#METABOLOMICS WORKBENCH nsouthwell_20240303_153815 DATATRACK_ID:4685 STUDY_ID:ST003126 ANALYSIS_ID:AN005125 PROJECT_ID:PR001944
VERSION 1
CREATED_ON March 19, 2024, 2:51 pm
#PROJECT
PR:PROJECT_TITLE High fat diet ameliorates mitochondrial cardiomyopathy in CHCHD10 mutant mice
PR:PROJECT_SUMMARY Mutations in CHCHD10, a mitochondrial protein with undefined functions, are
PR:PROJECT_SUMMARY associated with autosomal dominant mitochondrial diseases. Chchd10 knock-in mice
PR:PROJECT_SUMMARY harboring a heterozygous S55L mutation (equivalent to human pathogenic S59L)
PR:PROJECT_SUMMARY develop a fatal mitochondrial cardiomyopathy caused by CHCHD10 aggregation and
PR:PROJECT_SUMMARY proteotoxic mitochondrial integrated stress response (mtISR). In mutant hearts,
PR:PROJECT_SUMMARY mtISR is accompanied by a metabolic rewiring characterized by increased reliance
PR:PROJECT_SUMMARY on glycolysis rather than fatty acid oxidation. To counteract this metabolic
PR:PROJECT_SUMMARY rewiring, heterozygous S55L mice were subjected to chronic high fat diet (HFD)
PR:PROJECT_SUMMARY to decrease insulin sensitivity and glucose uptake and enhance fatty acid
PR:PROJECT_SUMMARY utilization in the heart. HFD ameliorated the ventricular dysfunction of mutant
PR:PROJECT_SUMMARY hearts and significantly extended the survival of mutant female mice affected by
PR:PROJECT_SUMMARY severe pregnancy-induced cardiomyopathy. Gene expression profiles confirmed that
PR:PROJECT_SUMMARY HFD increased fatty acid utilization and ameliorated cardiomyopathy markers.
PR:PROJECT_SUMMARY Importantly, HFD also decreased accumulation of aggregated CHCHD10 in the S55L
PR:PROJECT_SUMMARY heart, suggesting activation of quality control mechanisms. Overall, our
PR:PROJECT_SUMMARY findings indicate that metabolic therapy can be effective in mitochondrial
PR:PROJECT_SUMMARY cardiomyopathies associated with proteotoxic stress.
PR:INSTITUTE Weill Cornell Medicine
PR:LAST_NAME Southwell
PR:FIRST_NAME Nneka
PR:ADDRESS 407 E 61st St
PR:EMAIL nns4001@med.cornell.edu
PR:PHONE 646-962-8172
#STUDY
ST:STUDY_TITLE Effect of high fat diet on heart metabolome of CHCHD10 mutant mice
ST:STUDY_SUMMARY Mutations in CHCHD10, a mitochondrial protein with undefined functions, are
ST:STUDY_SUMMARY associated with autosomal dominant mitochondrial diseases. Chchd10 knock-in mice
ST:STUDY_SUMMARY harboring a heterozygous S55L mutation (equivalent to human pathogenic S59L)
ST:STUDY_SUMMARY develop a fatal mitochondrial cardiomyopathy caused by CHCHD10 aggregation and
ST:STUDY_SUMMARY proteotoxic mitochondrial integrated stress response (mtISR). In mutant hearts,
ST:STUDY_SUMMARY mtISR is accompanied by a metabolic rewiring characterized by increased reliance
ST:STUDY_SUMMARY on glycolysis rather than fatty acid oxidation. To counteract this metabolic
ST:STUDY_SUMMARY rewiring, heterozygous S55L mice were subjected to chronic high fat diet (HFD)
ST:STUDY_SUMMARY to decrease insulin sensitivity and glucose uptake and enhance fatty acid
ST:STUDY_SUMMARY utilization in the heart. HFD ameliorated the ventricular dysfunction of mutant
ST:STUDY_SUMMARY hearts and significantly extended the survival of mutant female mice affected by
ST:STUDY_SUMMARY severe pregnancy-induced cardiomyopathy. Gene expression profiles confirmed that
ST:STUDY_SUMMARY HFD increased fatty acid utilization and ameliorated cardiomyopathy markers.
ST:STUDY_SUMMARY Importantly, HFD also decreased accumulation of aggregated CHCHD10 in the S55L
ST:STUDY_SUMMARY heart, suggesting activation of quality control mechanisms. Overall, our
ST:STUDY_SUMMARY findings indicate that metabolic therapy can be effective in mitochondrial
ST:STUDY_SUMMARY cardiomyopathies associated with proteotoxic stress.
ST:INSTITUTE Weill Cornell Medicine
ST:LAST_NAME Southwell
ST:FIRST_NAME Nneka
ST:ADDRESS 407 E 61st St
ST:EMAIL nns4001@med.cornell.edu
ST:PHONE 646-962-8172
#SUBJECT
SU:SUBJECT_TYPE Mammal
SU:SUBJECT_SPECIES Mus musculus
SU:TAXONOMY_ID 10090
#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 - H_HetCD_1 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetCD_1.raw
SUBJECT_SAMPLE_FACTORS - H_HetCD_2 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetCD_2.raw
SUBJECT_SAMPLE_FACTORS - H_HetCD_3 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetCD_3.raw
SUBJECT_SAMPLE_FACTORS - H_HetCD_4 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetCD_4.raw
SUBJECT_SAMPLE_FACTORS - H_HetCD_5 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetCD_5.raw
SUBJECT_SAMPLE_FACTORS - H_HetCD_6 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetCD_6.raw
SUBJECT_SAMPLE_FACTORS - H_HetCD_7 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetCD_7.raw
SUBJECT_SAMPLE_FACTORS - H_HetCD_8 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetCD_8.raw
SUBJECT_SAMPLE_FACTORS - H_HetCD_9 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetCD_9.raw
SUBJECT_SAMPLE_FACTORS - H_HetCD_10 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetCD_10.raw
SUBJECT_SAMPLE_FACTORS - H_WTCD_1 Sample source:Heart | Genotype:WT | Sex:F | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTCD_1.raw
SUBJECT_SAMPLE_FACTORS - H_WTCD_2 Sample source:Heart | Genotype:WT | Sex:F | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTCD_2.raw
SUBJECT_SAMPLE_FACTORS - H_WTCD_3 Sample source:Heart | Genotype:WT | Sex:F | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTCD_3.raw
SUBJECT_SAMPLE_FACTORS - H_WTCD_4 Sample source:Heart | Genotype:WT | Sex:F | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTCD_4.raw
SUBJECT_SAMPLE_FACTORS - H_WTCD_5 Sample source:Heart | Genotype:WT | Sex:F | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTCD_5.raw
SUBJECT_SAMPLE_FACTORS - H_WTCD_6 Sample source:Heart | Genotype:WT | Sex:M | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTCD_6.raw
SUBJECT_SAMPLE_FACTORS - H_WTCD_7 Sample source:Heart | Genotype:WT | Sex:M | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTCD_7.raw
SUBJECT_SAMPLE_FACTORS - H_WTCD_8 Sample source:Heart | Genotype:WT | Sex:M | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTCD_8.raw
SUBJECT_SAMPLE_FACTORS - H_WTCD_9 Sample source:Heart | Genotype:WT | Sex:M | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTCD_9.raw
SUBJECT_SAMPLE_FACTORS - H_WTCD_10 Sample source:Heart | Genotype:WT | Sex:M | Diet:Control Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTCD_10.raw
SUBJECT_SAMPLE_FACTORS - H_HetHFD_1 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetHFD_1.raw
SUBJECT_SAMPLE_FACTORS - H_HetHFD_2 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetHFD_2.raw
SUBJECT_SAMPLE_FACTORS - H_HetHFD_3 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetHFD_3.raw
SUBJECT_SAMPLE_FACTORS - H_HetHFD_4 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetHFD_4.raw
SUBJECT_SAMPLE_FACTORS - H_HetHFD_5 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetHFD_5.raw
SUBJECT_SAMPLE_FACTORS - H_HetHFD_6 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetHFD_6.raw
SUBJECT_SAMPLE_FACTORS - H_HetHFD_7 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetHFD_7.raw
SUBJECT_SAMPLE_FACTORS - H_HetHFD_8 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetHFD_8.raw
SUBJECT_SAMPLE_FACTORS - H_HetHFD_9 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetHFD_9.raw
SUBJECT_SAMPLE_FACTORS - H_HetHFD_10 Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_HetHFD_10.raw
SUBJECT_SAMPLE_FACTORS - H_WTHFD_1 Sample source:Heart | Genotype:WT | Sex:F | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTHFD_1.raw
SUBJECT_SAMPLE_FACTORS - H_WTHFD_2 Sample source:Heart | Genotype:WT | Sex:F | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTHFD_2.raw
SUBJECT_SAMPLE_FACTORS - H_WTHFD_3 Sample source:Heart | Genotype:WT | Sex:F | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTHFD_3.raw
SUBJECT_SAMPLE_FACTORS - H_WTHFD_4 Sample source:Heart | Genotype:WT | Sex:F | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTHFD_4.raw
SUBJECT_SAMPLE_FACTORS - H_WTHFD_5 Sample source:Heart | Genotype:WT | Sex:F | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTHFD_5.raw
SUBJECT_SAMPLE_FACTORS - H_WTHFD_6 Sample source:Heart | Genotype:WT | Sex:M | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTHFD_6.raw
SUBJECT_SAMPLE_FACTORS - H_WTHFD_7 Sample source:Heart | Genotype:WT | Sex:M | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTHFD_7.raw
SUBJECT_SAMPLE_FACTORS - H_WTHFD_8 Sample source:Heart | Genotype:WT | Sex:M | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTHFD_8.raw
SUBJECT_SAMPLE_FACTORS - H_WTHFD_9 Sample source:Heart | Genotype:WT | Sex:M | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTHFD_9.raw
SUBJECT_SAMPLE_FACTORS - H_WTHFD_10 Sample source:Heart | Genotype:WT | Sex:M | Diet:High Fat Diet Age=75; RAW_FILE_NAME(Named Raw File)=H_WTHFD_10.raw
#COLLECTION
CO:COLLECTION_SUMMARY Murine cardiac tissue was excised, then snap frozen in liquid nitrogen.
CO:SAMPLE_TYPE Cardiac tissue
#TREATMENT
TR:TREATMENT_SUMMARY CHCHD10 WT and CHCHD10 S55L heterozygous mice were treated with either a control
TR:TREATMENT_SUMMARY diet (70% Carbohydrate, 20% Protein, 10% Fat) or High Fat Diet (60% Fat, 20%
TR:TREATMENT_SUMMARY Protein, 20% Carbohydrate) in utero until 75 days of age.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY 15 mg of cardiac tissue was homogenized in 80% methanol (Sigma) using Tissue
SP:SAMPLEPREP_SUMMARY Tearer (BioSpec) on dry ice. Samples were incubated at -80ºC for 4 hours.
SP:SAMPLEPREP_SUMMARY Homogenates were then centrifuged at 14,000 rfc for 20 min at 4ºC. The
SP:SAMPLEPREP_SUMMARY supernatant was extracted and stored at -80ºC for mass spectroscopy with the
SP:SAMPLEPREP_SUMMARY Weill Cornell Medicine Meyer Cancer Center Proteomics & Metabolomics Core
SP:SAMPLEPREP_SUMMARY Facility.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE HILIC
CH:INSTRUMENT_NAME Thermo Vanquish
CH:COLUMN_NAME Merck SeQuant ZIC-pHILIC (150 x 2.1mm,5um)
CH:SOLVENT_A 100% acetonitrile
CH:SOLVENT_B 100% water; 0.1% NH4OH; 20 mM CH3COONH4
CH:FLOW_GRADIENT 85% to 30% A in 20 min followed by a wash with 30% A and re-equilibration at 85%
CH:FLOW_GRADIENT A
CH:FLOW_RATE 150 μL/min
CH:COLUMN_TEMPERATURE 30
CH:METHODS_FILENAME Protocol_HeartMetabolomics.pdf
#ANALYSIS
AN:ANALYSIS_TYPE MS
AN:ANALYSIS_PROTOCOL_FILE Protocol_HeartMetabolomics.pdf
#MS
MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE Orbitrap
MS:MS_TYPE ESI
MS:ION_MODE UNSPECIFIED
MS:MS_COMMENTS The MS data was processed using XCalibur 4.1 (Thermo Scientific) to obtain the
MS:MS_COMMENTS metabolite signal intensity for relative quantitation. Targeted identification
MS:MS_COMMENTS was available for 205 metabolites based on an in-house library established using
MS:MS_COMMENTS known chemical standards. Identification required exact mass (within 5ppm) and
MS:MS_COMMENTS standard retention times. For untargeted metabolomics, metabolites were
MS:MS_COMMENTS identified by mass matching of the MS signal to metabolites in the HMDB
MS:MS_COMMENTS database. If multiple metabolites in the database were matched to a certain MS
MS:MS_COMMENTS signal, all matched metabolites were grouped into a single identification, and
MS:MS_COMMENTS ordered based on the number of references included in the HMDB database (high to
MS:MS_COMMENTS low). We used the first ranked metabolite in the downstream analyses. When
MS:MS_COMMENTS multiple values with the same metabolite attribution occurred (different
MS:MS_COMMENTS metabolites with same mass and retention time), we opted to use all values in
MS:MS_COMMENTS the analyses to avoid biases on which intensities/attributions to consider. Peak
MS:MS_COMMENTS intensities for metabolites were screened for missing values and relative
MS:MS_COMMENTS metabolite abundance data was analyzed by using MetaboAnalyst software version
MS:MS_COMMENTS 5.0 (Pang et al, 2021). Metabolite significance was determined with one-way
MS:MS_COMMENTS ANOVA with post-hoc t-tests, with the cutoff being a raw p value < 0.05, and the
MS:MS_COMMENTS pathway significance cutoff was FDR corrected p value < 0.05.
MS:MS_RESULTS_FILE ST003126_AN005125_Results.txt UNITS:Peak Intensity Has m/z:Neutral masses Has RT:No RT units:No RT data
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS Peak Intensity
MS_METABOLITE_DATA_START
Samples H_HetCD_3 H_HetCD_4 H_HetCD_5 H_HetCD_1 H_HetCD_2 H_HetCD_6 H_HetCD_7 H_HetCD_8 H_HetCD_9 H_HetCD_10 H_WTCD_4 H_WTCD_5 H_WTCD_3 H_WTCD_1 H_WTCD_2 H_WTCD_6 H_WTCD_7 H_WTCD_8 H_WTCD_9 H_WTCD_10 H_HetHFD_1 H_HetHFD_3 H_HetHFD_2 H_HetHFD_5 H_HetHFD_4 H_HetHFD_6 H_HetHFD_7 H_HetHFD_9 H_HetHFD_8 H_HetHFD_10 H_WTHFD_1 H_WTHFD_3 H_WTHFD_2 H_WTHFD_4 H_WTHFD_5 H_WTHFD_6 H_WTHFD_8 H_WTHFD_7 H_WTHFD_9 H_WTHFD_10
Factors Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:Control Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:Control Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:Control Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:Control Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:Control Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:Control Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:Control Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:Control Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:Control Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:Control Diet Sample source:Heart | Genotype:WT | Sex:F | Diet:Control Diet Sample source:Heart | Genotype:WT | Sex:F | Diet:Control Diet Sample source:Heart | Genotype:WT | Sex:F | Diet:Control Diet Sample source:Heart | Genotype:WT | Sex:F | Diet:Control Diet Sample source:Heart | Genotype:WT | Sex:F | Diet:Control Diet Sample source:Heart | Genotype:WT | Sex:M | Diet:Control Diet Sample source:Heart | Genotype:WT | Sex:M | Diet:Control Diet Sample source:Heart | Genotype:WT | Sex:M | Diet:Control Diet Sample source:Heart | Genotype:WT | Sex:M | Diet:Control Diet Sample source:Heart | Genotype:WT | Sex:M | Diet:Control Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:High Fat Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:High Fat Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:High Fat Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:High Fat Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:F | Diet:High Fat Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:High Fat Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:High Fat Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:High Fat Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:High Fat Diet Sample source:Heart | Genotype:CHCHD10 S55L Het | Sex:M | Diet:High Fat Diet Sample source:Heart | Genotype:WT | Sex:F | Diet:High Fat Diet Sample source:Heart | Genotype:WT | Sex:F | Diet:High Fat Diet Sample source:Heart | Genotype:WT | Sex:F | Diet:High Fat Diet Sample source:Heart | Genotype:WT | Sex:F | Diet:High Fat Diet Sample source:Heart | Genotype:WT | Sex:F | Diet:High Fat Diet Sample source:Heart | Genotype:WT | Sex:M | Diet:High Fat Diet Sample source:Heart | Genotype:WT | Sex:M | Diet:High Fat Diet Sample source:Heart | Genotype:WT | Sex:M | Diet:High Fat Diet Sample source:Heart | Genotype:WT | Sex:M | Diet:High Fat Diet Sample source:Heart | Genotype:WT | Sex:M | Diet:High Fat Diet
Deoxyuridine 73393.55 72994 71806.78 98408.45 59018.28 104723.9 76447.22 121744.8 93037.09 134399.2 80267.12 105637.7 68730.27 86592.56 101172.4 89546.56 108652.7 125279.7 109376.4 66925.74 84490.58 76015.34 68958.55 109594.1 63343.59 67530.03 118932 114454.9 96292.54 62450.54 92579.28 129603.9 52268.16 168553.5 76638.42 90847.02 78632.27 103105.3 95828.88 120216.2
Ureidopropionic acid 131003 114951.8 100974.3 131429.9 117909.4 271619.4 96849.11 206197.5 225109.9 227354.6 108580.1 136279.8 171102.7 135658.9 172373.2 399496.9 362512.4 320509.1 251675.2 149317.5 113419.7 141153.3 150577.8 148883.8 114066.1 96555.59 164480.9 92572.87 111753.8 114284 145015.6 237694.8 98671.8 238094.7 177104.8 117567.3 168197.8 153576.4 161143.9 90853.85
