600 16.40 [M+H]+1 1-eicosanoyl-glycero-3-phosphate 505.2663 12.22 [M+H]+1 lusidol_B 511.1740 16.44 [M+H]+1 Arginyl-glycyl-glutamyl-serine 511.2229 13.97 [M+H]+1 Tripelargonin 513.4147 12.21 [M+H]+1 CDP-DG(18:1(12Z)-2OH(9,10)/i-14:0) 514.7322 12.25 [M+H]+1 SM 56:1;3O 514.9658 16.29 [M+2H]+2 5-amino-2-(3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl)-5-oxopentanoic acid 515.2745 3.08 [M+H]+1 TG 16:1_18:0_30:0 515.4949 13.77 [M+2H]+2 Pyridoxine 5'-phosphate 516.1210 16.82 [M+H]+1 Taurocholate 516.2985 11.13 [M+H]+1 Cortisol 21-mesylate 517.1051 16.97 [M+H]+1 PA 23:3 517.2902 3.07 [M+H]+1 2-Methylthio-adenosine-5'-diphosphate 517.9885 12.46 [M+H]+1 DGCC 28:0_26:1 518.4723 13.80 [M+2H]+2 Cer-EOS d68:5 518.9850 16.32 [M+2H]+2 CL(i-16:0/a-17:0/20:0/24:0) 520.0555 16.09 [M+H]+1 Ceforanide 520.1054 16.69 [M+H]+1 Adrenoylcarnitine 520.3320 4.70 [M+H]+1 PE 21:2e 520.3391 3.43 [M+H]+1 1-Linoleoylglycerophosphocholine 520.3392 10.25 [M+H]+1 TG(14:0/18:1(11Z)/24:0) 520.9734 12.94 [M+H]+1 Avagacestat 521.0664 17.94 [M+H]+1 MGDG 17:0 521.3342 3.89 [M+H]+1 SM d58:0 521.9897 13.78 [M+2H]+2 D-Raffinose 522.2025 18.13 [M+NH4]+1 1-Oleoylglycerophosphocholine 522.3549 10.20 [M+H]+1 5-phosphonooxy-L-lysine 523.0971 16.31 [M+ACN+H]+1 5-Methyltetrahydrofolic acid 523.2000 12.24 [M+H]+1 Stearyl citrate 523.3317 4.67 [M+H]+1 Cer-NP t69:0 524.0431 15.24 [M+2H]+2 Hapten 524.1498 16.55 [M+H]+1 PE 21:0e 524.3704 3.41 [M+H]+1 6-Mercaptopurine ribonucleoside triphosphate 524.9627 14.68 [M+H]+1 [4a,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate 525.1972 12.25 [M+H]+1 9-Hydroxy-9-methoxycarbonyl-8-methyl-14-n-propoxy-2,3,9,10-tetrahydro-8,11-epoxy-1H,8H,11H-2,7b,11a-triazadibenzo(a,g)cycloocta(cde)trinden-1-one 526.1950 12.25 [M+H]+1 LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 526.2920 3.43 [M+H]+1 TG 16:1_18:3_32:0 526.4861 13.78 [M+2H]+2 HexCer 22:1;2O/36:0;O 526.9772 13.66 [M+2H]+2 Peonidin 3-(6''-acetyl)glucoside 528.1260 16.62 [M+Na]+1 Fesoterodine fumarate (Toviaz) 528.2951 3.22 [M+H]+1 N-stearoyl-sphingadienine 528.5130 16.32 [M+2H]+2 ((Perfluorooctyl)ethyl)phosphonic acid 528.9867 16.13 [M+H]+1 Cytidine 5_-triphosphate 530.9812 14.87 [M+H]+1 D-Glucuronic acid 1-phosphate 531.0215 15.94 [M+H]+1 Glycerophosphoglycerol 531.0647 16.42 [M+Na]+1 [SThydrox]N-(3alpha-hydroxy-5beta-cholan-24-oyl)-glycine3-sulfate 531.3094 10.89 [M+NH4]+1 HexCer 21:3;2O/38:0;O 531.9646 13.04 [M+2H]+2 cefsulodin 533.0792 15.27 [M+H]+1 ST 24:1;O4;T 533.3249 3.32 [M+NH4]+1 PA 24:2 533.3250 10.82 [M+H]+1 DG 35:0_34:9 535.4821 14.04 [M+2H]+2 (R)-4A-(Ethoxymethyl)-1-(4-fluorophenyl)-6-((4-(trifluoromethyl)phenyl)sulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinoline 536.1649 2.47 [M+H]+1 Setipafant 536.1651 2.48 [M+NH4]+1 HexCer 8:0;3O/12:1;(2OH) 536.3422 12.24 [M+H]+1 N-Nervonoyl Lysine 536.4956 12.22 [M+H]+1 Dimethyl cystine 537.1075 13.96 [M+H]+1 L-Homocystine 537.1075 13.93 [M+2H]+2 1-4-beta-D-Glucan 537.1685 11.03 [M+H]+1 PIP(18:3(9Z,12Z,15Z)/PGJ2) 537.2589 3.61 [M+H]+1 PIP2(20:1(11Z)/18:1(9Z)) 537.2590 4.21 [M+H]+1 TG 16:1_18:3_34:3 537.4771 13.77 [M+2H]+2 5-Methylthioribose 1-phosphate 538.0427 16.43 [M+H]+1 CDP-ribitol 538.0831 17.83 [M+H]+1 N-[4,5-dihydroxy-2-({4-[hydroxy(phenyl)methyl]-5-oxo-3-phenyl-2,5-dihydrofuran-2-yl}oxy)-6-(methoxymethyl)oxan-3-yl]acetamide 538.1454 2.50 [M+H]+1 Glutamylcysteine 539.0870 16.94 [M+H]+1 γ-L-Glutamyl-L-cysteine 539.0872 16.93 [2M+K]+1 