Carnosine 3359745 3380621 2636868 2513115 1605947 6156562 7906861 6494212 9223842 4452234 2496908 2556567 2268325 2945066 2032756 10588330 9114421 8026604 7921178 5887819 2021455 1942578 2231784 1654078 1867072 5196874 6737435 4424097 5077189 5541712 2663438 1885133 1545033 2853467 1765231 8743732 3719321 5371108 7207037 9700890
Adenine 42288380 50378320 33501620 43206660 9168165 40978610 49197250 34817420 31889130 27310090 42033880 40355320 30253420 49505080 52635200 47179320 38037830 41743450 39659290 44082630 52014720 55289900 41349070 49346750 52812070 46528610 61930570 37343950 56419640 71903800 58612480 51438540 44038640 67698920 41764890 47007080 45002920 49529960 58572340 62645900
Betaine 263258700 342547000 273304300 317406400 217353700 247833000 246021300 268871800 285835700 333664000 135299200 168699400 133001200 155037500 192669100 106153000 97027160 121627300 122302000 148291200 180694000 258837900 237257000 316978400 283407400 224655000 375176800 340213400 245263100 260436500 334697500 191388300 146996800 231572700 199834400 160650200 124380400 128996000 167308500 189534600
Adenosine monophosphate 191369000 185950500 156763400 189464100 87138560 117225000 196637600 135239000 87576140 212606800 206587900 228440900 217210300 221612800 229707600 208272500 200392700 195094400 225593000 197179100 208437800 204925500 167080400 133857600 178120000 163745100 167977500 111240800 97086880 161989300 213060500 211127200 191860400 261907600 199260200 179749800 189601400 186877400 246253000 193130100
Adenosine 167860800 249834000 90878800 124772200 20257730 144468800 143465200 148164200 55049220 86766920 220797200 322892800 78330150 249398800 271520800 269208500 193322100 148161300 192582800 243615800 326769200 256819600 156955600 211293700 154289000 169394200 223697600 111042300 207556200 313555200 290449900 202148100 180204100 351360300 149097200 202862300 219312800 211870200 329271000 385506900
Argininosuccinic acid 2233796 1476681 1738506 1759361 1568783 2080119 1633592 2291930 2427606 2513121 1042844 1290196 659299.4 1134329 847900.3 1072271 748063.5 1090663 656593.3 957783.6 855719.6 991474.3 1018473 1243761 797775.3 920931.9 1516748 1632067 1671023 1477533 1472113 1629089 1127699 1567625 1027805 922635.1 897001.9 1083933 990117.1 1048473
Cyclic AMP 149508.5 115235.8 126604.5 135243.8 38978.99 117773.3 114224.3 121398.4 132566.6 120344.1 76886.31 69407.05 56854.89 73526.51 83028.16 60524.6 78067.8 68068.22 76242.26 44458.16 69953.82 103513.5 76266.07 60033.44 83143.96 88488.6 81417.4 87991.68 93452.27 104121.8 121466.3 92372.46 55031.38 96640.71 60628.72 66135.37 59125.81 57333.71 83397.33 61278.25
L-Carnitine 715570000 732125600 699716200 660991400 541483300 807935300 774769600 725646300 800299300 857298900 637300200 732386900 760050000 728811800 836737900 800014100 794477800 796368300 778730900 775249000 642901100 722532600 693720200 723780500 781978400 700188800 652348000 774158800 731033400 803374200 756048100 676157600 630316500 736708200 665064800 648112800 597025500 707778200 717549200 746882300
Creatine 1521461000 1506447000 1447802000 1534958000 1360858000 1542041000 1527093000 1504021000 1508730000 1601475000 1480583000 1526808000 1477979000 1500468000 1501732000 1506838000 1493034000 1496326000 1521683000 1415205000 1532962000 1581745000 1480388000 1539903000 1513692000 1566382000 1550724000 1463489000 1584658000 1579288000 1606229000 1519668000 1414104000 1592438000 1476676000 1456814000 1495432000 1509322000 1432253000 1515637000
Deoxyinosine 16529.06 17756.88 11346.47 13674.77 6365.172 13218.6 13687.11 17331.24 17219.71 15050.5 6651.218 9038.68 3130.032 6539.466 7696.16 8924.672 11801.13 10195.41 6532.171 7094.036 27477.66 18980.89 19873.19 43303.49 21733.72 14700.34 29925.21 24781.13 25156.97 26169.98 19301.92 11255.32 10768.77 20172.28 6178.047 7377.806 7720.153 9160.13 13413.42 15666.2
cis-Aconitic acid 2634008 3058933 1843565 2007637 3156577 2707828 1882442 2362873 1749477 1351894 1830337 602593.2 899973 2002233 1225656 916445.5 1021028 1115553 799902.9 1246436 3174514 1810670 1983055 1647145 1793302 1553835 1913062 1990117 3837332 3335267 2824938 4961720 2257736 6089645 1721063 1781927 2292517 4152986 5465336 5132524
Glycerophosphocholine 48287110 42894940 43858940 58293740 50368710 53802890 45689360 55187550 54972010 50213420 28025190 31674500 34703220 39324060 42322200 23284660 30156800 35204070 30370530 37358180 47210800 56429040 49702920 36183460 42166850 38629880 42016490 44047100 35729590 61327590 50248800 49455040 38285270 60955140 50451410 30104290 40075760 41822040 47325800 29273860
Cytidine 15939100 18407480 12250370 15979930 5278950 16999320 15782870 18073810 17727750 15134450 13811930 16387020 9325986 14108390 15318710 17682890 15202280 15045190 16120020 14019950 12969710 15574500 12252900 12612370 14027290 16081960 16317100 16823260 17865550 16730880 17874890 14799880 11484570 14999630 12193320 11913540 12962360 12720360 15214240 14279060
Citric acid 48764770 43745730 40251190 39710980 44833900 53011400 36476000 45148500 32768130 33108200 38059130 14231940 25559720 35313450 26131510 18500660 26308940 24372440 22857730 20627340 42235870 39227760 41813280 37705600 35183630 36324740 38570930 39731720 58755200 52719160 57018780 70792740 46604720 66283540 44008370 41420600 43734850 65131930 64211400 67812650
Cytidine monophosphate 1235796 902125.8 1681059 1358990 507044.5 1454380 1541812 1773575 2087662 2543688 835812.4 701808.8 1689607 708204.3 749518.4 743276 1112573 1371636 1557905 639161.3 595968.7 904591.4 814755.1 483833.4 839794.5 953385.6 710032.2 1207164 815586.8 661473.6 830947.8 1118486 580411.3 948102.4 904310.6 568065.3 583233.9 606993.5 798389.2 593717.4
Choline 15145110 20833970 12004640 16315300 9021098 13217130 14503570 13955830 17002950 19465820 13210980 19705100 16238320 19734930 18485940 19085520 16124220 20219130 15320620 16929810 19108470 17883940 19281030 18544370 18151890 18282080 22873720 18008230 18731080 17481520 20358820 30191960 9242862 40937590 15951720 16199420 13789370 11584720 37152790 38943010
L-Cystathionine 239972.7 270822 185086.4 407325.5 233341.6 277850.5 235760.3 210738.4 223088.8 192924.9 32027.98 35387.41 53342.38 42272.13 40105.01 38520.02 43420.39 46671.95 41713.21 35868.97 29290.07 563535.1 196240.2 110198.8 341839.5 257320.5 347035.9 339299.2 205476.9 427505.6 556344.4 35964.2 36495.29 31369.44 28303.17 24342.88 17935.97 23793.65 34949.31 38101.08
Deoxyadenosine 113353.2 185716.1 62764.56 105110.8 22560.66 100788.2 84148.32 84640.31 55130.32 57383.8 180376.6 168422.4 46450.97 184156.8 189636 158775.2 135394.4 100240.6 120676.3 134573 274343.3 233646.1 109328 180047.4 113641.8 135465.6 119367.4 101925.4 173688.9 260611 243539.9 148961.7 125205.2 305311 100401.4 143917.6 127916.8 140219.4 223388.8 245650.1
D-Glucose 851469.4 1028185 1590049 750334.9 3164806 997108.6 693440.1 614326.4 674890.9 659117.1 1751906 1911426 1897277 1965978 1508302 2968885 4981921 3038916 4212284 2959837 1552894 2166336 2791200 1418973 789020.9 2331195 1784997 2442857 1109580 722834.1 701975.7 5079177 1225919 2628995 3439873 1397358 1944909 1577242 3165464 1934645
Glycine 3088214 3913146 3178005 4292319 2429844 3351542 3655237 3858502 4114942 2546179 947206.8 915850.4 888806.4 1096167 1095792 839310.7 944759.2 924691.7 924571.6 1248552 1042603 2754928 1897403 1661310 3210041 2271584 4103349 3494614 2989226 4162600 3306447 973090.3 1116555 1154556 1082691 1014937 1017779 724971 1470986 1308818
Fructose 6-phosphate 1607651 717194.7 2111832 1338780 1065949 2838418 1104364 2330689 2617064 9987910 2213221 577091.6 10481310 861394.4 796494.1 4406808 15804810 5981514 25676070 4107469 600432.5 5553142 2904094 789491.2 2084434 3415614 1042027 11302920 1392620 1172319 435799.5 2995955 656263.9 955707.8 5076583 649698.3 856667.6 2436116 814809.1 301094.4
Glutathione 122621100 115652500 103936100 124686000 63148530 126059100 124243600 124343200 128306000 116735700 56914140 66637960 54269040 63269280 63800570 49263140 58599100 54758420 54210100 47552900 52758390 111992600 85537700 101005900 111255700 98516500 114082100 112477000 124417800 135259400 129842500 63400720 51587390 51681080 50375830 50986520 48042680 55670890 51280050 57982390
Glycerol 3-phosphate 40591030 38650060 35896810 39599000 16508860 44400060 42253800 43743020 48425430 46296080 33458490 31243720 34567610 39569290 39453440 41764990 41980500 43455110 35855770 33028980 42179420 50269800 30533320 34177740 42905950 43532700 42196020 41456640 45292450 51439250 48675460 44392310 32512030 56874510 34692860 36642950 35033870 38281480 57615210 40245470
D-Glucuronic acid 11252.42 28043.64 31494.66 18321.06 37986.53 18119.48 23188.97 23710.29 38776.5 34235.71 36120.32 37169.71 40028.39 36662.82 38569.7 30707.25 33019.41 36139.85 35702.87 38641.46 33365.33 14084.95 29616.08 25811.39 16654.14 31231.73 25827.99 18090.36 22050.17 16498.53 26899.29 34405.3 29287.66 40786.2 32085.19 30360.63 22916.7 27794.72 33861.93 35943.91
Guanidoacetic acid 53692.88 59753.96 51745.28 76741.13 28134.15 63451.69 78448.26 33919.79 52166.18 18469.07 36050.28 0 39162.6 23275.28 23790.19 47138.68 22494.74 40245.77 44907.41 46394.92 46048.87 40614.87 26425.96 40878.36 46723.72 32765.44 84701.17 70827.19 42326.2 42021.29 43342.09 40772.9 13362.35 53486.32 32207.13 0 19959.72 0 0 19440.4
Guanine 312625.3 471992.7 257504.6 394410.3 98159.41 267741.1 375893.3 231311.3 288915.1 155910.7 252468.9 243867.2 143431.1 278171.9 238337.7 237310.9 200123.2 178787.7 227131.4 185824.8 344000.8 357626.9 250170.5 242222 263235.2 297703.6 433134.3 210048.6 193413.4 505643.8 481850.7 226875.5 161652.2 313414.1 164193.9 142256.3 193187.6 165062.6 283709.9 219696.1
Guanosine 787749.9 1307659 496602.8 800755.8 133811.8 780475.2 831767.3 741876.6 871959.2 363053.8 569694.3 704953.6 208698.3 697758.7 661939.1 675097.4 538527.1 408092.4 485121.8 540453.7 1205563 1323954 628670.6 1362399 889839.3 802443.1 1855699 901312.3 1382949 1937657 1752149 656396.8 631973.5 1517935 372236.6 664486.9 653983.6 635098.5 1206610 1349235
Fumaric acid 12278300 12332790 10255330 10659990 5297634 13355300 16138360 11024090 14133500 18679460 14843720 19541610 10626040 14861660 10754340 22488610 15260450 16926580 17153590 15443030 19173780 11952440 10385520 13006180 12309030 12741360 15249540 12897470 14801220 15417860 14762610 19290550 13901230 26606200 12366500 13524470 13317020 15732620 24043730 19485330
L-Glutamic acid 433556100 413605200 348202800 432563700 280680000 464167600 403838100 407594900 451505700 478606000 384448200 381394500 485043400 390722100 421822200 420951000 394083500 407372200 439060700 363962100 393993600 421341200 314378400 328947300 453552400 349345900 338434100 376786200 422440000 442428500 410152300 407102300 331970800 455201200 340952200 307368400 310754100 331215500 413686300 286492400
Hypoxanthine 36360730 42430360 30803470 35713670 15248830 45900390 42618540 38290200 54450810 29229740 20786060 36381270 17161620 23913230 25923650 36012850 37750030 30729330 23130590 34025710 29154290 41310400 32838680 68388610 49033820 34028440 58720640 64952690 66090430 67911610 39362760 28455200 26800410 45965260 18900900 23694840 29919670 24462780 37101660 40238480
L-Tyrosine 13014100 13267260 11502330 24235110 15998410 9921369 10431510 18103140 17703030 14636150 6519559 8327967 11386320 8034164 9036108 6063512 5109281 5440807 7686619 6332176 10573290 18891930 15415410 17646440 15492660 14177950 15737640 17091890 18402980 15630160 19959100 15062590 9439460 13913100 14739210 10174370 10014340 10640390 8299594 11106430
L-Phenylalanine 17340910 19700700 13764850 20678970 17002000 16285830 15022200 23803780 21901180 26337060 7941539 9575865 9874263 8861767 9172984 7898241 7759453 7388627 7054022 8431125 9489424 16148920 14776920 17542790 17305730 15146360 20402720 20271950 20095000 21551290 17505600 12741570 8283606 11312720 10269500 8587072 9252160 9387244 11174630 11223450
L-Alanine 32151520 29368340 26186070 37106820 22331090 31510580 31704680 41454000 41357100 49045670 25952110 26274310 26378660 24857790 26174830 26745580 26193490 23062540 31860240 25644060 32192590 38160060 29609340 24750650 37490360 32576450 31823760 26344580 37844380 38328600 44641680 27546100 24633420 35484650 29716160 25542510 28061340 31054490 34322580 32979600
L-Proline 163099200 158890000 135534600 237412600 157242100 159720200 150230100 315405600 272519800 324463200 66533450 66468850 121374000 59210340 68807080 74372430 57730000 57396010 76425530 73050640 100141700 210828000 153163800 149448200 241976000 160479900 178622300 169290400 221342200 190156400 280148600 87984320 70371100 93677260 94596490 77513770 66704190 84862980 72854290 98968230
L-Threonine 22499260 24767220 17217050 25170620 14077650 20916940 21265220 28522910 26234800 30321140 12733750 15921110 16076260 12129700 14100240 13599420 11237040 12366280 14153590 14196700 17256300 28081480 19507610 11569090 26443460 22137860 17284750 15777700 26657890 27881020 34390750 12315660 12970060 16516960 13535260 11628920 14253400 14136060 16258200 13212520
L-Asparagine 13513510 14835890 11978400 18085510 7851865 13044160 12737730 17487620 15100360 14723510 6934099 7814699 8259272 8261255 8699016 6054133 6145042 6388629 6941354 7528207 9026310 16051010 13159850 13371720 18163600 13167870 17258080 16745790 17178820 18654960 19442890 9551675 8409846 11066230 9152699 8235230 7917323 6875645 9748755 7649751
L-Isoleucine 11693840 13501550 9899453 15004450 19449190 10918280 9411104 17644060 23374180 17168450 6500577 5513352 5920661 4232336 5979155 5773358 4822065 4773505 3933216 6467360 5254241 8372831 10882490 11920410 11370230 7859355 10296110 11672680 15223910 12846070 10620900 4979616 4686700 4745374 4578373 3861107 6153887 5305593 4594278 7318136
Inosinic acid 11975040 14838890 29905950 9300603 1610627 50297580 27463090 42041860 62085110 15697940 6540049 3900754 11658550 7625785 6723294 8604967 15214580 29940480 12829440 11292040 4555780 9121503 8648986 12892510 11038850 20822650 8696952 42249480 55476500 25534660 6101302 10364810 4670139 5812973 2495598 2185712 2327551 4279486 3611556 5685262
L-Histidine 20487740 19051090 17586170 26641980 18495440 19879060 22608320 18942270 25568210 28501720 27401920 21837330 32963040 28460270 28019310 32972580 23035880 30709720 22235690 30762400 37387580 22906020 21589530 29403590 30019580 19562540 28983820 37211880 22658760 24889690 23287170 50001920 28298420 70130580 36213700 44822090 41864710 32193410 45285800 36722810
L-Lysine 42820490 41828830 38123680 46978060 29639710 44528410 38517400 50884640 49175640 56748220 43528880 45997210 56502970 43508390 45477360 46431380 42436260 42346440 46577960 41144440 43569550 53612370 44517630 35233860 45361780 41842240 39122350 38315750 47274410 43061540 53615150 41829130 35040780 42249650 39531550 37565110 35546320 40907720 39964400 38945350
L-Serine 8398746 8033123 8102344 11002930 6251383 8303032 10420160 10552950 9353863 10450160 3881256 5007663 5532536 3140946 6236267 4526754 3842816 4020788 4490243 4566502 6976596 11835620 8890663 7284255 12170870 8054971 9809771 8221183 10054540 11590220 12338890 5189165 6397028 7464292 7355157 6282495 6212675 4180891 5923064 6525756
L-Lactic acid 252935600 212884900 202925700 262620900 112503200 282416500 301828500 200681700 269855500 272166700 225482000 228048100 225021900 195662500 226072400 297750800 309890400 230793300 281520900 204107200 252487400 370070600 265911000 248873100 368444100 290151200 315264400 314643400 336627400 407999700 313050800 339876000 211338700 532792900 240337100 215882100 300658700 300897100 348202600 295742300
L-Aspartic acid 35240720 37385840 42597360 34911180 13099130 28635730 33879390 37842100 39799310 34435140 17720030 21847190 10215800 27522510 35480560 4433279 3289396 12299130 9909925 24744420 27469110 25771670 19607330 17875900 16376210 20131230 15467470 15516690 30824920 32541970 39350220 10725720 11624490 15127190 12937920 12068530 15641800 9980947 14346110 7652139
L-Cystine 0 0 0 18450.08 23280.15 19689.39 32062.69 27822.02 50257.42 17700.68 8613.621 35228.32 29213.32 48481.14 20183.06 24762.54 23679.12 11176.67 18066.45 30035.95 34042.46 20756.07 43159.53 35603.9 50187.6 41200.62 42723.45 39704.79 49890.38 44371.53 63294.62 59326.71 97544 57295.5 95436.29 121756 156425.2 103203.6 113330.5 131527.3
Inosine 7201922 8499431 4889419 5731791 1267084 8277416 9206751 7423518 13522960 4113525 4467679 6446233 2619703 5414788 5199123 6279179 8473410 5475721 5080741 5449929 8780916 11055540 5287062 15857540 11007150 7999493 16366990 12999780 18033820 19549670 12170100 8010158 7188462 15692770 3677051 5163464 7419584 7143449 11780010 11467380
L-Acetylcarnitine 694299500 724719200 627784800 722395400 491916200 636881100 701659100 596134000 609840400 643068500 647719000 707340700 747864600 679121200 692733900 741929500 717666300 657289300 734447900 667154200 672546100 779712100 716139300 587806700 689753200 662479900 678223700 618866600 729925100 704990400 766090200 675508700 560660700 778800000 599215000 519484400 602104600 628642500 645283700 640110400
N6-Acetyl-L-lysine 321363 278547.3 239942 420286.9 388212.4 325914.2 309536.7 472399.8 379133.9 519642.5 251892.8 309712.4 241221.3 242885.7 260730.8 234520.9 278813.3 211795.7 330878.4 227240.9 171336.6 250289.6 234779.3 275422.6 277890.9 258734 347884.4 258657.3 272738.4 330624 279164.8 291321.4 224301 277570.7 266775.3 210158.9 239538.8 216965 243716.2 248118.5
Oxoglutaric acid 1112330 1439165 765074.8 1029923 1778335 1309014 1226835 1223559 969362.9 880787.8 674948.4 576143.4 600890.7 874967.1 490608.7 1357493 1049086 885261.1 775730.9 788272.8 913245.3 720583 749619.4 1241257 1318391 762621 1776367 688035.2 1422960 1352857 107892.9 117753.9 72957.88 126411.5 101779.5 86479.32 66022.83 83211.74 85937.23 83531.45
Pantothenic acid 5410781 6901861 4403968 5171763 2280704 2676505 3041620 3595913 2808066 5485588 12100200 15558380 12250460 14128890 10902220 6762452 8267616 6414935 5117554 5604593 23944750 7894150 6574227 6973320 5667195 4460365 3733443 2939689 4224880 4189813 9335394 25322710 17043300 31816780 17726650 8718594 9845953 11360840 11100920 11618680
Ornithine 3781786 3813323 3726928 5566466 3573806 3485207 2945879 5561707 5087926 5673357 1704225 1657718 2654494 1762773 1728339 1680402 2060460 1816340 2037103 1711411 1830549 4770117 4205281 3807294 6051190 3697768 3538499 4207522 4072663 4285965 5212864 2512241 2146460 2513692 2425149 2054901 2455982 2027809 2787688 2116623
N-Acetyl-D-glucosamine 17699.41 23638.42 16695.88 18710.84 14202.98 19440.51 16397.66 9128.417 18895.83 10349.64 0 0 17107.39 18974.38 9575.754 12256.55 17000.91 9450.089 10891.99 9827.038 22082.82 0 16874.82 15318.5 16508.4 19875.98 20299.44 21820.19 23669.6 22583.84 0 0 0 0 9739.235 0 0 0 0 0
NADP 333165.8 318546.9 298630.7 319851.7 106748.9 260712.7 283944.3 298404.2 241675.4 264376.3 229007.8 163352.1 221394.5 214541.2 236359.3 263125.7 217521.4 273500.8 237423.5 185218.8 366519 318243.2 325496.9 116615.2 201564 245268.9 238882.3 119171.1 134407.5 157193 604002.6 444430.4 290357.9 673305.9 391609.2 321976.9 243673 253791.1 806084.3 414906.6
Palmitic acid 374722.4 362131.4 480470.2 449544.2 381925 379039.8 392070.9 379186.9 348054.4 472182.5 434398.6 400545.2 376911.3 386250.4 365775.6 463994.1 418948.7 366698.3 472036.2 383833.1 430952.6 386369.5 393978.2 426860.7 431685 612790.3 348985.2 379972.2 369021.3 461960.2 386815.5 379790.3 371495.5 516175.7 351741 375599.3 353218.2 388658.6 382363.4 434271.1
NADPH 49620.68 40551.92 23703.54 38064.65 9486.176 22900.62 21428.03 32649.16 19421.61 33025.28 36356.57 25325.45 36356.96 35627.42 38203.89 17387.46 19176.08 20699.68 31514.56 15681.1 24366.92 19777.54 23438 10741.23 11799.68 12783.69 12755.73 5811.798 5025.933 11573.58 33277.21 46324.62 28310.44 17271.19 32741.45 17967.2 11777.63 18459.04 47742.71 24522.59
Oxalacetic acid 18310.01 21437.3 15843.15 16494.87 13914.47 19211.65 25553.91 16352.55 19270.94 20235.18 13763.6 13102.35 16306.94 21782.47 16135.93 26364.53 14188.05 20859.88 21929.3 34272.89 19531.18 24511.68 23068.03 14893.65 18207.29 15735.9 18123.92 17421.94 18483.68 19195.71 16543.31 17223.15 11982.47 19596.82 17041.14 13100.62 18146.49 18437.64 15466.63 17207.7
O-Phosphoethanolamine 1961521 2305660 1770805 2161054 961218.9 1849286 2312009 1734192 2009311 1805643 2683820 2319955 2544045 2402144 2070955 3252909 2345948 2561865 3100789 3129713 2299915 1921331 2186115 1719313 1884454 1591556 2267586 2018284 2047572 1977865 2228360 3201532 1812820 4191202 2320226 1801224 1776412 1932551 3153193 2483696
Orotic acid 707234.8 594873.1 522841.6 1094451 602483.5 552767.9 802407.2 821514.8 725170.4 865355.8 285127.2 307961.1 484874.2 460003.7 331477.2 495382.2 616334.8 309267.9 361336.2 414778.9 457708.5 536816.9 453649.4 517337.3 661957.8 373498.7 660945.6 595121.8 762827.3 1222103 686224 583193.4 263228.8 595299.8 392892.2 306007.3 350080.5 288405.8 663578.6 362104.4
Nicotinamide ribotide 166759.7 173932.4 210916 143470.6 167331.5 113880.3 198902.1 145629.9 188138.9 200499.9 114136.4 222339.5 170780 181456.4 146735.1 181819.3 127553.6 216932.8 145402.6 235898.7 260994.5 127525.7 169305.3 101352 139572.5 133486.5 159785.3 74115.93 121225.2 158059.1 202539.6 215710.9 181202.5 283446.8 179094.9 168281.6 147935.8 155755.1 506830.7 306296.1
Thiamine 279667.1 341922.7 164179.4 362312.4 743453.8 210330.5 169708.9 213219.8 204236.8 150218.4 86987.84 85808.82 94603.48 127201.2 102471.3 92565.6 111014 116651.7 106020.4 127113.7 182070.4 194033.3 164115.3 145046.1 174019.6 152605 210349.2 180593.5 214616.5 254268 277726.3 160338.3 125115.8 191437.8 103593.5 142177 128563.6 132324.2 157725.6 145317.2
Pyruvic acid 550767.3 588381.2 583415.6 579361 479059.6 605385.1 768300 558521.2 714623.1 540151.6 483462.9 436460.3 541490.1 524786.3 539372.6 604398.8 522464.1 563313.4 581399.4 574481.3 546741.4 559315.9 551227.6 455761.8 604951.5 564951.1 563781.2 462669.8 626292.9 601707.9 385937.4 355488.8 336182.5 402148.8 353650.3 353476.5 363102.6 328140.4 334069.8 324976.8
Riboflavin 0 0 0 7909.614 0 17671.39 7443.956 12020.56 5867.167 0 0 6518.753 0 0 0 4626.944 13820.96 11514.7 14251.39 5354.512 19370.55 0 11503.29 0 0 8354.538 5117.273 10442.97 22497.17 9213.139 0 0 0 12928.35 0 0 0 0 0 0
Taurine 401880900 404530200 358109100 371441600 243867500 378089400 447687500 363230300 396129800 419471100 447678200 493421400 451768800 487080800 490223000 472344500 460505300 486896700 478560900 445689500 512353700 434100800 356329600 341456100 412062300 416194400 388906400 368759300 444159000 461576200 487056400 523310900 415136500 632364000 435288400 430675000 440800100 445917600 557743900 526159500
Succinic acid 67123380 55690940 33914940 48494130 17469970 38658260 40257330 30150800 34237090 27854770 64587980 22697790 33668980 74833950 89494590 39066230 53091260 51805980 39003060 44457960 76703940 65623850 35460630 33036440 32100220 46614320 45720660 26719940 26136390 45837150 64302310 88407450 64782720 125499100 80206820 69539900 52653720 61825940 104428400 63612960
Thymine 89979.94 97159.32 88841.55 87742.47 76339.24 101709.7 92276.8 103409.8 101303.7 115938.3 84304.11 101742.2 77951.98 93682.17 99904.25 88988.91 101901.8 108992.5 104579.8 90281.95 102629.3 102355.4 94260.45 109984.8 87769.66 81808.82 105684.3 121038.2 109824.8 103847 95042.55 119170.7 76455.66 128787.5 89104.3 92476.36 88050.35 87849.85 104731.1 104524
Phosphoenolpyruvic acid 2578039 1714082 2727780 2884654 1941544 2494300 2004390 1887491 1559826 3593550 4965757 1377135 4046272 3136162 1953688 4245987 5189097 4435395 4942755 2094712 2371791 4583145 4486672 1452177 2666305 3521831 2152540 3019294 1579885 1740515 2847807 6286372 3640102 5328441 5931001 4178524 3883974 4676738 4804854 2788187
Pyroglutamic acid 6355956 8950894 4186246 5706098 8530713 4508937 5600269 4170318 5547424 3783210 3391208 3566159 3792482 3940752 3220417 4697358 4494855 4912852 4398790 4295506 3503123 3406232 3078391 2914849 4170810 2660833 3351809 3670191 4498196 4423321 3755596 4050151 1999140 5273442 3029837 2776279 3010820 2802557 4943009 3365628
Thymidine 79365.75 80345.21 65429.8 77203.63 52024.9 104103 78867.09 108186.6 103332.9 116066.9 80178.15 141118.4 66981.49 110433.5 122010.8 106973 108693.1 145156.3 138712.7 78778.37 110195.2 104267.2 84505.44 128351.5 66992.02 82548.59 127265.6 134817.8 117873.2 113928.4 96022.34 145079.6 61438.27 227365.9 88962.16 102210 89169.3 102769.4 142273.2 148916.2
D-Ribose 68869.48 58417.59 100545.8 50367.07 85119.05 46565.3 47033.8 43624.02 49444.84 41358.19 27828.2 43654.31 33400.66 52482.66 24604.53 41256.34 43005.95 35366.66 23380.72 24375.71 42201.13 42216.64 50301.75 29563.03 41365.94 49118.69 34252.07 43698.07 65640 49175.98 40375.21 48923.29 23941.84 64462.43 43129.14 34643.66 22717.62 23676.36 43423.97 32330.06
Uridine diphosphate glucose 2586136 3315858 1922782 2450285 1889253 1787240 1968910 3063321 2293288 1683581 1110467 1837911 1095795 1830325 1642750 1266653 950287.4 993188.1 1086509 1100078 1265337 1845020 1521082 1436280 1101899 1507501 2729544 1254341 2017226 1434632 2636782 1451552 797685.2 1748114 1414029 1132502 872801.9 764456 1579024 2054007
Uridine 5'-monophosphate 1578279 1156639 1982145 1762203 666267.6 1831849 1796759 2039604 2297972 3147051 976419.8 884290.6 1920200 764089 992275.6 942004.9 1545166 1548865 1995300 999072.3 706390.1 1503814 1216861 602932.8 1178995 1600321 793892.8 1632994 1037866 725223.9 1011481 1405571 694967.3 1082582 1264600 769699.3 743376.6 900791.2 785020.4 512916.5
Uric acid 8139598 7175856 6553579 7323410 4647522 8079416 8632135 7331667 8737837 8149695 4689430 6270506 4523537 4575963 4211295 5369359 6365505 6016552 6035354 4661889 5400228 8442765 6905187 8826245 7322363 8622300 11205940 9834323 9545542 10073120 9566132 9049485 4332852 9498579 7427844 4962230 5253006 5427594 8571365 9132131
Uridine diphosphate-N-acetylglucosamine 5592398 5028289 6071247 5021477 2480025 11040890 6137911 9849628 10519190 6279590 2119523 1694586 2525045 2275277 2275153 2365802 2785235 4033945 2687382 2479797 1808136 3723679 3078728 3443959 3546734 4371592 3469510 6413929 8553474 7003501 5442348 4320673 2726287 4559349 2850126 2172625 1745842 2697548 4014119 2778585
Xanthine 10238160 10936140 7772833 9657436 4047664 10549650 10440920 10027190 11516990 9747024 7057480 9744218 6084327 9099368 8690929 9413061 9816730 9824193 8163604 8766130 10978400 12834780 9340283 15746700 13343710 10906870 15996560 13219740 16304550 17890280 13723820 10685440 9709232 17539380 7392069 8450157 9785375 10744140 14059420 14614750
Uridine 5'-diphosphate 473797.7 386296 243700.7 459071.1 591150.1 128499.2 163012 122576.2 123327 170761.9 164755.4 40944.53 605665.4 125236.4 120992.4 168200.1 222334.7 191704 288940.9 128377.3 100580 169932.6 323081.9 49688.72 56738.48 100707.1 60649.11 135953.1 81108.16 41830.34 214714.5 260275.5 119455.4 162855.8 419793.3 135210.9 68880.46 76427.18 170351.5 39774.71
Uridine 5357900 5627076 2946144 4780286 984999.6 5548451 5409447 5771331 6100895 4344519 6068331 7526763 2908811 5473505 6169168 7584916 7757919 5947155 7609176 6711564 6708277 8089405 4983840 4676329 5802532 6485745 5932222 6721325 7207838 7541386 7506170 6411277 4539150 10611250 4601910 5197147 6026654 5474375 8038631 6204800
Uracil 1806051 2245998 1179428 1812780 610225.3 1846343 2050317 1913604 2076494 1414145 880941.3 920581 504993.6 1063691 1265006 990259.2 956352 1224407 730040.3 781548.4 1565021 2058774 1029827 2308641 2133371 1738904 3093484 2052837 3009224 2776262 2839238 1776874 1187201 1966365 777238.3 1130324 1113903 1361790 1431628 2030781
Urocanic acid 1138144 921652.6 921493.7 1463192 1283836 1345690 1096135 1646458 829543.3 3934552 1353182 1563633 2039909 1165021 2292721 872350.7 3660855 2288809 1277397 1088015 3078507 1952074 3956554 1785193 1054364 1316115 3618190 801930.3 2356811 1061207 1569225 1606393 1333970 1260882 1618515 1184357 936414.8 2139424 16621410 2880599
3-Hydroxymethylglutaric acid 475319.5 626754.6 313918.2 908865.8 799177.1 406706.8 449159.2 623481.7 480608.4 569973.7 291689.1 354926.6 432185.1 388152.8 366043.6 339739.3 333470.6 358871.8 395306.4 455191.6 408202.7 446664.6 436388.5 419145.3 386008.4 353997.3 675360 457875 525387.6 583557.4 580258.9 538002.3 315143 637922.1 420579.1 306603.8 403433.4 414907.3 552519.4 426826.9
Allantoin 1580676 1452079 1324928 1517448 1154127 1680706 1715913 1398569 1229916 1358373 1475521 1818393 1363511 1994906 1723833 1508872 1715731 1754558 1605759 1117952 1287721 1497220 1334844 939150.9 1234027 1267542 1753079 1191708 1223390 1701431 1725318 1382947 1075652 1899385 1305731 963106.1 1167726 1007598 1589694 1460882
3-Methylhistidine 25711180 22187010 23947640 17636100 9251552 25120810 31625350 23855970 25854880 22803430 14519000 18177960 13020580 18433170 18221640 14629870 16570290 16105670 19584010 13351190 18149320 22204390 17498370 13043860 24101910 22594400 27200610 25228330 25443580 35180100 30513460 15109890 14794880 17498960 16173440 15996500 18234570 19539780 24728860 22486570
Caprylic acid 2363678 2425110 1011318 2759334 2207733 915438.5 1159790 1144579 2050873 821363.7 857726.6 1395577 1588761 1379509 1747489 775343.3 963786.8 710097.5 980319.1 866094.9 8949964 1021487 3477564 661361.8 865546.9 781014.4 1554998 728500.4 970571.8 818295 1176608 952662.2 569572.9 1262791 558015.5 627048.4 829916.1 1081399 685351.2 821952.8
Aminoadipic acid 983636.1 916235.9 869242.4 1479861 775806 868369.9 1019209 977345.4 912179.4 747294.9 208928 225629.1 258140.2 193657.9 172393.3 197559.2 201645.2 190633.1 256376.6 230192 171502.7 927908.2 735492.9 279751.7 1070632 745854.5 562250.3 832868.1 672099.7 899729.4 1031722 191377.6 166962.8 189128 207082.5 143486.7 167025.4 158190 217902.7 164490.6
L-Arginine 74468680 76523930 62359900 73404640 58886520 68127610 68626460 73703920 75505660 77638890 67209420 70887940 72601590 72488850 64230570 66105310 67416630 63411060 63705660 60420800 67875850 78543840 73703080 68792090 66123350 67219320 71771110 73590650 73516100 80268090 73832080 72425740 61472640 75809490 66813460 62334710 64419450 67743330 77882710 70866420
Adenosine triphosphate 297894.1 194947.3 240827.7 171593.6 610001.3 106187.6 143103.4 108609.8 135603 141035.3 167015.7 54188.7 223473 209500.2 116009.7 190553.3 202668 197019 246381.3 111289.5 162938.5 208495.2 568003.3 66129.31 90170.59 167879.3 156333.5 158946.6 125263.7 94774.44 446956.4 554513 235516.4 470857.5 603978 312173.9 179510.4 173657 751093.8 153861.4
Creatinine 73888060 73933220 46950730 67226940 28604300 69689080 75504080 56527100 49770300 60320390 50899540 63029330 53223860 55263590 57271320 64372840 49876190 62559170 56496310 55505400 52790630 62176700 35600730 31911060 41422870 44933480 41177160 37963160 51038640 60224130 69249140 55544970 39330610 75841820 45632680 47793330 43366680 49475500 65723330 53686460
Galactonic acid 1086901 921897 1040283 1030854 1004066 1106984 940261.3 865912.4 1118611 878583.4 804907.9 769739.9 728478.6 773541.8 655696.2 990572.1 835558.3 904553.1 903087.5 1057086 917723.3 892515.1 917184.4 938673.9 907547.3 944557.3 1140094 1168501 927835.7 929281 962235 1289230 709917.4 1630326 1338121 867144.3 1023404 780501.4 1206118 1247098
D-2-Hydroxyglutaric acid 10065440 10555650 10107680 9243198 7896224 8948357 11128780 9905046 10281470 13631410 10952280 11075950 11552140 9039450 11562710 13596110 11799140 14410880 13015660 11759530 11729130 10295080 10099680 8523568 9358406 9806792 10595510 8868039 10231680 9638776 11438540 13203780 10503290 14278570 11196110 10767390 11457770 11500340 11400260 12972980
D-Ribulose 5-phosphate 3371529 3702104 2764045 2560782 719756.3 4057894 4423553 3981358 5746231 2818957 1923982 3701273 1583359 2391121 2386080 3952440 3663375 3323040 2486909 3196215 2824571 3633664 2506860 5674731 4461106 3501429 5574223 5329674 6860565 6134671 4331561 3265014 2424008 4280750 1680499 1984113 2143579 2625848 4348143 4545580
Gluconic acid 435609.9 482603.7 352750 399402.2 471960.4 414336 366731.8 451567.9 435641.3 357751.3 236997.8 347804.6 274377.8 358658.6 211519.9 384329.8 370211.9 341181.3 297296.3 244364.4 243340.6 335959.4 267191.9 279894.8 357697.9 357619 371715.6 284508.1 421641.2 391597.2 484676.2 290628.7 247847.3 368542.5 317446.5 255153.1 328170.9 240834.2 472743.4 359030.3
Cytosine 788904.4 832653.7 717565.4 739352.2 586586.4 986960.3 626687.6 832290.8 907559.1 1000440 836368.4 1075744 674740.3 849671.9 983282 1174197 1159256 1234626 1199055 845053.3 751516.9 870756.9 781362.6 1118506 643376.9 907693.9 1017316 1187441 1208016 980585.6 750617.9 1008169 782314 1021162 874541.1 1043754 855938.3 908375.5 1031955 1289795