Cysteinyl-Glutamate 539.0873 16.51 [M+Na]+1 5-Carboxypyranopelargonidin 3-O-beta-glucopyranoside 540.0710 16.96 [M+H]+1 Ellagic acid acetyl-arabinoside 540.0712 16.47 [M+Na]+1 4-methylpentadecanoic acid 540.4909 12.15 [M+H]+1 HexCer 22:1;2O/38:0;O 540.9933 16.19 [M+2H]+2 D-Glucosamine-6-phosphate 541.0754 16.49 [M+H]+1 CyclicADP-ribose 542.0674 17.39 [M+H]+1 Retinyl palmitate 542.4883 12.26 [M+H]+1 Cer-NP t33:0 542.5138 12.10 [M+H]+1 CL(16:0/18:0/22:0/22:0) 542.7097 12.83 [M+H]+1 Chicoric acid 543.0714 16.73 [M+H]+1 Chamaechromone 543.1302 12.26 [M+H]+1 Cer 35:3;2O/40:11 543.9817 14.81 [M+2H]+2 HexCer-NS d62:4 543.9867 13.08 [M+2H]+2 Glyphosine 544.0339 15.78 [M+H]+1 LysoPC(20:4(5Z,8Z,11Z,14Z)/0:0) 544.3391 3.41 [M+H]+1 2-Cl-IB-Meca 545.0179 13.04 [M+H]+1 Uridine diphosphate glucuronic acid 545.0181 13.51 [M+H]+1 Bicornin 545.0541 15.30 [M+2H]+2 Eumelanins 545.0783 7.55 [M+H]+1 NCGC00386014-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]-2-(4-hydroxyphenoxy)oxan-3-yl] 3,4,5-trihydroxybenzoate 545.1278 12.24 [M+H]+1 HexCer 21:3;2O/40:0;O 545.9818 13.76 [M+2H]+2 dTDP-beta-L-vancosamine 546.1268 12.27 [M+H]+1 Adenylsuccinic acid 546.1320 16.60 [M+H]+1 5-Fluorouridine 5'-triphosphate 546.9169 31.08 [M+H]+1 Octadecenoic acid 547.5041 14.49 [M+H]+1 Oleic acid 547.5042 14.00 [M+2H]+2 Fructose 3-phosphate 548.0790 16.48 [M+H]+1 LPS 20:3 548.3005 2.54 [M+H]+1 2-[(3-Iodophenyl)methyl]-1-[[N'-[(3-iodophenyl)methyl]carbamimidoyl]amino]guanidine 548.9754 13.75 [M+H]+1 Carboxydextran 549.1674 19.26 [M+H]+1 Shikimic acid 3-phosphate 550.0623 12.60 [M+H]+1 TG 16:1_18:0_35:0 550.5316 15.20 [M+2H]+2 CDP-N-dimethylethanolamine 551.0922 16.69 [M+H]+1 Imcarbofos 551.0923 16.69 [M+Na]+1 B-Raf inhibitor 553.2538 3.48 [M+H]+1 CDP-glycerol 553.9924 15.62 [M+2H]+2 Tolrestat-CoA; (Acyl-CoA); [M+H]+; 554.0893 15.28 [M+2H]+2 Dibutyryl cyclic GMP 554.1161 14.00 [M+H]+1 7-Benzyl-4-[(2-hydroxy-4-methylpentanoyl)amino]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid 554.2848 3.07 [M+H]+1 DG 36:5_36:6 554.4856 13.77 [M+2H]+2 HexCer-AP t61:2 554.9875 13.77 [M+2H]+2 Ceftriaxone 555.0543 11.60 [M+H]+1 Ganglioside GA2 (d18:1/18:0) 555.8885 8.22 [M+H]+1 Lacto-N-hexaose 556.1675 16.55 [M+Na]+1 Cer 37:3;2O/40:11 557.9970 16.26 [M+2H]+2 NCGC00347572-02_C30H39NO9_Pentanedioic acid, 2-[(2R,2'R,6'S,8a'S)-6'-(acetyloxy)-3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4-hydroxy-2',5',5',8'a-tetramethyl-6-oxospiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-7(3H)-yl]-, (2S)- 558.2688 12.24 [M+H]+1 Cer-NS d36:5 558.4870 12.21 [M+H]+1 HexCer 21:3;2O/42:1;O 558.9910 12.90 [M+2H]+2 PC 60:5 559.4730 13.77 [M+2H]+2 FAHFA 36:4 559.4737 13.73 [M+H]+1 HexCer-NS d64:2 560.0185 16.28 [M+2H]+2 TG(i-24:0/i-24:0/i-21:0) 560.0531 16.16 [M+2H]+2 1-(5-Phospho-β-D-ribosyl)-AMP 560.0778 17.02 [M+H]+1 Trisaccharides (Hex-Hex-AcetylHexA) 561.1648 12.24 [M+H]+1 HexCer 37:3;2O/28:3 562.9905 13.79 [M+2H]+2 TG 16:1_18:2_38:6 563.4918 13.80 [M+2H]+2 DG 37:0_36:9 563.5137 16.11 [M+2H]+2 4-Pyridoxic acid 5'-phosphate 564.9857 13.82 [M+H]+1 Cytidine-5'-diphosphocholine 565.0314 16.36 [M+H]+1 UDP-alpha-D-galactose 565.0528 16.46 [M+Na]+1 3,8-Divinyl-2,7,12,18-tetramethyl-21H,22H,23H,24H-porphyrin-13,17-dipropanoic acid 565.2836 3.61 [M+H]+1 euphodendroidin W 565.3005 3.08 [M+H]+1 FAHFA 36:1 565.5192 12.52 [M+H]+1 6-Thioguanosine-5'- O- triphosphate 565.9841 13.98 [M+H]+1 UDP-α-D-kanosamine 566.0774 18.05 [M+H]+1 PE 64:3 