L-Glutamine 424392500 461563400 369343500 396783700 346454800 400705200 428265200 357681100 397235500 440904100 462818100 479370300 480927200 461506300 453120100 518885000 498178400 464964700 457889000 428886900 493776200 451871600 418771500 441576100 428726100 416462400 430884900 469658600 415720500 427883200 441833600 576030300 432516200 676991800 441726600 495751400 471246900 484104600 551358800 527844800
D-Fructose 34248.72 29726.17 40432.35 67100.41 111260.7 39943.57 33517.78 36211.71 54542.49 77565.18 45362.86 42372.1 53607.84 31925.47 28108.09 64392.88 108668.2 41966.32 93605.82 60649.68 56005.89 75795.43 162075.2 49271.56 63149.39 42853.1 49137.74 72084.02 34283.44 43586.96 40069.64 118563.8 65394.87 135301.1 52596.89 40081.07 32701.27 81584.85 74484.37 42585.74
Indolelactic acid 62205.32 47211.5 42003.01 48109.8 40959.29 42508.97 36041.02 60829.4 53554.25 51929.84 42848.18 56614.55 52575.93 48666.51 50993.94 41956.75 44979.59 36378.43 36144.74 26182.77 54631.04 87652.77 43852.15 55998.21 52548.64 33949.47 58631.71 44769.3 43056.68 63638.67 80166.16 92689.94 45761.43 81056.77 57179.5 27637.31 34927.73 45008.56 50688.84 40742.2
Indoxyl sulfate 1140382 1330944 1020907 1591784 1447441 280739 151837.4 301502.5 374798.1 392432.9 1067730 985922.9 1154086 1256551 926552.9 309167 241404.3 102491.3 202872.6 126978.8 1100427 1286461 1273667 848315 1061765 232382.2 841797.2 420476.8 296033.1 684802.9 1303802 1236284 841454.9 1779261 1229607 204329.7 393661.4 197263.1 729224.1 380853.6
L-Kynurenine 144256.1 158547.5 76319.97 94699.38 103593.5 71895.85 42534.74 77720.99 67153.13 36964.22 98171.47 81376.01 69215.56 106711.7 110753.5 29362.97 71927.15 28197.64 26695.04 24691.2 28386.33 47905.66 28660.97 37528.24 30852.24 24139.53 35737.78 28719.28 34497.97 31609.18 20432.91 39992.71 53184.67 39901.3 24893.91 11239.46 39366.27 24933.86 0 28575.96
L-Leucine 11842450 14821020 7476061 15114660 14141000 12362660 11029840 17927170 26159200 21646910 7370103 7568698 9972337 5156965 4942169 7336655 7061093 6474268 5463378 7177415 7744036 12519690 13762050 11160020 15449310 10354650 13582120 12694100 18215070 15362060 13010720 6643849 6129318 7572410 5688511 4976875 6348501 6957925 7156569 8876941
Isovalerylcarnitine 8022247 12411810 6249673 10305150 3985035 5225821 7164486 6956138 7185770 10772800 3142676 3932008 2032170 5179638 5349599 4944699 1906631 3857344 1517052 4182552 6162964 10395300 6515594 3497206 5839805 4986584 9646734 4335766 8442049 7333559 19683260 5605226 2847513 6931662 3937551 3623038 5349448 4446206 5695869 5539221
L-Methionine 35051720 34162270 33045010 44095960 26183260 33683030 37164840 45437190 45743400 54220940 21713870 27925380 37223760 23503710 28795470 24405590 19397620 21159710 23708210 20961440 27356130 39610400 33624580 28186290 44212010 36859930 30595950 34825530 48361860 37913900 49493460 26300790 20769110 23923290 27108800 26144750 27285220 27019620 25328380 26880420
1-Methylnicotinamide 26586410 53438380 15439690 29498220 66529840 5110338 5254081 3825286 3525673 1798806 2685498 2197854 2847439 3217446 2065855 2085017 2952677 4311337 3624451 11792360 3127514 2773525 2199284 1362984 2387865 1776550 2066485 1224741 1633972 2690798 4494797 2791077 1862112 1946260 3255207 2247572 1659985 789645.4 2851570 2216335
Hexanoylcarnitine 8360674 10363500 6135825 6681058 1613785 5693938 9626567 2602992 2507081 4730107 8157866 7240095 3697037 10295350 5711429 8929262 9647234 11754220 8225342 7156259 11515670 13204210 7560931 5191304 7657749 11381800 9052640 5464930 7833227 7795601 11607260 11486680 6719033 13575810 5919727 8554376 7368132 9078349 11414950 10930020
Hippuric acid 103071.8 127871.7 64065.32 87319.7 122426.1 85015.57 59656.3 86239.91 97393.33 106261.1 95022.64 155853 66313.73 105670.8 81757.43 97859.17 73835.98 62045.5 65375.85 64977.29 70311.71 98538.68 94058.73 69003.57 67251.93 63802.32 104359.9 59790.96 66854.41 77134.15 83172.09 60810.43 70951.16 59017.04 61962.08 62757.63 52034.23 66578.29 64074 62068.96
L-Pipecolic acid 15419630 13283090 11344060 18444880 8664218 23395940 21625790 15049970 17404680 13708290 5664454 7861839 5239782 6614487 7274373 9797272 9889558 9114869 11054700 6497537 3481998 10768540 9183844 4631814 7933679 12255970 19373400 13967090 14992120 20641550 12059200 4944587 4323562 3917939 4868866 5667070 5242183 5082986 6204144 7810784
L-Homoserine 15030510 17208820 12728400 19619270 11788150 13744410 13709850 22362380 18723940 19863000 7081027 7986796 10651930 6942724 8799058 7806672 6108574 7038365 7422969 8471500 10342800 16502800 12132180 6884210 16734050 12076400 9635303 10346260 16966190 17998900 19855210 6834118 8070966 7858740 8538583 6006419 8801492 8039709 10511490 6646881
4-Hydroxyproline 2671871 2136865 2358035 2871974 1172335 6069107 4168136 3893154 4673686 2892767 1079951 1556453 1179466 1059515 1695750 2356282 2185021 2535742 2864220 2486385 739324.1 1609308 1237203 1080859 1413294 2334681 4117616 3589351 5119098 2829371 2153946 611291.8 882214.7 692378.9 881547 2316238 1465731 1401564 964849.3 1798083
Malic acid 158600600 142948700 129339100 122200500 78861570 158491600 184449400 131776500 153387400 210911400 171497000 222597200 129342700 154380000 128990500 216140000 187627300 178240400 202630700 169500900 192146700 142772200 127004400 158382900 139013300 140059000 175005800 144934300 164265400 158771300 157196100 199758600 150737800 253552100 136406000 135970600 143332900 182024400 235804000 210641600
N-Acetyl-L-alanine 481191.9 536536.1 450577.7 525152 408366.3 502345.1 467958.5 485828.1 537538.7 445304.1 357938.3 325357.2 377017.7 390934.3 352270.8 406889.2 388957.3 415956.3 353818 357437.6 367818.1 479536.8 356774.3 458971.4 475224.7 497049.2 520129.4 540435 606794.9 640293.9 504959.8 490186.7 320765.3 482482.4 430361.1 343610.5 367597.1 369778.5 415438 503282.5
3-Phosphoglyceric acid 3424261 1900125 4357313 3750953 2456007 3210295 2106545 3639084 2870156 6473410 4406949 728513.4 3684854 1784687 928882.6 3211866 3989420 3814166 4280874 1437081 1486556 6509605 5812550 1315725 3244587 5055509 2817875 4588011 1845169 1634700 3666899 8153616 3871312 4863368 6523634 3989894 3748898 4730011 5228164 1811855
N-Acetyl-L-aspartic acid 21060820 29565810 11622860 55267710 27128760 25307610 30086030 28124960 24756110 17540130 26240130 22139480 37247320 32690800 29139310 17395200 14691970 21157400 25219970 41312630 25194100 15688920 15910940 11807090 12210650 10039560 23236960 11292610 18023140 11728810 28813140 21315010 18664590 17537440 25273450 21125930 14260220 14859530 13516040 33804050
Propionylcarnitine 55992700 63040920 54362870 57380030 25737660 59729220 49053280 62030110 62627190 64012180 31864290 35864600 35611610 46319380 81327080 45840120 36191310 41498700 37052580 48510380 30459090 39540340 35565790 38361830 45532910 25639450 47798620 34811870 56572710 54616240 67238060 42669530 20852840 46846230 43193250 24352380 21703030 26671360 37244190 39112400
Ureidosuccinic acid 543436.3 371054.4 272113 538617.3 999819.5 262735.8 346485.4 562106.7 364552.4 712514.2 106719.6 111827.2 133143 144586.3 113523.3 129334.4 73610.88 107616.1 90887.3 185651.3 104370.1 169426.8 153799.1 216239.3 265769.7 135324.9 232363.5 192586.1 286300.5 387925.7 258341 129091.8 94396.88 98847.94 106828.7 94637.52 102951.1 76728.96 100545.3 79939.49
Nicotinamide riboside 521762.1 702504.4 388805.9 545714.6 411962.1 413862.3 489313 420544.9 359400.7 386702.4 289921.1 347654.4 202180.7 365921.5 335757.7 445276.3 352626.9 366365 255230.7 405637.4 560285.5 473073.8 281961.9 440798.3 403728.1 393710.3 554997.1 322354.1 420638.5 576819 521510.8 386449.2 354090.8 759573.4 275310.2 367505.3 349660.4 300998.8 655907.4 650800.8
L-Valine 22359690 26681470 18390750 22381090 19858800 23091460 23738960 24216400 28242790 24220000 17587070 16273100 16396910 15159080 15483370 17524120 18280280 15557800 16844730 16442450 18058800 21947790 18220800 16319430 23022880 20437660 20639750 20947510 25665300 26185960 23785200 18312840 12983610 18042020 14955930 12321760 15195130 15303940 18278980 16240840
NAD 12496950 12799970 9558873 11938730 8061410 8247862 7771481 8178283 5956998 8955898 13309600 8599392 10269650 12376120 12843110 9050695 9143837 9196849 8216503 8789221 17543250 11063040 9811010 4263238 6106467 8251765 7684426 2410286 3397167 5683723 17604890 17536730 13716510 18497770 13560880 14966490 13345370 14565170 19584310 13271040
Citrulline 55694960 53407270 47878380 66728470 38434960 52556050 53344480 46717820 45241020 46461580 79027910 76381780 75743770 74711650 90712460 79593650 73079340 66503990 70050610 60099840 78394500 73682130 65730380 52445840 61975830 50258930 71259300 69269420 57745910 62240490 74269250 106937500 82905560 121535000 81186900 77041630 78400580 70211940 104050000 82408520
L-Tryptophan 7488783 6317632 6519024 7515581 7452507 7083905 6809852 7236340 7457465 7515567 4484496 4683598 5339473 5772941 5780049 3978364 3850812 4384482 2677755 3008682 4396295 5746846 4897230 3742788 4970636 3936682 5351901 5494026 6720295 6721108 6718526 6127946 3437432 4469695 4857480 2871719 3239455 4825678 4484460 3115510
Uridine diphosphate glucuronic acid 151806.6 165006.3 148279.8 125239.8 78950.27 141394.9 131131.9 153860.6 197808.8 120730 91192.54 96032.7 70272.14 86357.33 89297.8 91913.19 86664.58 99534.02 87024.66 112952.8 51405.82 101722.1 90429.04 83707.66 85162.06 100853.3 145123.6 134519.6 111084.3 115563.4 143661.9 118893.3 56315.39 99306.69 100712.7 54120.16 54806.54 53010.27 107836.6 79408.35
S-Adenosylhomocysteine 2240273 2272946 1510538 1716702 1043877 1305661 2150265 1150986 2297829 1854498 2204832 3349397 2126482 2161288 2742231 2837749 2208512 2450667 3091741 2548201 2471048 1891685 2141764 2517028 2062043 1971299 2451983 1922000 2381016 2499689 2456387 1792401 1879136 2501559 2109573 1735127 1609780 1775524 2571306 1742771
Hypotaurine 2277205 2359632 1894453 2367596 1235945 2852758 2513793 1970984 2113367 1752126 1874617 2048660 2090216 1870145 2091588 2393262 1935173 2242610 2219219 1865097 1895326 2591767 1643500 5658035 2321471 2429057 6281237 5793076 2501916 2527270 2896732 5611286 1864670 6067321 1917837 2638697 1772543 1940686 2501985 2887239
N-Formyl-L-methionine 166336.5 176484.3 124457.3 151598 67905.34 187710.8 192498.4 163815.3 185104.4 194197.3 122407.8 143273.1 140745.8 145146.6 148302.3 229529.4 178180.1 208952 158890.7 158353 169230 204988.5 117405 143832.6 159178.4 183558.8 198223.1 146355.9 245762.1 243832.1 230338.6 184875.2 113784.5 207488.4 146513.5 136465.6 162354.6 184183.2 201100 224042.9
Deoxyribose 5-phosphate 42107.36 46639.01 33821.27 45817.64 32783.4 50612.03 40846.87 69381.04 63056.21 70092.34 38370.22 46017.59 62883.49 32350.92 46955.05 46605.58 73721.28 43819.2 117955.7 25707.83 35130.88 53056.03 48882.04 44082.31 37461.64 33514.42 47012.4 46869.51 57549.53 44348.48 0 33243.25 0 31692.62 0 0 0 0 28221.46 18451.96
Fructose 1,6-bisphosphate 146843.5 108981.6 170459.7 99090.34 128835.1 93434.41 98789.93 133807.8 133658.7 171212.1 176297.5 133034.9 618746.2 128710.1 100007.3 247218.3 712709.1 294111.8 1346195 215518.2 81376.68 352686.3 261874.6 95080.55 110047 144409.3 107946.2 197152.2 71388.27 84705.2 113745.9 1027329 129130.8 209240.9 1387815 161346.3 205245.9 120278.4 303388.5 74022.35
N-Acetylaspartylglutamic acid 319676.5 589925.4 106384.4 1753085 334281.1 634372.1 806467.8 601884.3 562287.9 305338.4 245045.9 122925.1 798958.3 499760.4 347257.8 187529.3 93228.72 213323.5 187235.4 260324.2 413414.4 248164.6 153990.4 101348.8 235128.9 173459.8 306237.5 156368.4 589689.1 214028.7 644520.3 159921.2 66195.96 119235.4 100969.4 159117.2 62512.42 102179.2 66256.55 204434.4
D-Sedoheptulose 7-phosphate 221774 174839.9 214307.3 235818.9 214040 297776.5 236831.5 321583.4 353143.8 299006.5 108137.8 154443.6 116035.8 102894.6 107479.2 134812.4 202733.9 121574.7 192094.8 167178.6 111552.2 236731.3 187925.7 198081.7 192693.6 234709 238741.7 530427.1 384846.6 359797.3 156865.8 161872.9 89389.6 133487.1 156101.4 69759.05 105584.8 93718.29 170523.8 142251.3
D-Glyceraldehyde 3-phosphate 442662.4 257722.1 287055.2 437313.5 666825.9 292643.1 177300.1 395762.3 299987.3 697001.3 500238.3 178046 1021972 365481.6 249143.1 485364.4 1225515 555118.2 1155237 371979.8 134806.5 943932.8 826103.8 210784.5 412597.2 513367.8 251668.8 710705.8 126035.4 147705.4 180279.8 744962 251294.9 757341 799887.7 368634.9 519017.4 533550.1 557146.8 85433.23
N-Acetylglutamic acid 200847 242694.4 128367.1 238200.1 215199.4 168319.6 181617.2 231000 175049.5 193071.8 114047 119864.2 148513.3 114552.8 96420.15 114560.5 140665.4 120922 170549.6 106419.2 119241.2 136987.8 104337.3 126616 136045.8 138360.3 135013.7 129583.2 144463.6 118103.9 158474.2 117670.7 82821.67 122094.8 103743.8 103021.9 121305.8 107930.7 136284.2 121039.3
4-Trimethylammoniobutanoic acid 29779730 32887010 31283340 26258890 17701530 28219820 31684640 26819000 25182500 28233380 26486440 23931350 20176540 26087460 24205940 21268070 23934840 24993160 28307770 21666980 22874630 32070870 22562130 35635290 29861550 26496830 34981480 35005430 30186630 30505160 37793720 31931040 23269550 35644890 23567840 24701300 23997210 27612520 22260170 24248230
S-Adenosylmethionine 7361816 6390337 6155143 6603743 2397011 7141831 6930704 6244386 6777090 6254543 5971665 6900603 6123077 6402496 6419572 7100441 6372472 8130597 7146633 6368376 7154453 7570427 5951011 5812102 7140661 6959846 7518007 6526111 7324062 9485584 8926260 7655515 5578755 11228590 6140468 6659652 5635406 7307356 10093760 7372273
Guanosine diphosphate 172440.8 125972 122196.1 123074.5 141084.5 69957.13 85735.17 80469.45 71379.78 59620.95 115524.2 45733.51 149049.6 115684.7 83185.52 76825.77 72763.36 74240.32 61453.83 43345.02 85104.05 113126.4 147247.5 47380.93 63794.1 90087.78 88896.05 56852.26 74392.96 65825.17 141551.4 191739 105593.2 175977.4 197011.5 104348.6 110066.3 71412.33 182880.4 72973.35
Acetyl-CoA 370463.1 262930.8 254338.6 351350 108493.7 325680 379903.2 386378.4 239950.9 306846.5 267699.4 358519 717770.8 306647 553148.1 495301.2 542140.5 391020.7 582363.6 401506.2 307587.1 418579.6 370519 240636.3 389511.7 285206.5 341596.7 301306.7 363772.7 333303.2 477201.3 373742.9 263127.5 599747.1 254027 231508.3 225299.2 294664.3 450936.8 396726.3
5-Thymidylic acid 105978.9 98883.42 100546.7 102771.5 47158.79 122975.5 119017.8 143571 126769 163119.1 98692.61 128010.2 117407.7 111089 129129.3 89390.25 109689.3 140868.4 136986.3 78351.1 110581.5 120606.2 79063.95 82215.92 103893.7 108994 123091.2 76016.25 68222.25 109764.4 125711.8 152028.3 97310.8 198797.1 95898.18 104843.8 115196.4 149037.4 128043.4 103219.8
FAD 744592.8 654909.9 470579.5 536089.9 91035.37 640067.1 639766.8 669448.1 562625.6 375953.2 537360.4 938129.6 309506.7 292828.5 768036 733834.4 876348.1 1104915 993012.2 620456.8 1090388 700430.3 393368.5 265899.3 343704.8 571397.8 416279.2 441375.3 727871.8 689206.1 643979.8 504289.3 246365.9 1662247 145696.5 709292.3 266164.8 397503 582011.1 671804.9
Glucosamine 6-phosphate 40439.24 19151.98 42259.73 36576.8 17807.34 59545.11 28440.99 52378.64 51037.26 166521.5 46156.27 18924.37 202829.9 21739.08 22353.94 91269.38 298497.9 124621 482621.4 79906.94 21895.66 107971 57804.52 19607.21 39980.01 75290.5 28463.13 195443.3 29544.99 30278.56 22467.81 70534.91 19407.72 33387.81 113322.7 22621.01 29724.49 55201.44 32726.56 17901.5
6-Phosphogluconic acid 25737.59 22905.24 32846.67 26007.81 31101.87 49319.8 23117.76 36211.26 73002.16 33140.38 17679.74 9980.839 21980.45 18512.42 11924.68 22339.49 37502.34 24804.11 33448.94 24512 14639.4 30827.13 34425.46 12896.62 23960.77 28246.01 37486.02 75839.58 35473.85 21588.46 15833.59 29043.61 14507.45 21932.64 19680.1 12144.7 15074.19 12146.57 24928.56 22173.51
D-Erythrose 4-phosphate 33464.1 19672.01 44452.31 26554.51 30252.88 60435.75 24666.83 59113.16 63995.2 219841.1 52810.14 15617.91 240061.8 23987.01 22025.11 82091.71 316765 113543.5 509434.7 93678.9 29235.33 131544 62037.45 27520.75 38989.2 63347.07 26744.04 241521.7 37064.26 32087.58 18694.29 69234.75 21416.73 38301.32 147898 25447.36 31296.82 82688.3 28149.62 17124.97
N6,N6,N6-Trimethyl-L-lysine 24205960 22095740 24229200 22949920 22584540 21003220 24637750 22013490 22500010 21063240 17660750 18635840 20860980 22056830 19275520 21583320 20807390 18863610 16684160 17930420 20889500 27861390 21694730 19501270 25581830 23390690 22812440 27051000 23996460 22706350 27261810 34938140 17218290 33981470 22316920 16434360 19463310 17056850 31448560 24620750
ADP 5606745 3596347 4579754 4659435 3393370 3401714 3743235 3201253 3240576 5663814 5784640 2641974 5741760 4771375 3838756 4430787 5315944 5772436 6011985 3416567 3916458 6485591 6497219 2089106 3574780 4895147 3232836 3796338 2979765 3174776 7143730 11169300 6002115 10143350 9890051 6635647 4486755 5261786 10343680 4184311
Purine 23369.43 38733.02 11388.5 19946.66 6705.909 21635.73 25345.35 22478.14 33689.79 24927.99 23813.79 37017.32 23765.34 65088.68 59484.7 50409.2 43425.2 39544.96 26442.79 36076.09 103900.8 38285.71 17185.58 47267.55 29186.94 20786.07 43840.8 27077.11 39373.21 52535.33 25632.03 40816.55 58660.28 78546.79 27485.2 47089.2 65336.04 44159.19 74173.53 63758.45
N-Acetyl-glucosamine 1-phosphate 145117.1 207350.7 95250.93 135810.7 96307.12 129658.8 153495.3 102451.2 116975.6 109063.6 189508.3 205885 139155.7 170556 120891.4 157565.3 151948.9 162929.9 148205.4 131167.7 246018.1 254722 212489.3 187834 170325.9 296117 194231.9 245214.5 210956.3 196938.7 180843.8 242064.8 87501.02 271829.9 177370.4 110062.3 114574.4 95567.96 205022.6 176286.5
Guanosine monophosphate 5463175 5663602 5347764 5010301 1109771 6636363 7339604 6538259 6976767 6123819 3100422 4564791 3483813 3444703 3475827 4335391 4353432 4741614 4955687 3781484 3328126 5354747 4364765 4187254 5786825 5240939 5771868 6072390 6602875 6171007 5286191 3749565 2694251 4931206 3098811 2937392 2426813 2553357 4482052 3619509
Glucose 6-phosphate 4109258 2147971 5373275 3321544 3000422 6858103 2611912 6018996 6063285 22625580 5374513 2187019 26291960 2250272 2480751 10211100 34607280 14191280 56005660 10582730 1497490 13355710 7139094 2222872 4814927 7663814 2629304 24771260 3508971 2647257 1393296 7053722 1516709 2165044 14313300 1820491 2206561 6995999 1952694 841766.3
Niacinamide 115726900 116736000 109142500 102145100 55373770 138589300 141591200 132634700 142508100 157252000 117668900 152251400 128100800 125669900 122942100 152345500 141009500 145323400 144879400 136507200 116204100 143710000 121170700 139026600 138685100 135479500 132401200 153009200 164527700 170918000 130432200 126809600 105106000 152060600 111374700 109895800 116660600 123898200 147153700 137765800
Citicoline 2743685 3234283 1777109 3050087 741129.1 2455295 3483238 2761856 2140081 1957096 2770047 3422033 2640465 3825755 4697040 3083842 2738362 2710810 3427114 2835447 4171449 4154814 2703253 3037062 4078525 2946877 3649818 2692285 3721797 4663252 4241675 4008411 2744737 6504892 3181072 2916427 2967916 4045767 4743010 3775124
Coenzyme A 557347.6 675083.3 570445.2 659658.4 135742.9 770451 838871.7 720825.6 730978.4 1077229 439551.7 682420.6 1236102 601663.1 994878.2 652420.3 894756.5 721987.4 978769.3 620983.3 420314.1 651094.8 390474.9 674293.1 793128.4 505189.4 619796.4 608485.3 616871.4 945249.5 527736.6 678070.8 464414.2 584188.9 496211.3 287713.3 333444.5 452639.8 726462.6 543416.4
NADH 804045.7 733531.1 362603.1 589274.6 251907.2 251409.8 318571.2 259407.5 240872.5 594137.9 1094803 660715.6 2029347 1549605 1658529 721017.2 1028731 406139.5 776037.9 233089.1 373845.8 678743.9 407794.9 97295.18 143282.2 223629.5 125404.4 88988.79 35341.93 75292.32 284141.8 1270464 654595 0 1044007 556608.2 392522 452689.7 383691.2 160943.5
Phosphocreatine 1317154 1977207 338143.9 503099.7 4602332 181053.7 167794.1 123545.8 226388 58782.22 114013.2 18354.2 57847.37 679850.8 163032.2 47228.72 60642.86 101305.1 56512.82 107898.7 102423.7 195511.5 142793.2 55348.38 61029.88 92216.38 55622.74 97433.22 95397.67 43218.54 1585530 211010.6 52236.39 197914.3 164796.4 92060.13 83175.64 31876.21 764143.6 57987.77
Glucosamine 14272.57 0 17558.13 11378.32 40627.02 12766.42 6676.033 0 0 0 17396.69 21095.3 28822.38 23777.87 0 36127.07 56483.99 35491.13 49608.84 31088.24 16531.37 28793.67 36503.55 21498.15 0 27938.46 22608.16 35006.96 22870.38 0 11925.04 54244.44 18922.55 18874.01 43765.84 19065.36 36925.41 21312.24 32193.73 19605.87
AICAR 89000.25 56969.14 49695.2 42477.56 9563.688 55778.75 87301.52 77117.27 57058.35 45485.35 38045.88 56195.27 21501.61 48318.06 57637.39 65850.45 53207.38 92820.23 40581.54 47704.3 51657.96 56751.73 28405.87 53564.4 33320.64 53409.77 66793.02 59208.32 64015.75 113942.2 68925.7 133217.2 31076.11 137504.6 43860.76 70362.24 60189.12 93365.88 108221.1 43305.73
Flavin Mononucleotide 15443.64 13773.18 5865.258 12205.7 0 10297 5646.184 13244.7 12155.48 5762.151 12667.02 12116.75 0 15830.07 14819.9 14319.52 13334.53 21122.45 20601.98 13770.05 17623.13 13322.81 18530.85 6571.239 10913.13 9586.117 10647.44 12702.8 10651 13054.91 15772.2 15522.67 10727.4 31934.66 0 14552.21 13862.51 12899.17 22739.56 15492.01
Asymmetric dimethylarginine 8585848 8244281 6405342 8234316 3873135 7192129 7426020 5149417 5722975 5478592 8431211 8841740 7924840 9007232 9021128 7405591 9345132 8262394 8155243 6774113 7898529 8374261 5842901 6562708 5763555 6445650 8784480 8773424 6285927 9577003 8029487 10983060 6515325 14435370 7075759 6805162 7132924 6122161 11191880 9354886
D-Ribose 5-phosphate 1288042 1550203 1185628 1271115 758887.9 2464366 1460833 2408784 2757473 2007903 1118219 1883879 889117.3 1259538 1144768 1611664 2550726 1485327 2014783 2024212 1019578 2349451 2034192 3613772 2260511 1770392 1860857 4882724 4306766 3506847 354239.7 358021.1 153620.8 389062.6 241277.1 164615.5 161686.6 231014.6 441552.5 405013.9
CDP-Ethanolamine 403105.2 409258.2 323359.6 321887.3 170731.8 346128.5 407490.8 239238.2 312127.5 344550.7 555313.6 608148.9 627688.4 527388.1 529912.2 674851 727541.5 582883.2 842234.6 505883.5 566865 398465.7 377882.1 377568.1 452351.4 331158.2 466950.3 450210.5 523920.7 436459 444357.9 791759.5 553403.5 956941.4 447007.9 462727.1 388519.7 581646.6 705681.9 652772
Phosphorylcholine 199152000 190236600 154688900 190075100 101198100 182644600 175744800 227454200 213158600 269101600 97917660 105640000 95343850 113857400 116452200 141605800 127424300 158664300 113403700 118616200 98009640 139561300 87524530 124183900 123431600 124397400 173317100 163224300 184432800 162353300 184644500 162010200 77819320 191373600 76697980 93194700 75503330 85641570 152786400 94389380
2-Hydroxycaproic acid 779920.6 879688.1 616044.1 718354.7 1150704 422224.6 436386.3 537916.6 498105.1 503772.8 354066 381092.2 393090.3 581345.6 348677.1 415047.4 427330.7 470110.4 441989.9 399648.1 562290.8 394897.9 446397.5 462601.9 427101.4 451826.5 599966.6 454248 566446.9 543823.4 400157.2 382176.2 322425.4 402786.1 369303 387148.2 394513.2 393695.4 488116 425686
2-Hydroxyvaleric acid 485804.3 476768.5 343479.2 336550.8 233441 1458307 1606930 1386966 1517038 1863586 384319.7 530038.4 277380.5 402609.3 374002.8 1924624 2439669 1731299 1780455 1507517 421748.4 474135.4 393666.8 441829 467997.3 1556990 1839441 1636963 2430886 2476620 596989.9 1095576 303743.4 736302.9 357919.3 1573767 1498746 1335760 3226454 2160904
Acetylcysteine 36529.41 32915.48 22182.54 41550.43 17022.04 32652.94 54895.76 34674.84 41126.07 28149.12 9901.621 11570.61 15105.43 11560.11 13359.4 18255.67 11988.36 16093.25 12348.18 18162.74 14509.25 23567.15 12896.11 14934.74 24325.33 21737.33 36179.58 27366.65 32130.37 34424.16 25573.17 15970.93 8175.505 15355.42 10618.05 9211.65 10120.66 12449.16 11255.13 14914.98
Butyrylcarnitine 127348200 152665800 81070560 114985400 37191800 88027180 114195100 60168630 63618890 80308700 107128200 82122360 88884100 171899800 109326000 113935500 121973800 135755800 118495900 109318500 151714300 189492300 109733900 79654090 109796300 139319800 117150800 84867690 98936860 126851400 168497500 134911300 102474600 152104300 102147400 118875200 100857300 95573700 143529000 111161900
Imidazoleacetic acid 325995.8 376490.5 269406.3 385282.6 432073.6 411402.1 437975.9 515687.9 545150 739902.4 342788.6 330156.3 289793.3 332179.6 417387.8 412222.8 339549.7 393793.8 380948.8 383461.7 357283.5 341616.9 423372 320186.4 343447.3 488639.3 572053.7 375866.3 399368.8 634151 403601.7 1006865 214294.6 630612.4 505596.2 346847.7 363682.3 401896.2 826391.3 641465.1
N-Acetylputrescine 1051168 596483.8 618221 612660.8 749631.1 95918.07 83758.66 66260.83 74991.12 57938.07 51816.08 61932.02 57046.72 58122.23 52844.52 66478.7 69790.88 59172.63 61254.31 72785.09 82768.84 57424.37 68919.3 60505.58 58930.58 54020.95 55493.7 55676.57 50201.44 55105.55 92523.64 62796.63 67038.5 60732.43 57012.91 65441.23 59400.19 64017.38 56020.71 62401.75
Thiamine monophosphate 240765.5 338810.2 205906.8 209372.1 63031.13 317224.9 439482 305061.3 493351.8 369557.7 229911 369895.1 303898.9 328624.2 292381.3 494014.1 442925.3 529046.7 442586.4 517156.3 331327.7 301930.4 167804.8 454825.2 382688.6 324815.3 396233.8 583076.6 626445.5 629141.8 342165.6 325381.7 253062.6 331479.9 209655 247206.4 218563.1 249528.7 496046.6 458276.5
1-Methyladenosine 6630.425 9918.446 0 4218.372 0 3064.824 4591.811 0 4417.433 0 3967.597 0 0 0 2654.667 4454.753 0 0 0 5017.862 11399.14 5944.122 6165.793 5723.612 0 5141.855 4913.835 5877.287 4787.014 9425.433 8847.591 0 0 9177.729 0 6128.221 0 3318.079 15086.54 7531.228
Oxidized glutathione 8579339 8288298 9560850 6994242 7514787 6702682 10736140 7131172 7106776 6138260 4765600 4470088 4686691 5200809 6043262 7332156 4441962 6390168 4790215 8403372 9814874 10158220 8714137 4505897 10215790 8890110 7536743 9002773 10717470 10069880 13197490 8601030 5419435 15111080 7672569 6542111 6199054 5037699 12516860 7302527
L-Dihydroorotic acid 133070.9 133057.9 64035.03 140847.6 302956.9 62948.92 58096 85173.79 63521.01 63037.92 30452.29 29583.98 38983.75 40320.55 39349.4 36101.2 29977.52 33921.09 33429.23 43222.33 37563.19 44436.55 44834.85 46492.34 57540.67 34722.85 56624.07 44741.52 53996.53 73905.13 65918.61 42071.16 31569.17 56933.22 47515.88 33465.07 32153.09 38770.7 49771.86 33179.74
GDP-glucose 69472.09 68505.9 67724.28 64485.73 52842.94 65895.68 73096.25 67524.38 70395.12 77593.7 62285.39 62215.03 54609.29 71275.29 55082.32 63765.99 67581.48 63883.53 57360.92 57666.22 57267.36 64531.13 65461.53 53218.93 58424.99 68213.48 67876.86 54875.2 70445.62 78680.53 81543.3 72235.3 52964.87 99219.08 63642.42 47135.63 45060.5 42999.12 101727.2 58417.86
N-Acetylornithine 54437.29 43138.24 25860.27 51535.52 38125.89 31354.03 41161.59 41669.82 31500.26 31649.96 21056.08 18003.69 19211.48 22094.04 23765.34 17696.47 27593.73 16805.56 25947.11 21014.69 23014.59 53336.85 19385.5 21469.21 37779.63 19270.03 32414.59 83900.23 25160.31 37065 45364.37 96287.88 14549.37 33047.38 19959.67 21637.55 21112.86 20259.2 24266.27 21351
N-Acetylasparagine 349885.6 681558.9 279007.9 414286.8 577663.1 160330.8 162671.5 167200.4 132160.3 127088.5 106226.3 98011.1 149756.5 124073 100380.9 127234.2 138570.2 134626.6 127634.2 170070.4 144732.6 149588.8 133221 112339.8 140209.8 137196.3 205316.8 132221.3 143428.3 133072.5 198363.6 168683.8 88223.64 194870.4 149408.8 135575.7 102241.1 110700.7 134537.6 108831.6
N-Acetylglutamine 67204.43 98987.88 56295.57 65407.5 111494.1 61472.74 62993.74 64701.37 47331.66 20796.71 27039.4 0 33903.75 24903.62 23884.93 58062.99 57833.07 35558.79 28268.11 30669.92 18734.09 27171.68 41888.87 45969.59 31491.89 29650.82 81542.32 52605.65 68776.28 30201.61 50402.2 17880.97 28031.73 34781.39 26233.59 56146.66 68964.21 72713.57 0 61219.87
L-Glyceric acid 635212.3 616873.7 644110.8 841435.8 670697.9 742695.1 482821.3 652351 537101.7 547161 483414.4 339721.5 431902.8 503353.3 453144.5 466779.3 454242 433638.4 425275.7 480067.1 533699.4 704112.7 683251.3 476107.6 603052.6 673865.6 539996.3 789141.6 586943.6 710622.8 655950.9 763149.4 449285.4 973638.4 653212.9 471156.7 464818.8 532633.4 656245.8 545466.2
ADP-glucose 73960.35 67734.23 62512.3 56508.8 27384.83 80070.63 85554.27 60760.9 72228.62 78260.66 50035.82 57095.73 51299.1 51874.81 60117.58 51053.82 52483.71 67027.48 60209.74 42857.01 40377.91 62649.13 52099.42 55971.94 57693.36 53406.77 68880.03 66969.05 62228.7 78200.76 80890.27 57060.87 46704.18 81704.06 45284.82 37025.3 45241.21 37490.77 72289.76 50144.74
N-Acetyl-L-methionine 248726.8 336491.6 156875.5 244594.5 121678.7 326582 263164.9 306229.8 357428 257294.9 112449.7 133655.7 105519.6 128468.8 138179.2 210244.4 175113.6 155864.4 150365.3 174887.1 184631.7 322751.7 162015.3 343249.2 283027.2 260263.8 340892 482263.5 669719.4 829341.6 356658.7 202210.4 105577.4 229738.9 163014.2 102812.6 114368.9 125155.3 200662.7 305936.9
N-acetyltryptophan 21970.25 16058.02 12095.56 14805.13 18302.26 16490.91 12398.25 17727.54 20835.04 16796.87 15803.7 12992.2 13797.96 17805.28 14492.09 6792.141 8248.37 10285.11 10430.23 9928.895 14945.7 15924.96 10796.17 9813.148 7381.744 6303.611 15937.23 10083.06 7988.441 18879.02 15394.39 40907.48 9280.877 38428.13 22060.55 8057.375 11712.66 9957.532 22392.19 10193.59
1-Methylhistidine 2080836.591 949372.2539 1054569.568 1539641.955 508553.4237 2358915.538 3296346.095 1673378.084 2084172.559 2077190.079 783248.3654 553867.6872 827604.5151 847967.4799 676860.8834 1102489.545 1397634.662 1168326.053 872042.1263 1154506.401 793958.4929 877446.108 1048714.365 746870.8203 670006.8471 1838039.402 1564241.795 2643523.916 1819238.923 2409243.894 1283309.444 607910.3029 561284.0538 802074.8 406924.6447 1701954.846 1868740.368 1096617.564 1535884.268 858079.2832
1-Methylhistidine.2 23290921.98 22829574.18 20206479.83 16089424.35 7827168.251 21506901.66 31757243.24 24947036 22363192.69 19930992.08 12932960.82 17556702.12 11283835 15634762.9 14995571.69 15396395.08 14981790.4 17060313.41 17471809.36 11602437.08 12857470.37 20819195.73 14304985.15 11367359.19 20283886.97 21530383.5 25727488.97 20432550.51 23202032.05 32195601.76 25522456.59 12870168.6 12287028.09 16146824.83 14090553.8 14319906 16654971.47 17214942.41 22847942.84 19118479.71
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;Epinine;Norpandamarilactonine A;2-(2-Furanyl)-3-piperidinol;1-(3-Pyridinyl)-1,4-butanediol;D-synephrine;a-Methyldopamine;4-Hydroxynorephedrine 3039102.1 2959476.161 2026998.574 2808161.865 2416974.949 2693216.863 2546389.677 3606684.131 4545145.173 2837084.997 2727287.023 2925625.992 3333378.038 3648806.41 2765625.916 2926149.103 2500289.86 3226344.574 3005543.556 2813095.837 2950401.155 2377070.384 2198449.231 3218505.388 3338713.891 3106298.088 4124293.982 3371194.952 4141374.613 3442631.052 2397838.647 3062462.115 2233610.25 3915441.113 3135431.905 2910971.45 3262393.632 2898217.67 3197802.861 2603971.67
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;Epinine;Norpandamarilactonine A;2-(2-Furanyl)-3-piperidinol;1-(3-Pyridinyl)-1,4-butanediol;D-synephrine;a-Methyldopamine;4-Hydroxynorephedrine.2 9548630.649 10185252.21 8161758.069 8627427.075 11767363.26 9110260.942 11706156.93 12869716.38 13049887.82 10657852.12 11307122.71 11376234.88 11166427.97 10981220.09 10045259.74 9274422.204 9566551.022 10735563.18 10502315.75 11312188.53 11849166.04 9863831.426 7862243.987 12081873.42 10343588.84 10528338.82 10308479.87 8782905.265 12798558.02 11606180.08 7976235.825 8646837.619 10367232.87 9230174.795 11675810.59 9987199.896 12679593.95 11015723.83 9367117.614 9353657.313
Biotin;Flurbiprofen 1227752.682 1329416.102 976668.8438 1305153.244 373627.3349 1413396.443 1376566.037 1444086.78 1499555.576 1129982.953 1126207.617 1413390.917 668206.6017 1142179.444 1310431.998 1382448.508 1186839.659 1291662.102 1350674.753 1159791.982 1025629.995 1370826.352 933394.046 1004667.61 1070790.29 1283925.641 1362818.425 1439183.391 1483638.537 1411320.093 1547372.189 1288456.866 828229.616 1248759.711 920263.4592 933624.3243 1046318.249 941673.5097 1151173.557 1081108.133