567.9893 16.09 [M+2H]+2 LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 568.3384 3.36 [M+H]+1 DG 38:0_36:10 569.5137 16.32 [M+2H]+2 Caged insp3 570.0187 16.63 [M+H]+1 DG 38:0_36:9 570.5213 15.50 [M+2H]+2 TG(18:2(9Z,12Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z)) 570.9915 12.45 [M+H]+1 PE 64:0 571.0131 13.15 [M+2H]+2 Digeranyl 571.5360 16.32 [M+2H]+2 Phosphocitrate 571.9900 11.96 [M+H]+1 S-(2-Benzothiazolyl)cysteine 572.0396 15.31 [M+K]+1 SL 22:2;O/10:0 572.4360 3.10 [M+H]+1 2',3'-Dialdehyde ATP 573.9681 13.00 [M+H]+1 TG(18:0/22:4(7Z,10Z,13Z,16Z)/24:0) 573.9871 12.43 [M+H]+1 Lipoyl-AMP 574.0434 16.00 [M+H]+1 GDP-β-L-colitose 574.0933 16.45 [M+H]+1 UDP-L-arabinose 574.9855 12.44 [M+H]+1 I-Abopx 576.0726 17.59 [M+H]+1 ADGGA 16:0_22:0_22:0 576.4831 14.03 [M+2H]+2 SM 48:7;2O(FA 18:1) 576.9825 12.01 [M+2H]+2 Inosine triphosphate 576.9827 12.44 [M+H]+1 PE 65:0 578.0216 16.25 [M+2H]+2 NAGly 22:2/11:0 578.4778 13.78 [M+H]+1 HBMP 62:1 578.4779 13.77 [M+2H]+2 Perfluorododecanoic acid 578.9312 12.88 [M+H]+1 2_3-cis-proanthocyanidin 579.1480 14.14 [M+H]+1 Diadenosine heptaphosphate 580.0000 14.30 [M+H]+1 SM 25:0;2O 580.4572 12.00 [M+H]+1 Lintitript-CoA; (Acyl-CoA); [M+H]+; 581.0793 15.26 [M+2H]+2 FAHFA 38:7 581.4561 12.01 [M+H]+1 PC 64:11 581.4565 12.02 [M+2H]+2 ADP Ribose 582.0603 17.05 [2M+NH4]+1 (+)-Aspidospermidine 582.4546 12.01 [M+H]+1 HexCer-AP t65:2 583.0191 16.42 [M+2H]+2 Menaquinol-6 583.4533 12.00 [M+H]+1 DGCC 21:2_44:11 583.4656 13.80 [M+2H]+2 DG(10:0/PGF1alpha/0:0) 584.4516 12.36 [M+H]+1 PE 67:7 584.9825 14.82 [M+2H]+2 HexCer 20:3;2O/46:4;2O 584.9872 14.66 [M+2H]+2 Chlorophenol Red-beta-D-galactopyranoside 585.0401 16.39 [M+H]+1 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol 585.1000 16.35 [M+H]+1 DG 18:2_16:4 585.4505 12.39 [M+H]+1 SM 69:12;2O 586.9828 13.78 [M+2H]+2 Ipomoeaxanthin C 587.4477 12.02 [M+H]+1 Ganglioside GD2 (d18:0/24:0) 587.6655 12.27 [M+H]+1 DGCC 33:0_32:8 588.5049 14.32 [M+2H]+2 HexCer 37:3;2O/32:5 589.0069 14.16 [M+2H]+2 UDP-α-D-galactose 589.0434 17.72 [M+Na]+1 GDP-β-L-fucose 590.0886 17.93 [M+H]+1 ADP-glucose 590.0952 16.55 [M+H]+1 Indacaterol-8-O-glucuronide 591.2302 15.30 [M+Na]+1 PC 64:1 591.5323 15.20 [M+2H]+2 Ganglioside GT3 (d18:1/14:0) 591.9209 12.39 [M+H]+1 HexCer-NS d69:5 592.0341 15.36 [M+2H]+2 SM 47:7;2O(FA 22:3) 595.9889 13.78 [M+2H]+2 NCGC00385678-01_C27H33NO14_4,8-Dimethoxyfuro[2,3-b]quinolin-7-yl 2-O-acetyl-6-deoxy-3-O-beta-D-glucopyranosyl-alpha-L-mannopyranoside 596.1972 17.87 [M+H]+1 UDP-α-D-glucuronate 598.0674 18.68 [M+NH4]+1 PE 69:7 598.9986 16.26 [M+2H]+2 SM 70:7;2O 599.0324 16.13 [M+2H]+2 SHexCer d64:2 599.9930 13.00 [M+2H]+2 DG 40:10_40:11 600.4749 13.75 [M+2H]+2 DG 40:0_38:7 600.5685 15.25 [M+2H]+2 Nonadecane 600.6674 12.85 [M+H]+1 HexCer 26:3;3O/42:2;(2OH) 601.0216 16.26 [M+2H]+2 TG(20:3(5Z,8Z,11Z)/24:1(15Z)/24:1(15Z)) 601.0548 16.18 [M+H]+1 HexCer-NS d70:3 601.0549 16.16 [M+2H]+2 Cholylglutamic acid 601.3469 3.72 [M+H]+1 PMeOH 28:3 601.3874 12.02 [M+H]+1 CE(12:0) 601.5566 16.15 [M+2H]+2 SL 17:3;O/18:5 602.3854 12.33 [M+H]+1 UDP-D-galacturonic acid 603.0229 19.07 [M+H]+1 (2R,14R)-5,8,11-Trihydroxy-2-[(9Z,11Z)-9,11-octadecadienoyloxy]-14-[(octanoyloxy)methyl]-5,11-dioxido-16-oxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphapentacos-1-yl (9Z,11Z)-9,11-octadecadienoate 603.3840 12.08 [M+2H]+2 FAHFA 39:3 603.5338 10.75 [M+H]+1 PE 70:9 603.9923 13.79 [M+2H]+2 CDP-glucose 604.0420 16.94 [M+H]+1 (1S,3R,4R,5R)-1-[[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(Z)-3-imidazo[4,5-b]pyridin-1-yl-3-phenylprop-2-enoyl]oxycyclohexane-1-carboxylic acid 604.1862 17.81 [M+H]+1 HBMP 66:3 604.4939 13.82 [M+2H]+2 Heptadecanoic acid 604.5155 15.87 [M+2H]+2 Hex2Cer 59:3;2O 604.9969 14.92 [M+2H]+2 {2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid 605.0995 16.20 [2M+H]+1 Guanosine diphosphate mannose 605.1000 16.18 [M+H]+1 HexCer-NS d71:5 606.0458 15.22 [M+2H]+2 GDP-α-D-mannose 606.0837 18.53 [M+H]+1 PC 66:0 606.5604 11.32 [M+2H]+2 UDP-N-acetylglucosamine 608.0881 17.23 [M+H]+1 Malyngamide J 608.3768 12.32 [M+H]+1 Cer(d16:1/23:0) 608.5953 12.27 [M+H]+1 Hex2Cer 60:6;2O 608.9796 13.71 [M+2H]+2 quercetin-3-O-pentosyl(1-2)acetylpentoside 609.1445 16.24 [M+H]+1 PG 24:1 609.3750 12.08 [M+H]+1 CE(15:1) 609.5632 12.95 [M+H]+1 UDP-alpha-D-sulfoquinovopyranose 610.0095 13.96 [M+H]+1 N-Propionylprocainamide 610.4264 12.21 [M+H]+1 Uridine diphosphate glucose 611.0241 13.36 [M+H]+1 Cyanidin 3-glucogalactoside 611.1657 16.37 [M+2H]+2 DG(16:1n7/0:0/18:2n6) 611.5221 15.14 [M+2H]+2 HexCer 20:3;2O/50:5;2O 612.0139 13.09 [M+2H]+2 SM 47:7;2O(FA 24:1) 612.0199 15.83 [M+2H]+2 SM 28:5;2O 612.4239 12.14 [M+H]+1 DGCC 27:0_42:12 612.5035 16.35 [M+2H]+2 Endotoxin inhibitor 612.8494 12.30 [M+2H]+2 SM 73:14;2O 612.9974 13.92 [M+2H]+2 Sagecoumarin 613.0229 15.94 [M+H]+1 Glutathione disulfide 613.1572 19.87 [M+H]+1 Leuprorelin 613.8478 12.08 [M+H]+1 C16-Ceramide 614.4225 12.24 [M+H]+1 alpha-Neoendorphin 614.8460 12.07 [M+2H]+2 CMP-N-acetyl-β-neuraminate 615.1528 17.51 [M+H]+1 Quadranguloside 615.8449 12.23 [M+H]+1 SHexCer d66:0 616.0281 14.03 [M+2H]+2 GDP-mannuronate 616.0641 16.17 [M+H]+1 Deoxycholyltyrosine 616.4184 12.18 [M+H]+1 Sphingosine 616.5924 13.08 [M+H]+1 5-Iodo-2'-deoxyuridine triphosphate 616.8433 12.13 [M+H]+1 DGCC 12:0_12:0 617.4838 14.05 [M+H]+1 LDGCC 25:0 617.5234 12.49 [M+H]+1 Heptacarboxyporphyrin 619.0591 12.25 [M+H]+1 CL(i-13:0/i-13:0/i-13:0/14:0) 620.9486 13.74 [M+H]+1 DG(18:1n7/0:0/18:4n3) 621.0008 13.68 [M+2H]+2 DGCC 35:0_34:3 621.5783 15.30 [M+2H]+2 SM 47:7;2O(FA 26:5) 622.0016 14.04 [M+2H]+2 Hex2Cer 62:6;2O 622.9949 16.13 [M+2H]+2 Suffruticoside E 623.2193 11.48 [M+H]+1 Tetrandrine 623.3141 12.29 [M+H]+1 Ganglioside GT3 (d18:1/24:0) 624.0199 16.35 [M+H]+1 Cer(d17:1/PGJ2) 624.4660 13.77 [M+2H]+2 SL 23:3;O/13:1 624.4665 13.76 [M+H]+1 Cer(d18:0/22:0) 624.6309 12.25 [M+H]+1 SM 47:7;2O(FA 26:1) 626.0360 15.48 [M+2H]+2 dTDP-alpha-D-glucose 626.0787 13.44 [M+H]+1 PS 25:6 626.3097 12.17 [M+H]+1 LeukotrieneC4 626.3099 12.35 [M+H]+1 DG 42:11_42:12 626.4898 13.13 [M+2H]+2 PC 70:8 626.5279 15.76 [M+2H]+2 AHexCer (O-26:6)17:1;2O/30:6;O 626.9869 14.41 [M+2H]+2 Pipethiadene 627.1992 22.23 [2M+H]+1 FAHFA 41:5 627.5324 3.28 [M+H]+1 FT-PFCA; C13H3F23O2 628.9861 12.43 [M+H]+1 PC 71:12 629.5053 14.27 [M+2H]+2 Ganglioside GT3 (d18:0/22:0) 629.9844 12.01 [M+H]+1 PE 74:11 630.0074 14.03 [M+2H]+2 DG 42:0_40:5 630.6143 15.29 [M+2H]+2 CDP-DG(i-24:0/i-24:0) 630.9231 13.08 [M+H]+1 CMP-N-glycoloyl-β-neuraminate 631.1479 17.92 [M+H]+1 DG 42:8_42:9 632.5329 15.83 [M+2H]+2 HexCer 20:3;2O/53:5;2O 633.0347 15.40 [M+2H]+2 Actinorhodine 635.1397 20.35 [M+H]+1 Dihydrohesperetin-7-O-neohesperidoside 635.1934 15.30 [M+Na]+1 1-Palmitoyl-2-linoleoyl-3-acetyl-rac-glycerol 635.5232 11.06 [M+H]+1 HexCer 38:3;2O/37:0 636.0918 15.28 [M+2H]+2 DGCC 10:0_16:4 637.4540 12.04 [M+H]+1 HexCer 37:3;2O/40:10 