Taurocholic acid;Taurohyocholate;Tauroursocholic acid;Tauro-b-muricholic acid;Taurallocholic acid 9779.938301 5306.798313 1215.789855 892677.4722 7767.863753 16262.34896 950.9668532 940.9473777 948.8340302 3085.618086 12415.78297 6098.660862 1119.181019 1397.968954 1097.089881 905.923587 1284421.628 10849.95702 7901.998886 999.992364 1038.702468 9455.78038 1543.888526 11827.88908 1485.758547 954.9451646 55389.7908 40807.91286 1994.648466 1243.161474 1590.827599 54693.02335 986.9468912 87226.25149 13178.70421 12173.42007 972.1885341 947.673905 5795.937536 6850.501607
beta-Alanine;Sarcosine;D-Alanine;(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein);Ethyl carbamate 312194.1667 30778.5825 198490.3947 305251.0745 201952.6311 12564.72823 351384.6442 354970.0153 339162.0464 427400.9504 264021.6692 235968.6378 302662.3424 255873.1973 311403.1153 423883.2246 291873.138 319191.2922 61461.0714 245285.637 36152.92907 365882.0022 338962.835 304676.6059 306551.6517 377464.1261 354039.5437 256314.6233 489617.9739 70419.01673 87712.12685 53689.1061 275508.0349 1502308.661 275424.5075 303404.5324 214253.0852 369960.5781 322643.2611 367725.3654
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;3-Acetamidobutanal;N4-Acetylaminobutanal;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;D-pipecolate 69778.49439 67406.84504 61248.74504 105826.4639 108678.722 3506266.447 1809723.633 1723891.335 2577460.19 215284.1799 20606.23128 138710.126 160349.2226 25258.56826 24560.8702 2761787.947 2717834.174 1991564.452 1269459.307 1450941.077 104232.791 35494.31771 18748.30958 193551.4299 140736.7068 1269434.753 2470031.574 1244728.977 2211657.371 617497.4236 22940.12151 126014.1407 104890.3948 106784.9275 137412.6985 708150.2749 103130.32 193767.1317 242696.0045 425557.9287
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;D-pipecolate;1-Piperidine carboxylic acid;(2E)-Decenoyl-ACP;N4-Acetylaminobutanal;3-Acetamidobutanal 67004911.41 69802475.52 63845382.15 72991278.86 47765999.66 69515734.53 56319172.04 78713061.54 72877376.85 89024241.97 70172997.44 75258516.76 90298846.14 64623589.07 70781981.29 69176063.45 73264771.8 70593314.52 70492088.14 60353687.2 64893027.38 79195896.02 67285352.61 56729958.05 71870348.85 64801186.33 62398656.8 58887240.75 68684282.37 62976255.31 84841804.87 62979915.9 57569843.63 61582429.69 61784560.79 59019445.25 56976727.27 65342631.16 59428581.76 63724902.78
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;1-Piperidine carboxylic acid;D-pipecolate;3-Acetamidobutanal;(2E)-Decenoyl-ACP;N4-Acetylaminobutanal 11241055.49 9331161.117 8290921.34 13217874.29 6012638.957 17107268.94 15739012.62 10382474.89 12696386.16 9168949.65 3995918.992 5698042.475 3680741.879 4649215.369 5296397.875 7268191.26 7083246.139 6621332.203 7543729.387 4536091.253 2514922.159 7052349.371 6374137.249 3196794.063 5417764.321 8963881.707 13683333.5 8999101.957 10266276.41 14512225.44 8176280.006 3564239.399 2897233.29 2543513.336 3352280.58 3993723.162 3717350.574 3250330.983 4176261.784 5367521.501
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;2-Pyrrolidineacetic acid;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;1-Piperidine carboxylic acid;D-pipecolate;3-Acetamidobutanal;(2E)-Decenoyl-ACP;N4-Acetylaminobutanal 13280.37596 222199.9041 12438.56466 272901.8792 243413.9104 302531.5801 148726.457 272496.0603 465769.0973 37327.06144 12959.97287 16848.40676 208351.942 14397.20148 229068.7572 328713.6377 347358.8953 282617.7574 154927.072 144468.5173 16707.37798 251586.8409 243070.2343 259883.8319 226910.4315 205289.6604 566883.5245 237001.5012 320651.6897 18689.38144 65227.31926 20968.18318 252595.1918 38280.66868 33842.97378 2448690.569 671533.6617 469557.1208 482959.1144 1136627.571
Dihydrouracil;N-Methylhydantoin;L-3-Cyanoalanine 105306.8193 94766.37908 68472.70208 93711.46709 82375.84895 177874.1439 58421.91524 150706.7108 200526.9438 191301.2913 72164.85038 175364.9608 151422.5038 79037.52661 130045.1006 377142.7968 227343.0031 191810.2451 214353.7273 100645.3668 49549.19686 72852.51491 92539.60191 78917.92385 76110.78176 54125.0459 71303.07858 41127.51631 33794.64158 74566.27065 70653.88466 143187.2052 85010.33967 150690.2417 97003.26933 114093.8362 87548.82055 69324.43059 77632.96088 48464.5059
Dihydrouracil;N-Methylhydantoin;L-3-Cyanoalanine.2 2756778383 3050478912 2871031577 2740998179 2102608955 2861475774 2673186230 2870282513 2759119398 2948974524 2707779055 2787503234 2832764472 2846570029 2602122824 2806099750 2987891040 2673877489 3047678786 2677918658 2368162754 3036292793 2614410236 2646693395 2619356320 2758627471 2691831976 2728837786 2870684065 2873527355 2877334370 2821938030 2758553932 2958255972 2894312229 2538153925 2552170426 2584695991 2713940528 2800925146
Cysteinylglycine;Glycyl-Cysteine 1734297.591 1632841.285 1493738.621 1886322.438 840425.8173 1829061.39 1705576.362 1749748.812 1648011.375 1613168.72 719999.5325 883892.7293 810136.2611 825818.9557 890054.0639 706419.3876 752309.4124 790084.6081 766909.906 601786.5464 580937.6539 1515673.317 1166560.005 1430418.652 1464812.696 1313240.514 1412776.551 1460805.71 1649448.607 1847134.746 1659578.411 692347.7213 647483.266 389642.2867 590248.1366 587548.5733 538470.1823 734177.6977 618455.9644 655036.9518
Dihydrothymine;Squamolone;L-Cyclo(alanylglycyl);Pyroglutamine 1079806.55 1218104.062 861132.9223 954055.9981 708814.1699 1049942.668 992845.3524 836538.5642 884143.0432 1120972.315 1255820.812 1336954.936 1317870.334 1184925.273 1131895.327 1316282.417 1400318.54 1204475.63 1208357.349 993048.3846 1413007.955 1165260.616 1000214.627 1157901.885 1141645.217 1075766.635 1147072.086 1240571.684 1071614.675 1185196.284 1154247.772 1770887.024 1154354.455 2271774.001 1197662.18 1469408.267 1212345.927 1357678.177 1722733.152 1493707.946
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine 19393.16825 71567.94625 40204.07325 18138.79532 4068.972108 17956.87778 11975.7447 15119.77991 12845.08025 103696.6846 35755.14542 120743.4451 11776.98902 49547.71143 22799.00773 45000.75146 46780.51854 37707.25771 28544.29701 176649.5568 33291.77587 39172.98215 70078.90778 23525.80683 19123.47459 84077.56926 66294.8159 22150.58495 22383.42166 54368.9846 81571.25576 21547.07458 30537.59262 156865.8856 77239.07271 24920.88545 42061.69397 39096.20187 675792.5777 432770.4516
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.2 21100.09501 33917.06967 11079.25937 18994.06407 3470.888665 17377.01983 39310.02296 26351.22325 18317.82102 22979.81779 147138.3187 31298.20282 47328.24284 163784.8575 282225.6267 79679.43849 24706.68324 19244.35181 38523.69698 52309.02475 96184.41512 34848.91839 39509.29521 80897.59171 67814.23688 27599.51554 42609.28155 12145.46556 58310.55262 49696.50804 49093.65727 52675.39685 572600.5847 102723.3161 23514.06821 22097.93651 84362.77578 52185.47862 84757.20713 1123564.901
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.3 28788.68824 47775.94302 34389.38788 27479.83924 60426.58637 39123.65573 33942.14023 25840.02648 19585.64512 9874.190868 21860.48974 114079.208 22987.54544 47325.19866 47550.52949 83063.38996 24418.92619 34365.86343 47998.59108 25499.11832 142617.9609 67887.06012 299529.3927 35779.72768 83827.2502 17536.75994 43882.66502 8999.244821 29558.11569 120318.7535 34992.32415 83843.48716 46346.0909 808209.4871 74522.28584 24631.23637 66483.49838 67127.07896 81793.08704 99744.56022
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.4 308435.7663 68459.5431 24173.0159 30231.89255 21151.66733 21585.64116 76686.70337 21123.44771 15828.03854 11463.57643 931680.3276 73930.17334 6725.378329 50396.62409 51018.37369 85183.65375 27194.4708 27460.50027 39683.78905 257510.0009 530174.5429 43935.59587 70094.2668 42316.70352 137273.7992 31468.86536 43955.40623 15348.72179 21719.62598 137005.2209 87503.90141 95162.10634 103411.7504 67295.97508 65598.98225 35571.83431 39396.50497 62778.41123 338302.4109 216635.8417
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.5 16112.70923 30004.11128 31891.15745 21656.00561 12053.69921 66123.1922 49954.67096 22592.03726 22017.35415 14088.02561 14614.39593 29616.4307 15566.66996 48241.44478 50849.33462 127414.5307 73707.08057 47409.31529 48999.11881 108202.2682 70462.05887 92963.01752 612752.3381 62651.68589 70528.62878 50486.88137 42334.34585 43445.51373 53184.82313 55169.50728 105181.4303 77795.34695 137424.6349 106573.898 34881.58796 51369.76508 68815.25191 65860.56946 112042.0775 171083.824
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.6 47092.23143 49444.86786 27704.87903 35131.29899 22253.69597 38316.3491 31123.91534 27482.90215 31223.86618 16150.82265 94732.01084 70902.42133 173241.6652 67814.57262 131210.9864 111118.7058 80618.23424 38993.14772 39071.69376 62484.28025 88913.83307 65607.45781 34911.38835 59994.36442 53579.55303 32533.16196 38946.45358 25571.20539 243501.8595 54098.61082 151912.5573 37828.82862 671631.4796 176277.9983 28828.93852 37394.58664 78178.79157 73619.85213 148874.6136 73000.76329
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.7 310764.8663 475849.8957 15979.02827 44548.32208 12629.4485 66925.04531 98566.24143 49243.23037 42367.12247 26945.21379 103296.668 137813.1634 63031.85209 209938.6127 132955.9733 302689.8287 644927.2048 89709.95171 57689.28069 343757.4845 306238.8951 139798.3542 75585.63411 68219.21532 38058.53228 74598.75572 121424.847 49912.62824 77170.63243 260164.6157 180921.6037 113202.4472 55584.06728 313910.9632 72365.86084 25511.78017 155106.2886 205149.7294 163083.7607 1107650.241
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.8 115015.0057 321566.9697 131859.5359 66298.3067 17604.33274 33056.68595 139381.5898 85647.21323 87717.60769 33383.88464 77370.06592 255343.3321 66898.45289 135171.8207 133103.1387 255668.5573 128066.5266 119536.6338 118315.5854 201137.3514 174324.6799 177637.6055 197702.1557 115534.3684 28920.4699 93890.41636 171512.3428 69378.7118 124425.5031 233945.6779 165479.0474 616902.0624 114366.1413 965665.9218 227596.855 177039.7694 493937.9676 206042.3235 426291.9497 485064.2772
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.9 426855.365 295565.4452 37370.38836 45874.52169 10546.0021 79269.09362 52397.00004 466008.739 53201.0061 57368.70051 45385.84344 100503.116 40966.41341 212707.2105 157555.7007 435918.384 139855.4734 73907.1462 395696.1083 45629.70456 191388.4855 237064.8129 136787.9375 124809.5477 167487.0718 112623.5911 621925.6834 37688.24314 205599.3943 154970.435 225120.9104 92271.16335 195336.3876 513738.4916 244038.7138 53010.11437 110323.079 418218.9561 616551.4397 1334473.164
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.10 148322.69 486455.804 125726.7686 171341.3392 27428.30249 155012.1863 355155.6466 160897.7774 87114.6411 69888.60424 185757.109 391558.9036 106306.1852 396218.1313 595541.2129 613403.3618 165776.3245 438149.8216 905963.0917 353459.0747 953029.7396 296667.5522 290861.0582 309875.3713 187605.7032 267342.5267 323156.8163 185964.7279 328300.253 1116259.618 887320.5729 642444.8927 268822.5887 629549.7041 766288.7486 351900.9975 940750.7383 246582.0584 1597210.181 1677338.301
Deoxyguanosine;Vidarabine;Zidovudine 19205.64055 10283.24167 10089.97675 5956.882675 4576.041911 6763.172902 8683.816195 17483.604 3618.639981 5637.462458 9546.445227 17052.14257 6114.361618 9123.785435 19784.91741 12804.63192 12685.07936 7684.582501 9384.793793 12277.55453 30665.0378 8213.013706 8673.944882 13031.9576 8791.227882 14755.89717 19083.53283 4784.114138 12366.47546 10320.83035 48080.69706 9362.225001 13015.53782 19457.04048 10564.30238 4482.869345 22622.27586 168121.1568 25286.81815 11415.12884
Deoxyguanosine;Vidarabine;Zidovudine.2 11994.16909 16159.01226 3993.544863 7216.825384 6027.14572 10338.67109 7079.454806 14156.30013 7268.590738 9671.131836 23156.66336 29659.13762 11014.74616 33389.34443 15687.05057 27501.14576 11238.41703 17620.09231 13049.72931 30802.53577 525054.918 45559.06588 11911.69893 13462.81834 14726.85488 17492.15745 12664.34215 7187.976791 46614.7139 16611.0642 16783.8095 59824.90259 28065.23628 32441.66047 39764.11811 14007.95296 18608.96284 21066.26875 115241.5902 30055.93786
Deoxyguanosine;Vidarabine;Zidovudine.3 81368.38202 56274.6591 39230.46877 43080.24537 11617.01657 37984.37831 45366.1763 39672.71596 17214.93868 17528.16771 37745.67044 160238.6017 16138.17221 65592.50643 129910.9018 91294.32071 41238.16584 19021.86331 58412.30739 79161.32945 83083.05317 58859.20349 73588.37561 22351.56059 42794.12689 43963.63798 34604.42482 24707.75995 46999.60673 73937.06235 67001.97323 108580.963 16735.27753 204512.3755 68960.99489 36638.69774 163690.5025 435435.3152 129860.4499 480633.81
Deoxyguanosine;Vidarabine;Zidovudine.4 48951.25894 217681.4305 32530.1088 34663.84551 16081.02931 47423.50216 106263.0167 57618.5615 32642.87686 26533.9785 137517.8024 213204.3763 31504.25572 112697.4908 160006.2759 112913.9051 48218.82542 42696.47118 73794.81556 769689.001 160365.2511 124736.1496 48630.80525 32353.55697 43502.40098 49518.48581 50763.86997 90079.10436 55849.90505 98982.02239 71771.20814 123828.7618 90776.0564 248376.1887 53762.00471 74001.92821 109252.8132 77721.00755 135349.3348 282836.0733
Deoxyguanosine;Vidarabine;Zidovudine.5 79374.06692 37491.05306 26321.19153 129525.1794 12440.32892 274006.0261 77620.01402 198857.4767 14365.70379 69011.84842 61906.52589 135347.592 79244.12938 59815.14063 102840.5785 185453.2861 126280.7921 47135.5735 48555.39691 952091.0372 291071.95 39408.33336 136814.2625 37476.54917 70974.85702 51919.83816 564029.6571 123092.4652 70402.02791 28408.71395 198744.9955 231957.9843 58706.98109 844187.0471 36436.10174 105165.8157 182631.9815 66416.63655 281856.3456 3030808.254
Deoxyguanosine;Vidarabine;Zidovudine.6 98608.85275 382165.013 26257.13197 46844.28972 26309.64885 84988.58178 23116.97513 62473.73788 139958.0532 48882.93511 52132.31011 187592.7674 39966.13365 127423.7503 92059.05565 219426.697 68694.80013 53111.40674 83255.7294 208640.2072 240054.0176 130274.8117 113767.8503 70622.74715 75290.40456 69472.37669 34272.32342 66359.90529 57693.62881 49518.08186 164093.7377 226307.5327 78490.04094 1223617.791 111937.6531 149561.587 277550.2789 434781.9165 790287.0294 292042.9708
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;O-Acetylethanolamine;3-Aminobutanoic acid;N-Ethylglycine 2731487.466 2728453.439 2369594.737 2637909.794 2179697.875 3067020.809 2681231.013 2792305.859 2923774.147 3407336.529 2758452.568 2752440.762 3432431.274 2903760.551 2848126.016 3208335.988 2976355.62 2877513.082 3046580.14 2714218.598 2697816.789 2629918.19 2253278.317 2289201.321 3130127.227 2351086.451 2253508.494 2727415.38 3008610.817 2785022.493 2767879.631 3212220.579 2547853.766 3567135.611 2459052.059 2346382.576 2278192.958 2540281.547 3253828.117 2113901.241
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;O-Acetylethanolamine;3-Aminobutanoic acid;N-Ethylglycine.2 7394320.319 7434011.429 7237523.274 8040380.014 6213233.077 4789082.862 6684612.317 4909215.627 4854729.597 5497925.007 6595661.579 6205656.755 6728530.862 7982597.812 6205118.043 5144579.197 5347627.903 8791293.697 8440101.869 5844117.236 6695927.36 6111644.728 6555455.168 5421496.255 4707611.522 6388525.737 5327372.259 5173875.472 4943587.397 9588560.167 5755173.92 7529849.689 7339336.039 6233387.153 5358579.346 7477255.797 8014640.446 10573125.36 5272333.153 5219979.877
Glycerylphosphorylethanolamine;sn-glycero-3-Phosphoethanolamine 5504784.671 4437157.217 5200953.397 7163514.072 3322811.435 7005363.008 6075377.227 8214799.963 7920397.135 5452361.518 1584687.488 1896672.298 2147498.712 2303816.419 2458607.349 1812912.137 2146953.361 2231409.476 1970859.362 2055568.012 3116017.123 5937780.955 4082641.355 3834887.579 5509815.706 4137382.722 5108198.759 5712136.733 4786836.057 7085033.97 6206402.186 3328228.025 2089390.486 4624052.202 2931384.285 1898355.868 2288677.62 2278318.93 3358295.378 2240089.533
Glycolic acid;Peracetic acid 10092.84454 138344.2594 130111.4858 401743.4695 867.5934551 122.288534 139.8310278 24490.3844 431889.9588 233008.7794 14409.75145 342385.3099 134.7292102 96960.75012 525968.5952 205128.4585 68503.45682 323080.6058 157.2569124 137.7829789 138.0442894 5497.856615 138.9552754 32214.75665 164922.263 181594.9599 425745.8654 217954.0803 3063.78759 773221.7246 137.6395561 7700.423369 196059.7843 138.7727474 118795.9601 83435.84047 283656.4254 28325.4335 140.5366688 123539.4199