640.0332 16.12 [M+2H]+2 ADPribose2'-phosphate 640.0437 18.82 [M+H]+1 Hex2Cer 65:9;2O 640.9934 13.24 [M+2H]+2 TAG 37:6 641.4755 13.74 [M+H]+1 DGCC 38:8_36:10 641.4951 13.16 [M+2H]+2 SM 48:7;2O(FA 28:6) 642.0203 16.26 [M+2H]+2 PE 75:6 642.0558 16.15 [M+2H]+2 DGCC 37:0_36:9 643.5576 16.08 [M+2H]+2 3,4-Dimethyl-5-pentyl-2-furannonanoic acid 645.5162 15.85 [M+2H]+2 CE 18:4 645.5604 12.30 [M+H]+1 Cefoperazone 646.1480 15.29 [M+H]+1 ZORUBICIN 646.2405 12.23 [M+H]+1 PE 76:8 647.0464 15.38 [M+2H]+2 6,6',11,11'-Tetrahydroxy-3,3,3',3',12,12'-hexamethyl-1,2,3,3',12,12'-hexahydro-7H,7'H-1,5'-bipyrano[2,3-c]acridine-7,7'-dione 647.2392 12.24 [M+H]+1 Irgafos 168 647.4571 2.49 [M+H]+1 HexCer 20:3;2O/55:4;2O 648.0609 13.49 [M+2H]+2 6-O-[(11E)-3-Hydroxy-2-tetradecyl-11-octadecenoyl]-alpha-L-glucopyranosyl 6-O-[(11E)-3-hydroxy-2-tetradecyl-11-octadecenoyl]-alpha-D-glucopyranoside 648.5250 13.99 [M+2H]+2 ST 24:1;O4/18:4 651.4994 13.76 [M+H]+1 DGCC 37:0_36:1 651.6255 15.29 [M+2H]+2 L-alpha-Phosphatidyl-L-glycerol 652.5236 15.84 [M+2H]+2 Cer(d18:0/24:0) 652.6595 12.87 [M+H]+1 Ganglioside GD1a (d18:1/25:0 653.0158 13.49 [M+2H]+2 S-Formylglutathione 653.1432 17.72 [M+H]+1 DGCC 38:10_38:10 653.4979 13.89 [M+2H]+2 SM(d18:1/15:0) 653.5383 16.33 [M+2H]+2 ADP-ribose 1,2 cyclic phosphate 654.0419 15.31 [M+H]+1 Cholesteryl oleyl ether 654.6566 12.89 [M+H]+1 PC 76:21 655.4695 13.03 [M+2H]+2 PE 78:12 657.0301 14.04 [M+2H]+2 ADP ribose 1'',2''-cyclic phosphate 660.0293 16.44 [M+Na]+1 Ganglioside GM3 (d18:1/25:0) 660.9338 12.89 [M+H]+1 D-Ribulose 1,5-bisphosphate 662.0027 13.63 [M+H]+1 N-Myristoyl Alanine 662.5043 14.02 [M+2H]+2 DG 44:7_44:8 662.5802 15.29 [M+2H]+2 D-Fructose 2,6-bisphosphate 663.0063 14.11 [M+2H]+2 PE-Cer 19:3;2O/16:4 663.4520 2.46 [M+H]+1 NAD 664.1147 16.68 [M+H]+1 Nicotinamide adenine dinucleotide (NAD+) 664.1149 17.36 [M+H]+1 NADH 666.1304 16.63 [M+H]+1 Gallagic acid 668.0575 15.79 [M+H]+1 PI-Cer 25:2;3O 668.3772 3.57 [M+H]+1 Hex3Cer 57:6;2O 668.9853 13.78 [M+2H]+2 MMV688955 669.0773 20.24 [2M+H]+1 DHBOA hexose 669.1678 12.29 [M+H]+1 Adenosine tetraphosphate 669.9732 13.04 [M+H]+1 SL 26:3;O/12:0;O 670.5076 14.57 [M+H]+1 2'-Deoxy-5'-O-thiophosphonouridine 671.0096 14.21 [M+H]+1 Hex2Cer 70:13;2O 672.0047 13.15 [M+2H]+2 4-Hydroxyestrone-2-S-glutathione 674.2838 2.43 [M+H]+1 Phosphatidylinositol-3,4,5-trisphosphate 676.9954 16.00 [M+H]+1 PE 80:6 677.0922 15.28 [M+2H]+2 CL(i-13:0/i-21:0/i-17:0/a-13:0) 677.4966 15.62 [M+2H]+2 Ceragenin CSA-13 677.6335 12.25 [M+H]+1 DGCC 40:11_40:11 679.5129 13.51 [M+2H]+2 PE 82:16 681.0337 16.13 [M+2H]+2 DG(15:0/0:0/20:3n6) 681.4167 2.45 [M+H]+1 Hex3Cer 59:7;2O 681.9939 13.30 [M+2H]+2 Amiodarone HCl 682.0103 16.43 [M+H]+1 1-Hydroxy-1-phenyl-3-hexadecanone 682.5699 15.26 [M+2H]+2 thymidine 3'-monophosphate 683.0561 16.17 [M+H]+1 Inosine 2',3'-cyclic phosphate 683.0563 16.17 [M+2H]+2 Ganglioside GT2 (d18:1/24:0) 684.0603 16.09 [M+2H]+2 1_3-alpha-D-Mannosyl-1_2-alpha-D-mannosyl-1_2-alpha-D-mannosyl-D-mannose 684.2528 18.97 [M+NH4]+1 Tetraglucoside 684.2534 19.30 [M+NH4]+1 Adenosine 5'-pentaphosphate 684.9771 13.00 [M+H]+1 LysoPC(28:0/0:0) 686.5168 15.86 [M+2H]+2 dIMP 687.1012 16.17 [M+H]+1 Ganglioside GT2 (d18:0/20:0) 688.0175 16.39 [M+H]+1 Flavone base + 3O, 2MeO, O-guaiacylglyceryl-Hex 689.2087 19.22 [M+H]+1 O-Galactosyl-5-hydroxylysine 690.3510 12.24 [M+H]+1 PE 84:19 692.0238 13.54 [M+2H]+2 PE(18:0/14:0) 692.5170 16.31 [M+2H]+2 Hex2Cer 73:13;2O 693.0264 15.59 [M+2H]+2 (7Z,19R,31R,42Z)-31-[(9Z)-9-Hexadecenoyloxy]-22,25,28-trihydroxy-22,28-dioxido-16,34-dioxo-17,21,23,27,29,33-hexaoxa-22lambda~5~,28lambda~5~-diphosphanonatetraconta-7,42-dien-19-yl (9Z,12Z)-9,12-nonadecadienoate 693.4779 13.78 [M+2H]+2 TG(14:0/8:0/i-13:0) 693.5246 15.51 [M+2H]+2 TG(15:0/10:0/10:0) 693.5247 15.13 [M+2H]+2 Niclosamide 694.0165 14.49 [M+2H]+2 Hex3Cer 61:8;2O 694.9994 13.81 [M+2H]+2 KO2750000 695.0253 15.92 [2M+K]+1 Cer-EOS d93:4 695.1909 16.40 [M+2H]+2 PC 30:4 699.4860 14.05 [M+H]+1 DGCC 15:0_15:1 699.5619 12.25 [M+H]+1 ADP-ribose 2'-phosphat 700.0999 16.57 [M+Na]+1 GDP-guluronate 700.1001 16.50 [M+H]+1 Guanosine 3'-diphosphate 5'-triphosphate 700.9830 13.04 [M+2H]+2 PI 25:6 701.3322 43.55 [M+H]+1 PE-Cer 25:2;2O/12:0 701.5586 12.30 [M+H]+1 D-Mannose 1,6-bisphosphate 703.0034 13.96 [M+2H]+2 CL(i-13:0/a-21:0/18:2(9Z,11Z)/i-16:0)[rac] 703.5111 14.99 [M+2H]+2 MGDG O-28:0_3:0 703.5723 3.29 [M+H]+1 CL(i-14:0/15:0/15:0/15:0) 704.0046 13.97 [M+2H]+2 PS 30:1 706.4685 13.83 [M+H]+1 PE 84:4 707.1399 15.29 [M+2H]+2 Minodronic acid 708.0383 15.17 [M+H]+1 ADP-ribose 2'-phosphate 708.0384 15.16 [M+2H]+2 5-Deoxymyricanone 708.3484 12.24 [M+H]+1 S-sulfanylglutathione 709.0218 13.39 [M+H]+1 Hex2Cer 75:11;2O 709.0582 15.31 [M+2H]+2 DGCC 42:10_42:10 709.5594 15.28 [M+2H]+2 6-Acetylcodeine 710.3458 12.23 [M+H]+1 CL(14:0/14:0/18:0/14:0) 710.9736 12.97 [M+2H]+2 Hex3Cer 64:13;2O 710.9861 13.78 [M+2H]+2 PE-Cer 21:3;2O/16:2;O 711.5081 14.61 [M+H]+1 SM(d16:2(4E,8Z)/18:3(9,11,15)-OH(13)) 711.5082 14.05 [M+2H]+2 CL(14:0/18:0/18:0/16:0) 712.0102 14.05 [M+2H]+2 Cer 16:3;2O/32:9 712.5642 11.77 [M+H]+1 1,3,6-Tri-O-galloyl-beta-D-glucose 713.0054 13.16 [M+2H]+2 PC(14:0/P-18:1(11Z)) 716.5595 11.68 [M+H]+1 5-Phosphoribosyl-4-carboxy-5-aminoimidazole 717.0579 3.83 [M+H]+1 CL(i-15:0/i-15:0/i-15:0/16:0) 717.9976 15.62 [M+2H]+2 CL(14:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/14:0) 719.9606 14.04 [M+H]+1 Hex3Cer 65:10;2O 721.0157 13.51 [M+2H]+2 MGDG 32:5 721.4891 12.27 [M+H]+1 PC O-28:7_5:0 721.5043 2.42 [M+H]+1 Fructose 1,6-bisphosphate 722.0358 16.11 [M+2H]+2 PS O-22:0_10:0 722.5308 12.48 [M+H]+1 Ganglioside GD3 (d18:1/16:0) 722.9550 13.03 [M+H]+1 CL 72:10 723.4778 13.72 [M+2H]+2 DGCC 44:8_42:12 723.5719 15.25 [M+2H]+2 PG O-24:6_10:0 725.4735 13.78 [M+H]+1 PE-Cer 22:3;2O/16:2;O 725.5261 12.52 [M+H]+1 CL(8:0/a-13:0/a-21:0/23:0) 725.5268 12.49 [M+2H]+2 Ganglioside GM2 (d18:0/20:0) 727.9998 14.86 [M+2H]+2 Hex3Cer 66:10;2O 728.0207 15.87 [M+2H]+2 DG(i-12:0/LTE4/0:0) 728.4757 13.16 [M+H]+1 Hex3Cer 13:1;2O 730.3503 43.98 [M+H]+1 MGDG O-28:0_5:0 731.6031 3.32 [M+H]+1 Ganglioside GA1 (d18:1/24:0) 731.9832 13.99 [M+2H]+2 Dipalmitoylphosphatidylcholine(DPPC) 734.5676 9.09 [M+H]+1 5'-Iododeoxyuridine 736.0020 13.97 [M+2H]+2 Ganglioside GT1c (d18:1/22:0) 736.0445 15.29 [M+H]+1 Cer 33:3;2O/16:4 736.6593 12.96 [M+H]+1 SM d37:5 738.5674 11.68 [M+H]+1 Hex2Cer 79:9;2O 739.1054 15.28 [M+2H]+2 DGCC 44:9_44:9 739.6072 15.32 [M+2H]+2 MLCL 24:6_26:4_26:4 740.4879 14.07 [M+2H]+2 PS O-24:5_10:0 740.4884 14.03 [M+H]+1 PS 33:4 742.4617 12.05 [M+H]+1 PG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/i-13:0) 742.4623 12.00 [M+2H]+2 Ganglioside GM2 (d18:1/22:0) 742.9368 12.93 [M+H]+1 PG(PGD1/i-13:0) 743.4608 12.40 [M+2H]+2 Hex3Cer 69:15;2O 744.0054 13.97 [M+2H]+2 NADP 744.0811 18.91 [M+H]+1 PE(18:3(6Z,9Z,12Z)/15:0) 744.4591 12.43 [M+2H]+2 Ganglioside GA1 (d18:1/26:1(17Z)) 745.0090 