Homovanillic acid;Hydroxyphenyllactic acid;3,4-Dihydroxyhydrocinnamic acid;3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid;Isohomovanillic acid;Meta-hydroxyphenylhydracrylic Acid;2,6-Dimethoxybenzoic acid;5-ethenyl-3-methoxybenzene-1,2,4-triol;3,4-Dimethoxybenzoic acid;Methyl vanillate;3-Methoxy-4-hydroxyphenylglycolaldehyde;3-(2,5-dihydroxyphenyl)propanoic acid;2',6'-Dihydroxy-4'-methoxyacetophenone;2-hydroxy-2-(3-methoxyphenyl)acetic acid;Maltol propionate;2-(2,4-dihydroxyphenyl)propanoic acid;2-(3,4-dihydroxyphenyl)propanoic acid;4-ethenyl-6-methoxybenzene-1,2,3-triol;3-(2,4-dihydroxyphenyl)propanoic acid;3-(2,3-dihydroxyphenyl)propanoic acid;3,5-dimethoxybenzoic acid;2-hydroxy-3-(3-hydroxyphenyl)propanoic acid;3-(3,5-dihydroxyphenyl)propanoic acid;2',4'-Dihydroxy-6'-methoxyacetophenone;3-hydroxy-3-(4-hydroxyphenyl)propanoic acid;(±)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid;2-(3-hydroxy-5-methoxyphenyl)acetic acid;2-hydroxy-2-(4-methoxyphenyl)acetic acid;3-Hydroxyphenyllactate 238306.2802 196576.6693 186215.6356 303766.2137 147763.8493 202314.7024 207237.5916 299004.5796 265429.4915 326354.6889 211992.9284 287296.2609 325233.1384 299949.5668 298122.2733 305510.698 228360.1078 248960.5907 317258.121 220901.3654 476969.1086 414496.1047 280082.0396 368361.6489 274121.1987 295991.3831 486429.3971 347861.9522 311632.4974 319308.5745 486604.3298 1127051.368 383643.7655 1203362.996 611947.6968 416788.4216 334701.581 482140.988 516499.3103 576576.9521
L-Malic acid;D-Malic acid;Velcorin 79510.5103 73215.79297 56583.40212 94354.35933 91574.90031 186981.4065 89.75617576 49764.44078 3324.101131 29402.69269 58218.76672 98186.96247 116848.2316 74743.32835 177506.811 24008.72321 88424.47845 88.31771817 57291.98195 73.99532078 161.1275904 183783.5438 86.19517381 66887.70452 171208.6417 95724.56477 104545.0054 54339.86148 183042.9482 78062.01213 95938.65062 64937.50299 86997.68474 187.9909266 71281.53747 41055.83417 1993.791585 81159.70985 79.67008028 228295.0838
Maleic acid 609899.5284 511998.3931 221832.8189 689192.8316 71889.19653 733894.5323 397270.1235 584421.9464 325698.9667 364609.3041 286469.648 196474.0889 112322.4196 103905.2504 211429.8749 79659.74297 125284.4427 109425.443 88205.12983 59548.3613 72420.46786 547859.0697 98301.89553 257701.7453 268518.3888 186513.4678 283347.2961 159119.8198 309949.273 620094.7378 582572.9022 60808.76479 96840.33233 60761.07451 85114.6853 59078.87766 86089.67347 90431.39391 56417.71143 42013.46896
Maleic acid.2 1448296.264 1363816.676 1441818.518 1344843.85 761143.5147 1160888.454 1334946.837 1372890.66 1380985.325 1455562.237 938222.338 1139619.275 652941.3376 1145293.997 1353669.093 494656.474 372377.4872 814415.2569 699607.8431 1064364.635 1140372.914 1088466.908 953044.2791 904061.3512 876937.5084 928411.6472 951554.0905 902948.9083 1262988.216 1344272.195 1513576.439 1049948.578 872339.0702 1238699.238 849265.8534 813936.49 857722.7812 814943.3866 887216.0669 647103.4132
Isocitric acid;Diketogulonic acid;2,3-diketogulonate;(1R,2R)-Isocitric acid;D-threo-Isocitric acid;2,3-Diketo-L-gulonate;D-Glucaro-1,4-lactone 4906168.209 6852224.115 7008828.377 3645228.619 5277556.664 3040185.084 7963591.132 3369089.024 5587498.861 2795149.668 4731462.777 5204439.755 5506508.555 5447775.736 6584605.86 6005109.132 5243966.274 6918977.251 5470826.084 8060835.668 8950744.519 5407751.573 6393269.893 3758209.584 6620360.881 6871942.506 7281392.702 4695895.941 5951294.161 4945567.226 6515956.092 7120988.338 3820505.06 7832714.228 6845609.285 5167078.472 5695979.754 3373017.572 6730122.32 6750015.245
Anserine;Homocarnosine;Balenine 9073.677855 9264.976364 7782.761758 12276.15361 9253.174356 375345.3868 192599.2793 149244.3843 215506.2551 53535.36797 5943.150602 17862.63614 9829.866796 5786.471836 7954.850749 889137.9743 868082.9088 679382.6381 499243.0925 414280.6642 7811.975144 11936.02485 8615.63798 16793.19668 12893.22227 275776.5629 202196.9301 137950.1541 373061.9495 45178.01208 14932.72819 9006.868312 6243.319629 9266.672105 7110.008529 542321.6578 131887.8882 219504.2695 130311.6974 396152.1178
Anserine;Homocarnosine;Balenine.1 33309.53036 117313.7548 24263.33067 214330.6301 61872.95846 313189.6137 530686.3795 533999.5884 548352.4952 696839.0527 280452.4984 249751.351 1370172.066 794886.1935 808864.1576 27051.81064 23575.93678 50314.57926 32104.07478 43776.9194 102717.3901 51164.3817 40538.38338 69845.72252 73755.44039 21451.63275 167297.986 23614.2254 271532.5522 69306.64561 107333.9085 26530.79253 21889.80631 28707.81864 22321.59451 61497.82307 30547.6938 19461.67849 24524.76381 82701.19879
Anserine;Homocarnosine;Balenine.2 276750.8427 272012.4696 211894.2617 141147.8173 93185.54906 388138.6499 603254.4236 332756.6504 481084.859 396479.4992 420733.2565 501090.5701 363049.2921 427270.5753 306630.3382 1646582.036 1459622.44 1250280.481 1276526.653 1077101.313 308344.7112 187289.3053 273650.9434 142820.8394 160915.4925 510453.3525 416214.0791 395829.5055 322201.8509 492501.4575 275706.9167 384216.9065 325077.7905 538347.4823 302504.3856 1077719.09 643356.8387 997932.9119 1321462.525 1647226.637
Indoleacetic acid;5-Hydroxyindoleacetaldehyde;1-Methoxy-1H-indole-3-carboxaldehyde;Hydroxymethyl indol-3-yl ketone 185285.8236 151149.1353 160980.532 400618.218 838605.3931 78793.25365 271391.6231 71743.13388 180028.5704 92519.2453 61091.85611 406102.9213 110618.9064 172797.0823 170646.1804 595085.8139 352117.4603 106861.8322 170185.5313 1006842.678 1775320.428 1826034.163 7680850.696 285002.9577 449899.6296 184951.0691 236283.6094 338447.3575 143312.1363 132385.4217 225719.6853 257614.7636 117431.5789 523933.936 109448.557 98555.24831 172883.9161 116734.9705 112393.6608 255962.1674
Methylmalonic acid;Threonolactone;xi-3-Hydroxy-2-oxobutanoic acid;4-Hydroxy-2-oxobutanoic acid;Erythrono-1,4-lactone;3-methoxy-3-oxopropanoic acid 39246389.69 31437479.89 19278690.35 27804667.88 9851734.943 21821160.39 21491549.29 16295821.97 18532562.32 15449068.3 36241367.38 12045685.25 18386846.22 43170841.26 51251849.15 20960749.03 29536877.93 30425694.27 23264691.12 22779668.33 43825694.06 35747469.19 18659817.23 17843701.64 18582557.56 26799458.16 25028274.29 13891562.22 14241232.77 25247501.95 34937941.07 50129620.3 37289751.38 70072279.89 48364961.37 40694899.87 31196808.63 33416969.29 59050882.8 34269847.95
Methylmalonic acid;3-methoxy-3-oxopropanoic acid;4-Hydroxy-2-oxobutanoic acid;xi-3-Hydroxy-2-oxobutanoic acid;Erythrono-1,4-lactone;Threonolactone 21499.56642 539184.4805 456820.0907 462193.1091 1161.827703 177.3036531 200.7172165 31790.78811 50067.42362 335198.0937 20433.62065 426500.8546 193.3939303 175198.5905 386562.7158 289932.5911 267347.9266 38317.00161 12695.95465 197.777392 198.1524841 16265.44297 199.4601379 34176.91085 32126.27147 430606.8971 438994.3322 110628.6346 672314.3127 137941.0315 197.5715191 31121.11508 249859.4789 199.1981323 262098.9835 80283.56893 404142.3339 11989.00084 201.7301125 22136.11815
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid 1195899.821 3334626.042 806345.5066 1987722.11 8776363.682 655358.4698 513754.9042 333003.9286 231806.0766 181751.894 513250.0306 527964.8715 868986.6095 596822.989 213037.296 1182542.103 1142139.36 1152010.893 1196375.129 1138267.144 397806.7513 493022.0708 459362.8486 151608.7933 268585.9527 382166.5462 289074.0868 388232.5715 333519.4121 151370.2838 456712.8572 820338.2623 96441.07004 448452.6717 679857.8615 224694.6413 134846.3449 146999.9179 429243.8743 157125.5569
Propionic acid;Methyl acetate;Hydroxyacetone;Lactaldehyde;3-Hydroxypropanal;D-Lactaldehyde;Ethyl formate 952892.4131 765659.9019 483355.9691 647405.5995 231179.4775 517284.3836 529598.029 386801.2352 437425.3019 343203.0565 865924.1098 280458.8609 438486.2675 1013929.439 1206196.385 521983.8258 707396.9381 713278.6307 552524.8727 573404.4944 1051499.874 940248.2064 456595.619 468986.4142 441484.7432 666902.5351 626087.1431 343375.4356 342013.7807 626780.6074 857764.5843 1231980.204 892077.4962 1697400.792 1171087.042 959938.6523 738273.7025 835890.8907 1426250.76 801385.7884
Sorbitol;Mannitol;Galactitol;L-Iditol 467221.5672 404454.7152 360014.2851 446511.0682 298826.8739 614099.38 514285.5399 570191.2178 549672.0029 509469.5559 320545.3871 392203.45 526093.5326 326084.2705 347274.1322 408698.7673 404209.2965 394069.0202 408542.8555 315666.1288 643581.4305 793492.1141 587880.6556 565005.7482 651218.2225 644933.7632 657128.2912 618289.3438 757387.6662 817152.7551 874023.2767 1192738.773 574386.7348 1361690.312 582707.631 598438.4723 555069.7614 679445.7189 880298.6518 772266.9775
Pyrophosphate 7149796.253 8197293.212 4465410.764 5628984.392 1748805.479 5591032.145 7673847.106 5265817.319 5807967.175 4793155.805 5213420.088 8804901.151 4757190.768 8071153.751 8027095.461 7415673.669 4496856.349 6242612.996 3465645.427 6500247.244 7433946.699 6369618.965 3622314.211 4715462.38 5668918.556 5283414.362 6178741.028 3764459.16 7024709.489 8498779.882 7119697.19 5574218.486 3584748.255 11034895.25 3274945.36 3617472.834 3476950.934 3988973.885 9314994.708 7145799.454
Serotonin;Cotinine 187010.448 217037.6656 205938.4696 46241.65633 216485.7653 165458.118 96360.17886 194310.519 175981.9828 127050.0783 144684.6763 370678.835 167427.9846 42536.95317 167378.2773 338040.6876 612367.2476 90031.63633 283123.0666 416607.3886 2173224.902 1802927.343 5204994.505 364427.3262 142307.0006 183384.4617 279157.9517 229254.5584 216215.5081 142890.7475 407111.9927 260145.9289 129743.0038 639580.6283 93566.08361 85957.25622 60503.52026 142886.0939 128002.3928 175614.7491
Serotonin;Cotinine.2 512136.3717 523127.8995 489611.5712 1335135.132 1591648.628 343790.304 692623.5578 376373.9938 393042.9228 260636.1022 341827.1611 950799.1281 286089.41 395773.8302 685382.1335 1052171.883 715861.5681 290924.8756 356123.6451 2650309.809 2319889.429 2837977.464 13696154.4 680483.6122 610516.1462 465005.0668 520628.2142 817087.9335 377501.8253 348355.8979 704860.2888 528875.261 532142.1211 1398816.758 327830.7948 205572.6317 347110.0964 311749.9829 338986.6946 478821.7777
Tyramine;2-Hydroxyphenethylamine;m-Tyramine;2-Acetyl-1-ethylpyrrole;(±)-2-(2-Furanyl)pyrrolidine;1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one;Tyraminium;Dimethylaniline-N-oxide;Phenylethanolaminium;4-Hydroxy-2,6-dimethylaniline 2864356.982 2471423.609 1679413.671 1955451.084 1988137.485 1399368.823 1036652.1 842513.5158 1066254.838 931808.6323 779938.3106 1284879.889 819992.3962 1292404.555 810840.9778 1356308.799 777022.852 811767.7851 766425.0604 1040247.852 1344187.901 785961.7092 1047041.074 925584.5907 868530.4356 1432911.537 1194372.278 1617974.523 1325288.28 1145505.97 1078939.383 989082.703 1138261.335 1490389.112 642852.2965 580228.1377 819904.1466 1084899.533 1021149.451 1153923.23
Tyramine;2-Hydroxyphenethylamine;m-Tyramine;1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one;(±)-2-(2-Furanyl)pyrrolidine;2-Acetyl-1-ethylpyrrole;4-Hydroxy-2,6-dimethylaniline;Phenylethanolaminium;Dimethylaniline-N-oxide;Tyraminium 870358.7442 798891.289 674254.3328 720133.4837 772706.1982 737159.083 886449.9085 951109.3277 957940.1301 892119.7197 927296.1331 938685.86 1033086.14 1117856.249 856836.8236 811577.9866 758261.1092 876069.2361 834115.3392 888316.7278 974529.4221 787930.3654 672309.8999 878727.3845 848224.0041 924791.3367 930499.8483 910417.3921 1037915.107 972740.2941 704978.0945 732038.9611 825428.9162 788896.8077 833791.3934 734128.8761 865990.4699 814776.3007 858182.552 797373.755
3-Amino-2-piperidone;N-Mononitrosopiperazine 1209045.634 1221172.21 1052115.703 1681516.571 1124017.945 1022948.453 917124.484 1834536.675 1692901.837 2111522.475 513966.7715 580038.8801 867275.8832 500834.2426 465398.0225 481701.5155 661419.3181 505663.623 578087.2007 492475.5558 554656.3526 1637227.279 1504539.759 1336260.16 2090548.004 1044296.22 1244028.562 1537731.706 1353309.815 1292522.865 1753994.652 787538.5376 591479.0627 672890.7653 754037.3841 650637.2532 675253.0013 662289.4394 798031.1909 764069.3498
3-Hydroxybutyric acid;2-Hydroxybutyric acid;(R)-3-Hydroxybutyric acid;4-Hydroxybutyric acid;(S)-3-Hydroxyisobutyric acid;Alpha-Hydroxyisobutyric acid;(R)-3-Hydroxyisobutyric acid;(S)-3-Hydroxybutyric acid;Ethoxyacetic acid;3-hydroxy-2-methylpropanoic acid;2-Methyl-3-hydroxypropanoate;3-hydroxy-2-isobutyrate 3737628.441 6322010.68 2802694.642 2087185.03 1001273.665 2400172.319 2905927.387 1904253.104 2404726.01 2352424.015 3369588.707 4058195.094 2928694.11 4733169.85 2650310.196 2108711.27 2204120.152 3904386.569 2529946.786 1973959.575 4341285.35 3890450.639 1739327.029 2260960.492 2328251.637 3522289.696 3036648.034 3896874.736 2485666.102 3485663.953 2868784.89 7816110.341 4610790.542 8373512.228 2252978.248 1594991.732 2129672.89 2211621.422 4491491.951 2378804.821
3-Hydroxybutyric acid;2-Hydroxybutyric acid;(R)-3-Hydroxybutyric acid;4-Hydroxybutyric acid;(S)-3-Hydroxyisobutyric acid;Alpha-Hydroxyisobutyric acid;(R)-3-Hydroxyisobutyric acid;(S)-3-Hydroxybutyric acid;Ethoxyacetic acid;3-hydroxy-2-methylpropanoic acid;3-hydroxy-2-isobutyrate;2-Methyl-3-hydroxypropanoate 875549.5244 760645.3813 429480.8159 618987.9561 196101.5459 920455.468 851459.8894 619139.6231 720312.9929 682235.6363 347159.4017 391310.4301 361258.0676 494205.7451 423443.7758 1948305.468 870236.1591 813078.0068 506946.9758 206026.2297 507100.772 2247940.862 451575.2663 836958.0064 2099094.872 1978968.976 2265875.893 2621372.859 889559.2464 1044212.478 524569.4474 3307412.972 628015.2787 1886590.777 625690.2049 572786.5292 231977.0352 691228.9415 759249.8582 1809469.611
3-Hydroxybutyric acid;2-Hydroxybutyric acid;(R)-3-Hydroxybutyric acid;4-Hydroxybutyric acid;(S)-3-Hydroxyisobutyric acid;Alpha-Hydroxyisobutyric acid;(R)-3-Hydroxyisobutyric acid;(S)-3-Hydroxybutyric acid;Ethoxyacetic acid;3-hydroxy-2-methylpropanoic acid;3-hydroxy-2-isobutyrate;2-Methyl-3-hydroxypropanoate.2 1694019.068 668983.2095 2145796.333 845896.7761 478533.6359 1279971.151 1745225.015 1411631.104 1523627.159 1662158.69 580280.9882 2684189.093 1549909.925 3237489.22 2142145.124 635019.56 650235.4472 548953.9843 650740.0004 831451.8937 3296301.122 1811612.305 565201.697 992563.3925 710569.4657 1702110.093 1630496.496 590807.0883 1304655.743 1698276.31 1732188.195 3259129.851 561412.6323 5409596.323 1038572.899 444433.4469 893260.6465 782000.9944 2541856.563 1129321.416
2-Methylcitric acid;(R)-lipoic acid;(S)-lipoic acid;Homocitric acid;3-(Carboxymethyl)-3-hydroxypentanedioic acid;Methylisocitric acid 1468374.045 1392031.087 1485825.641 1575717.544 528579.5777 1898874.039 1561599.182 2985067.48 2669969.718 3226301.039 515278.9217 438517.4501 919789.4066 963556.2519 1303947.236 618651.7752 453446.496 810785.9417 607956.1811 763296.407 795087.2368 1100437.548 516873.4603 1111651.321 1439327.559 771412.8975 1142527.564 709455.2876 1664484.534 1840505.798 1203820.555 1623496.311 491293.2727 1100306.255 535686.4798 539635.6208 575828.7414 825943.3812 1316267.523 521391.0062
Adipic acid;Methylglutaric acid;2-Methylglutaric acid;Dimethyl succinate;4-Ethoxy-4-oxobutanoic acid;Solerol;Monomethyl glutaric acid;2,2-Dimethylsuccinic acid;(S)-2-Aceto-2-hydroxybutanoic acid 59018.76776 68687.54495 20902.19021 114425.6772 44411.12788 239887.1136 111097.9618 76387.09789 151051.3918 65084.50212 71106.22484 55835.4883 122223.0532 24909.09437 17126.67775 482504.219 986899.4395 74252.57235 224135.4952 31401.56287 27975.98061 283048.2723 153677.6564 85917.54861 508435.026 142771.696 228911.8209 184415.8807 104976.1056 374304.2843 63230.6299 12284.67085 67550.3306 14699.84394 3909.259487 58408.53893 62306.96654 67685.72689 57510.75954 67656.35969
Adipic acid;Methylglutaric acid;2-Methylglutaric acid;Dimethyl succinate;4-Ethoxy-4-oxobutanoic acid;Solerol;Monomethyl glutaric acid;2,2-Dimethylsuccinic acid;(S)-2-Aceto-2-hydroxybutanoic acid.2 312654.3139 246389.5042 169125.3651 314536.072 367580.7881 219537.121 287043.5668 170619.9279 403283.6521 259327.3314 140858.5554 142618.7307 114285.23 152623.7448 108523.3948 250059.8354 264494.6597 209125.8485 187348.662 129328.5922 322899.807 410831.1389 380512.4156 296205.6806 434886.373 461837.8486 633516.0893 630770.3487 415769.116 492116.5828 424097.0894 379554.1764 225069.0622 462653.1977 195511.256 191471.4544 162905.7 261945.6063 299685.4025 477150.4442