14.08 [M+2H]+2 Dimyristoyl phosphatidylglycerol 745.4572 12.20 [M+H]+1 Cer(d17:1/LTE4) 745.4580 12.41 [M+2H]+2 Histidinyl-Tryptophan 746.3139 12.23 [M+H]+1 PE 38:7e 748.5280 15.24 [M+H]+1 CL 76:12 749.4934 13.19 [M+2H]+2 Adenosine thiamine diphosphate 750.0585 15.29 [M+H]+1 Perfluorotridecanesulfonic acid 750.9284 12.41 [M+H]+1 CL(i-16:0/i-16:0/18:2(9Z,11Z)/i-22:0) 752.0635 15.20 [2M+ACN+H]+1 PE(P-16:0/5-iso PGF2VI) 752.5088 14.05 [M+2H]+2 Ganglioside GM1 (d18:0/12:0) 752.9246 12.78 [M+H]+1 Diadenosine diphosphate 753.0103 14.07 [M+2H]+2 NCGC00386080-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000848597] 753.4253 2.53 [M+H]+1 Tetracosapentenoic acid 755.5360 15.28 [M+2H]+2 Ganglioside GT1b (d18:0/23:0) 756.0377 15.42 [M+2H]+2 Ganglioside GM2 (d18:0/26:1(17Z)) 756.9826 15.62 [M+H]+1 PC(14:0/20:2(11Z,14Z)) 758.5661 3.28 [M+H]+1 CL(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/18:1(9Z)) 758.9984 15.62 [M+2H]+2 Pyroglutamyl-phenylalanyl-prolinamide 762.3921 12.39 [M+H]+1 CL(14:0/18:0/16:0/20:4(5Z,8Z,11Z,14Z)) 763.0362 16.11 [M+2H]+2 PGP(18:3(9,11,15)-OH(13)/i-13:0) 763.3904 12.05 [M+2H]+2 OxPG 34:2+1O 763.5101 12.98 [M+H]+1 N-Succinyl-Leu-Leu-Val-Tyr-7-Amido-4-Methylcoumarin, >=90% (HPLC) 764.3884 12.05 [M+H]+1 14-hydroxyclarithromycin 764.4789 14.01 [M+H]+1 CL(14:0/18:0/18:2(9Z,12Z)/18:0) 765.0586 16.19 [M+H]+1 PG O-26:7_11:0 765.5069 13.03 [M+H]+1 CL(16:0/i-18:0/18:2(9Z,11Z)/19:0) 765.5602 16.17 [M+2H]+2 Ganglioside GM1 (18:1/18:0) 767.9435 13.81 [M+H]+1 28-Glucosyloleanolic acid 3-arabinoside 768.4970 13.85 [M+2H]+2 MLCL 26:5_26:5_28:4 768.5196 15.86 [M+2H]+2 PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 769.5017 13.03 [M+H]+1 NAGly 26:7/22:4 770.5725 12.82 [M+H]+1 PA(14:1(9Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 773.8549 12.26 [M+H]+1 Prostaglandin E2 methyl ester 774.5192 16.31 [M+2H]+2 PE(15:0/PGE1) 775.5273 15.12 [M+2H]+2 5',5'''-diadenosine triphosphate 776.0188 13.50 [M+2H]+2 CL 80:13 776.5207 13.39 [M+2H]+2 GM3 d63:3 778.5745 15.37 [M+2H]+2 Ganglioside GD3 (d18:0/24:0) 779.9859 16.48 [M+Na]+1 PC(14:0/22:4(7Z,10Z,13Z,16Z)) 782.5667 8.85 [M+H]+1 SQDG 32:6 783.4381 13.01 [M+H]+1 PMeOH 41:3 783.5900 8.11 [M+H]+1 SL 26:3;O/22:5 784.5883 4.94 [M+H]+1 N-Acetylgalactosamine 4,6-disulfate 785.0058 13.98 [M+2H]+2 GM3 d64:3 785.5834 15.29 [M+2H]+2 FAD 786.1612 16.54 [M+H]+1 CL 82:17 786.5038 13.95 [M+2H]+2 5-phospho-alpha-D-ribose 1-diphosphate 787.8144 12.25 [M+2H]+2 Antibiotic 205t3 788.3143 12.06 [M+H]+1 PG(20:3(6,8,11)-OH(5)/i-16:0) 789.5310 15.32 [M+2H]+2 Lacto-N-tetraose 790.3111 12.25 [M+H]+1 Ganglioside GD3 (d18:1/20:0) 791.9885 13.77 [M+2H]+2 PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 792.5510 3.33 [M+H]+1 Perfluorotetradecanoic acid 792.9761 13.10 [M+2H]+2 N-Eicosapentaenoyl Cysteine 793.4638 13.26 [M+H]+1 DG(22:4n6/0:0/22:6n3) 793.4639 13.06 [M+H]+1 SM(d16:1/PGE2) 793.5108 14.06 [M+2H]+2 onnamide A 794.4520 44.13 [M+H]+1 Ganglioside GM1 (d18:0/18:0) 794.9282 13.01 [M+H]+1 N-(5-(2,3-Dihydrobenzofuryl)sulfonyl)-N'-(3,4-dichlorophenyl)urea 800.0002 15.62 [M+2H]+2 N-Glycoloylganglioside GM1 804.9986 13.09 [M+2H]+2 PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 806.5666 3.27 [M+H]+1 L-Pyroglutamyl-L-histidyl-3,3-dimethylprolinamide 808.4235 13.06 [M+H]+1 PG(i-12:0/PGE1) 809.4220 13.04 [M+H]+1 Ganglioside GD3 (d18:1/26:0) 811.9924 14.06 [M+H]+1 PGP(i-12:0/20:4(6E,8Z,11Z,14Z)+=O(5)) 815.4129 12.96 [M+H]+1 GM3 d68:1 815.6306 15.30 [M+2H]+2 TG 16:1_16:2_17:0 815.7143 12.22 [M+H]+1 SL 26:0;O/22:0;O 816.7124 12.25 [M+H]+1 dUDP 818.0466 15.28 [M+H]+1 7-Ketocholesterol 818.7097 12.24 [M+H]+1 Ganglioside GD3 (d18:1/24:1(15Z)) 818.9729 12.97 [M+2H]+2 Flavonol base + 4O, 1MeO, O-Hex-Hex, O-Hex 819.2198 7.28 [M+H]+1 PC 39:0e 819.7085 12.31 [M+H]+1 SM 41:0;3O 820.7066 12.19 [M+H]+1 DG 25:0_26:7 821.7059 12.23 [M+H]+1 Tapentadol-beta-D-glucuronide 822.4433 13.14 [M+H]+1 SL 26:3;O/23:1;O 822.6665 12.20 [M+H]+1 SL 26:3;O/24:0 822.7034 12.23 [M+H]+1 PI 34:8 823.4412 12.97 [M+H]+1 Ganglioside GD2 (d18:0/16:0) 824.9391 12.94 [M+H]+1 Hex2Cer 16:3;2O/16:2 826.5344 12.84 [M+H]+1 Diadenosine triphosphate 832.9905 13.78 [M+2H]+2 Ganglioside GM1 (d18:1/25:0) 833.9786 13.18 [M+H]+1 PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 834.5986 3.27 [M+H]+1 HexCer 21:3;2O/22:2;O 834.6468 12.23 [M+H]+1 PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 836.5395 11.06 [M+H]+1 ST 24:1;O4;T/23:0 836.6424 12.24 [M+H]+1 HexCer-AP t42:4 838.6397 12.23 [M+H]+1 HexCer 27:3;2O/18:5 840.6366 12.30 [M+H]+1 Inositol 1,3,4-trisphosphate 840.9721 13.81 [M+2H]+2 oxalyl-CoA 841.0978 15.29 [M+2H]+2 TG 14:1_18:5_20:5 841.6347 12.19 [M+H]+1 dADP 845.0220 15.68 [M+2H]+2 Amylopectin 846.3052 20.17 [M+NH4]+1 PC(20:3(6,8,11)-OH(5)/14:1(9Z)) 846.4389 3.06 [M+H]+1 ST 24:1;O4;T/24:2 846.6283 12.28 [M+H]+1 Ganglioside GQ1c (d18:1/22:1(13Z)) 847.0602 16.11 [M+H]+1 Ganglioside GD2 (d18:0/18:1(9Z)) 848.9821 13.02 [M+H]+1 gamma-L-Glutamyl-gamma-L-glutamyl-L-methionine 853.2198 17.73 [M+H]+1 PC 42:10 855.5749 12.25 [M+H]+1 CID5241369; (Acyl-CoA); [M+H]+; 856.2120 12.23 [M+H]+1 Lipoteichoic acid 857.5300 15.12 [M+2H]+2 TAG 54:17 857.5721 12.25 [M+H]+1 3-Chloropropionyl-CoA; (Acyl-CoA); [M+H]+; 858.1101 4.78 [M+H]+1 PC(18:4(6Z,9Z,12Z,15Z)/20:3(6,8,11)-OH(5)) 858.5035 13.96 [M+2H]+2 Undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine 858.9904 14.82 [M+2H]+2 PI O-26:4_11:0 859.5692 12.24 [M+H]+1 GlcADG 42:11 863.5344 44.93 [M+H]+1 PI(16:0/20:2(11Z,14Z)) 863.5637 12.25 [M+H]+1 (2S,3R)-2-(Docosanoylamino)-3-hydroxyoctadecyl 5-acetamido-6-[(1S,2R)-2-({5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[2-deoxy-2-(2-oxopropyl)-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside 867.0083 13.64 [M+2H]+2 GlcADG 42:9 867.5580 12.28 [M+H]+1 IVERMECTIN 868.5056 14.13 [M+2H]+2 SM d46:2 870.7517 2.59 [M+H]+1 Pheophytin A 871.5742 11.68 [M+H]+1 SM d46:1 872.7670 2.64 [M+H]+1 P1,P4-Bis(5'-uridyl) tetraphosphate 873.0712 11.51 [M+H]+1 OxPC 38:5+4O(2Cyc) 873.5720 10.82 [M+H]+1 PG(a-15:0/LTE4 874.4932 13.82 [M+2H]+2 Diadenosine tetraphosphate 874.9933 13.80 [M+2H]+2 Prostaglandin H2 2-glyceryl Ester 875.5134 14.07 [M+2H]+2 Malonyl-CoA 876.1068 13.44 [M+H]+1 Ganglioside GD1b (d18:1/12:0) 876.9311 13.07 [2M+H]+1 ADP 877.0106 13.27 [M+2H]+2 (2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate 880.5883 10.72 [M+H]+1 myo-Inositol 1,4,5-trisphosphate 882.0031 15.61 [M+2H]+2 PA(20:3(5Z,8Z,11Z)/LTE4) 882.4960 13.85 [M+2H]+2 PGP(16:1(9Z)/16:1(9Z)) 882.4961 13.75 [M+2H]+2 PI 38:6 883.5371 12.50 [M+H]+1 Ganglioside GD2 (d18:0/23:0) 885.0212 15.89 [M+2H]+2 N-Eicosapentaenoyl Glutamic acid 885.5229 14.49 [M+2H]+2 OxPG 40:6+4O 887.5312 11.88 [M+H]+1 PI(16:0/22:4(10Z,13Z,16Z,19Z)) 887.5619 10.61 [M+H]+1 Diguanosine tetraphosphate 891.0011 13.65 [M+2H]+2 IDP 895.0006 11.98 [M+H]+1 SM d48:3 896.7676 2.57 [M+H]+1 METABOLITES_END #END