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Ethyl hydrogen fumarate;Maleic acid homopolymer;Dimethyl fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone 1059675.584 1228347.6 979776.3264 1181005.152 839478.4543 1102304.341 1145049.132 1114227.453 1121158.412 1074321.034 1139431.109 1220572.477 1252315.418 1234712.877 1090065.761 1109580.782 1412252.511 1217392.265 1245809.59 1089477.229 1126070.775 1286634.043 1314435.411 931504.6069 1071802.273 980254.8561 1068975.513 1015827.893 1141998.079 1149035.334 1259570.891 1039174.576 933773.5051 1278431.481 932132.4969 945936.1395 993431.0796 1091641.835 1070609.305 942641.2304
Adenylsuccinic acid;N(6)-(1,2-dicarboxyethyl)AMP 2493931.24 2276171.724 2211060.937 1046488.937 257869.9813 2767112.821 4000535.326 2561679.123 3792107.652 4045006.307 2216483.343 5546794.582 2904291.913 2182067.306 2142080.973 6323694.399 4253159.288 5423772.4 6526038.955 4870673.059 1693336.919 1899259.554 1865501.33 3073412.223 2252189.562 2236779.113 3154032.35 3530431.773 3075344.501 3061934.209 2207725.721 2798335.944 1973166.305 3038257.253 2075905.466 1658280.685 2036785.585 2028331 4474884.011 3566958.998
8-Hydroxyadenine;2-Hydroxyadenine 578792.8486 618996.2694 572532.1635 551633.1173 109539.9557 728776.8784 779866.003 703542.0196 703110.4545 688548.2363 348464.8028 503720.6272 384716.5139 387945.7471 403912.1463 481856.2914 501707.0553 513364.9046 565348.244 386307.9634 354116.3386 564761.9145 417641.8785 458434.0352 598654.4807 580462.178 612616.886 678334.1001 721958.4085 728129.0168 579977.9109 406450.2113 326223.2714 508438.7593 315124.2949 323441.8693 257111.503 326492.3771 486737.397 409396.1867
8-Hydroxyadenine;2-Hydroxyadenine.2 649296.1091 966659.4158 373145.8276 612332.4973 83513.10766 748345.9814 614468.0622 663286.2581 695041.1516 297200.4531 404661.9667 502147.67 141361.3708 466185.8259 409169.8043 422517.1203 429275.6761 267595.0976 326446.6369 352256.9394 817225.7877 1023398.124 553520.3995 1159885.094 721697.5194 622594.5076 1609263.146 788997.3845 1067361.282 1636262.635 1464480.293 456871.5264 503431.304 930061.5931 245580.3433 487526.2052 454726.4413 503861.3458 827533.3239 932738.434
L-Alloisoleucine;L-Norleucine;Beta-Leucine;Aminocaproic acid;1-Nitrohexane;(±)-erythro-Isoleucine;N-methylvaline;6-Deoxyfagomine;3-Aminocaproic acid;D-Leucine;N-(2-Hydroxyethyl)-morpholine;3,3,5-triiodo-L-thyronine-beta-D-glucuronoside 219535.9398 235069.7516 210218.3897 126491.7561 105775.1753 2863601.054 1841593.256 1615570.677 2062614.042 415584.5192 189255.234 241593.1078 228969.1769 219980.2923 215357.1322 2469653.241 1981375.689 2108706.66 1253110.175 1469854.125 215565.619 221169.7251 147168.5787 228047.4729 253439.5154 1360688.024 2219110.895 1105793.059 1663836.737 1235041.681 311602.7422 387137.1415 186534.7348 297086.5396 262683.4647 1464688.22 803037.0985 1021314.274 1047568.699 1320572.859
L-Alloisoleucine;L-Norleucine;Beta-Leucine;Aminocaproic acid;1-Nitrohexane;(±)-erythro-Isoleucine;N-methylvaline;6-Deoxyfagomine;3-Aminocaproic acid;D-Leucine;N-(2-Hydroxyethyl)-morpholine;3,3,5-triiodo-L-thyronine-beta-D-glucuronoside.2 78161.33497 64428.83736 407649.4663 386703.8531 410078.9616 2704560.945 1748182.502 1446527.779 1853033.545 318252.0807 82304.03788 76611.13175 121326.0976 58277.43075 65436.68865 2671266.604 2293411.05 2617598.103 947017.4753 1418619.376 93553.43408 73655.49444 70276.93923 552342.7883 29404.09518 987332.9697 2345377.604 787176.1508 1299389.234 704880.5792 123343.3737 87352.91331 460782.3578 149557.4786 52973.64646 1580884.206 587496.5907 814770.6026 770509.3899 909785.3167
2-Furoic acid;3-Furoic acid;3-Hydroxy-2H-pyran-2-one;2,3-Dihydroxy-2,4-cyclopentadien-1-one 2803733.522 2825269.305 2456080.546 2074881.26 2771847.606 3247512.415 2115880.601 1726414.635 1940128.852 1231258.557 2126825.795 580103.8515 1089334.815 1732098.688 1466975.48 819052.4777 1135963.74 1190073.238 1112036.882 843334.8271 2564465.515 1969568.458 2356310.826 2004153.692 1880050.338 1884984.083 2038649.874 2358765.293 3803709.413 3235653.331 3721913.451 4855218.149 2847690.245 4750227.9 2315719.439 2454257.942 2511903.007 3712601.548 3790548.029 5955279.459
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;2,5-Dioxopentanoate;Mesaconic acid;2-Hydroxyglutaric acid lactone;Gamma-delta-Dioxovaleric acid 3177032.405 3972015.874 4018364.057 2509639.866 3407828.757 2030579.488 3807812.94 2365221.278 3448097.278 2120942.738 3062796.8 2879437.238 3108982.953 3233681.806 3389842.566 4071159.121 2964609.936 4258258.498 3903108.003 4053472.398 5311146.951 3064185.053 3759560.214 2487578.005 4003045.867 4106044.028 4341233.998 2852055.72 3425989.205 3128060.229 3980171.313 4416694.597 2706468.737 5119595.065 4125982.753 3406289.449 3692150.444 2408681.416 4401273.103 4385190.147
Decanoylcarnitine;O-decanoyl-L-carnitine 4663139.3 2557690.014 2236342.939 2562767.058 425713.2221 3649056.926 1189032.778 599920.5247 176584.6583 178356.313 1812284.885 2222375.335 53149.64269 464536.0348 1127056.252 1148051.35 908360.875 5165943.305 1577350.504 1039262.963 3533198.526 2745138.202 743564.8232 346666.322 513706.6628 1257360.569 466986.3828 258411.8588 1373975.875 640475.0491 964985.2971 1027234.144 367788.8531 4553761.446 432434.5628 1865071.415 931492.8711 902004.4374 891892.9609 1570863.318
Cysteineglutathione disulfide 205247.1957 371125.8434 375047.8086 362996.6696 623153.9302 396820.7255 863708.9327 595348.3058 967720.8819 391178.8855 316556.0741 412571.8638 465823.9532 603458.7563 435829.977 591745.4799 245848.7567 347218.0236 279118.5927 722913.8222 650197.1735 516053.6667 759007.3402 491506.7005 881496.8676 743206.8052 785333.078 835479.8338 899026.0877 758073.8996 890211.5567 901601.1061 881426.1608 964347.9833 1035462.571 984385.8796 1332915.494 846216.7847 1341719.792 1163603.293
Glucaric acid;Galactaric acid;D-Glucaric acid 1703711.331 2334923.78 2539942.234 1446273.156 2008949.663 969287.4299 2414785.687 1155578.01 1683268.419 940665.4435 1805081.986 1567035.391 1816042.008 1906631.548 1967625.992 2324989.32 1617591.205 2346587.247 2209308.819 2374661.609 3156891.243 1840821.341 2416210.672 1239986.144 2397301.781 2443450.324 2655354.71 1666367.942 2108212.829 1890044.566 2465976.192 2596691.748 1333315.531 2872505.768 2327647.42 2055747.121 2188441.987 1288350.996 2415448.195 2461010.573
Homo-L-arginine;L-Targinine 1674632.917 1582217.273 1173333.294 1772886.947 741422.9919 1281075.593 1333589.812 992015.3473 1062235.165 1370032.864 1677663.98 1995340.062 1624421.646 1772166.983 1805107.015 1564293.14 1735944.692 1405914.647 1724751.844 1356353.886 1421316.132 1873845.84 1281484.987 1216398.931 1260339.262 1304868.476 1549722.279 1663544.696 1167607.897 1480176.543 1663799.212 2087863.762 1249810.58 2507237.713 1438815.324 1279601.265 1389119.325 1194374.687 2159569.79 1817346.331
Homo-L-arginine;L-Targinine.2 1783703.525 1699607.95 1553134.758 2184671.759 655048.5625 1405589.616 1120628.078 1234433.664 1079882.488 2323881.77 1920764.578 3332933.766 2514685.394 1613491.805 2621021.963 1582102.836 1245159.231 1430977.412 2241134.909 1060603.549 1332883.815 1817424.477 1858028.6 1213210.659 1691631.174 1064942.717 1485127.389 1167980.414 1179045.93 1305846.934 1676161.582 1650469.69 1572501.894 1649952.238 1591195.185 922780.3088 1265586.616 1332775.841 1102731.391 861430.7173
Isovalerylglycine;2-Methylbutyrylglycine;3-Dehydrocarnitine;N-Acetylvaline;Valerylglycine;5-Acetamidovalerate;Betonicine;Calystegin A3;Calystegine A7;Calystegine A6;Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate;Turicine;Medicanine;4-Hydroxystachydrine 1843463.858 1908889.168 1730465.154 1384201.162 526119.2092 2049742.419 2700465.55 1293314.321 1634325.922 2053821.509 1957880.809 2261552.314 1909218.556 2093285.732 2431289.216 3222935.742 2747516.297 2730482.949 3071194.988 2200286.592 2128365.7 2302578.322 2003294.388 1962050.832 2203479.658 2676660.744 3411787.761 2843703.191 2421113.379 2624267.48 2498028.87 3503659.256 1834159.003 3610372.844 2005987.037 2668343.388 2368400.847 2487896.115 3396824.023 3349799.211
Glycylproline;Prolylglycine 2036451.957 2205883.236 1620253.756 2161017.364 973934.6216 1964074.444 2122585.098 1971179.76 2175382.045 2176226.383 1917562.325 1907279.09 2155200.35 2138717.821 1860074.022 2413944.694 2020410.176 2103549.841 1888399.252 2259579.731 1850095.418 2380902.116 1701199.73 1892979.888 1994299.635 2487057.623 2094264.563 2357568.431 2506138.884 2729355.621 2472852.01 2283516.02 1436991.287 2337677.284 1980862.674 1773800.025 1994789.933 2134310.447 2362054.418 2044488.004
Hydroxykynurenine;L-3-Hydroxykynurenine;Stavudine;5-Hydroxykynurenine;L-Nicotianine 8746.773189 7489.445934 57138.57894 44022.9569 825078.9076 5444.251065 13801.12888 7139.071936 9792.526993 5472.260528 5555.447017 24297.51245 20061.24424 30957.24937 17033.3531 27614.41521 28968.64302 5335.854143 4692.217332 34297.31864 35351.37943 69415.61289 295162.8606 18664.03655 9408.833933 15083.50593 5162.103141 12910.91306 7477.619837 6372.167465 5697.430642 37952.21909 9696.774668 51571.06997 25761.13003 11536.69581 17891.29444 11244.42524 51426.10272 23267.4359
Indoleacrylic acid;N-(2,5-Dihydroxyphenyl)pyridinium(1+) 13698297.77 10431118.27 11870131.65 12436128.58 11487683.59 12483858.03 11627762.26 12138008.6 13708897.25 13906854.25 7433831.47 8037139.651 8463524.55 10100879.32 9207384.668 6565753.831 6197787.021 6959508.653 4533216.613 5043987.188 8991837.862 10214415.29 9003778.568 7203628.846 9184627.01 7394485.85 9940029.716 10073141 11892008.97 12798906.27 11727468.24 12468567.32 6111472.049 8340532.817 8904591.264 5494919.427 6021994.975 8604053.057 8159327.728 5722006.089
Azelaic acid;Nonate;2,4-Dimethylpimelic acid;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate;3-Methylsuberic acid;(+/-)-Methyl 5-acetoxyhexanoate;Diethyl glutarate;Diethyl methylsuccinate;Butyl ethyl malonate 245585.7844 175623.5822 45408.97281 211794.0785 157922.381 158742.5775 287476.6513 180416.6639 207427.7208 61861.30088 116849.5159 252282.0766 162557.9095 180864.8866 104523.7684 71703.57467 60300.68992 119269.98 123272.3512 166713.7984 303333.9911 59972.4941 154550.5222 54524.03032 66043.69751 131376.6623 124786.6632 535848.2917 471135.1369 478872.4222 659455.306 253311.8878 341228.0032 146889.3061 203162.3042 164781.7299 235483.7979 208985.2641 308681.2559 283548.1317
Orotidine 688590.6288 584269.6797 617696.4866 641412.3405 753204.2351 575848.982 566823.9786 739111.3825 736366.6048 891667.7715 450215.4938 524129.2594 482775.4734 416761.5464 465702.4898 590370.0251 565729.0406 502597.687 488121.4331 672091.9069 444304.1048 459666.7373 967618.2869 439242.3882 398916.2163 339755.3478 446139.7047 481704.593 384921.5334 452978.3168 397952.6889 474305.1294 295169.744 539105.5877 397975.2269 352319.481 306759.6424 323917.6618 448289.9065 413626.4939
L-Octanoylcarnitine 1106132.284 240964.8036 755446.4841 1028828.364 219615.9751 1083217.109 1062543.869 217300.207 297734.9672 367889.2975 1070235.398 924331.8523 139120.9268 836557.9184 803350.3355 256435.9434 305344.865 640793.8637 150080.0609 986255.1692 304816.916 1806303.618 190815.5564 536316.0937 192923.1344 871421.831 753602.5081 486133.3518 502238.1748 156442.8119 210875.2539 281182.6927 639033.0893 2237888.586 567079.0382 244771.2551 210597.8344 360082.006 245359.5159 1165136.166
L-Octanoylcarnitine.2 9780058.349 11329004.35 7148210.114 6151792.581 1475730.355 6642290.691 5919637.178 2245756.162 2044943.359 2761741.898 8337633.8 6292214.607 907500.4897 5124354.929 6376424.492 9004613.653 8987153.096 15182242.14 7914963.431 5741317.233 12993754.42 9840297.321 6062900.095 3205023.537 5676417.16 8129633.995 4403316.631 2990817.133 6951721.88 6514357.955 9084638.053 10712670.2 3676938.464 15463328.61 3211052.92 10116551.12 5891606.262 7297951.185 6734567.205 8815727.91
Monoiodothyronine 684088.4619 735600.2194 694068.3668 609686.6942 1475506.183 686527.7318 743738.8052 704297.811 829079.6181 659393.1911 599862.5698 747294.2103 1294125.835 749121.3764 1039986.788 1466457.684 1088152.28 1193228.032 764218.2283 611316.8599 690315.9097 782563.0745 857055.8288 990888.789 978363.8684 746010.0859 694011.0705 887942.4622 882519.0957 595312.2523 666549.0823 1342593.371 1443037.553 1260912.708 894001.849 749852.8415 739233.029 1028620.577 924508.661 1026508.333
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;(S)-5-Amino-3-oxohexanoate;2-Keto-6-aminocaproate;(S)-2-amino-6-oxohexanoate;N-(2-Carboxymethyl)-morpholine 530023.8504 561311.7645 472451.3779 736299.0868 382973.352 542004.2559 524712.0869 624163.6134 564703.5577 369126.0236 51655.22581 33883.73122 21202.97948 26579.64302 27221.46802 60845.4694 53762.88502 39554.07311 39887.64321 26235.18938 49323.99816 532193.5476 479529.3416 327594.0775 436377.0639 587523.4573 576879.1631 520892.8494 614997.0674 483131.5731 608852.9875 33356.90068 48435.30351 25656.68623 44279.99004 56659.53609 52491.71753 61022.03966 19811.38262 35209.18873
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;(S)-5-Amino-3-oxohexanoate;2-Keto-6-aminocaproate;(S)-2-amino-6-oxohexanoate;N-(2-Carboxymethyl)-morpholine.2 233299.7463 190405.3135 116573.6486 444072.716 141154.1502 1044941.744 527135.4125 564968.8113 903304.7463 510448.031 742070.6928 457868.2485 943378.9708 175043.4539 233020.33 3404786.491 4285067.285 544598.1542 1171983.796 306959.3452 232306.2647 931318.971 587042.2374 567946.8359 1689320.625 677314.1981 1042642.257 840648.9647 578408.1518 1090296.788 77712.85906 110882.6877 46496.41339 129557.0457 77616.79467 117494.8468 46801.95765 70453.53216 67530.47747 109882.6701
Phosphoglycolic acid 307140.6554 333755.269 381615.5769 289843.712 94541.4622 323011.7693 570331.8007 227448.3645 515350.5565 334200.6885 330932.1381 174600.2446 497238.7322 358351.3913 347377.3964 459157.4384 472537.6616 543613.5712 814494.0276 382960.0546 195528.9917 284292.2397 281866.4055 94183.25928 329855.9367 341230.4019 237097.1894 333627.6735 243951.6474 211977.8906 138152.6042 189264.6685 54665.40823 201046.467 227391.7145 93501.87911 95368.41359 85777.34273 109569.3777 55252.22192
N-Glycolylneuraminic acid;NeuNGc 239843.0596 255664.9864 310145.6555 232284.1203 193950.8193 657147.1101 755292.0431 615152.2951 796674.187 1506745.874 417834.415 540721.3928 460820.6341 455247.7713 446199.1284 1320741.949 1021787.461 1203031.353 1098873.506 1293734.657 635537.8352 561666.7337 439658.5822 392664.0491 428608.262 830625.2434 611983.8744 537974.7783 1024796.689 533237.2472 337165.1352 391463.0082 236182.2618 614573.6395 580540.3907 767516.7499 783259.979 974953.6223 968314.8047 1006902.606
Histamine;Betazole;Histamium 121794.5788 98839.02993 453479.3924 54383.22991 214877.6478 46822.8746 227297.9409 177021.9405 807156.6667 25823.2478 139098.5495 88957.41967 22853.75986 84452.50757 144603.4825 520890.0012 94936.2148 132276.7727 3015979.768 1976693.399 65994.53084 114009.6256 80434.8077 1185704.25 108648.9608 205962.1878 1299934.398 123664.9846 119044.945 1194728.353 1319857.03 131210.7662 139602.5843 933689.6016 92431.11867 1687246.502 152007.3207 157753.9082 3001202.2 143726.3719
Histamine;Betazole;Histamium.2 3542061.448 2984577.018 425353.9528 1266785.422 3829902.42 1222328.418 3837227.701 1842287.061 2543064.339 3311118.347 2911208.564 2524655.897 2489519.37 2977068.01 3142543.263 1949344.762 1633471.616 2528563.341 4669389.077 3105699.71 3321120.162 1557405.323 3486005.569 3374151.607 2814638.377 3752114.863 3793254.336 2935754.095 2597300.6 1551518.141 2267572.415 2769096.777 2674344.317 3668462.599 3683208.184 3119763.474 3051761.19 5129577.823 5656351.76 4018438.509
1-Methylhistamine;3-Methylhistamine;N(tele)-methylhistaminium;N-Methylhistamine 723223.3869 806951.5559 600556.0744 501411.4439 778260.9193 429705.6017 983839.1455 389150.4735 795228.2045 870650.4698 1037266.47 998304.8803 641406.5354 641970.5945 1549996.647 1500155.298 756719.866 1161380.754 1313159.841 1317803.585 1635923.161 983546.1587 2906711.097 1339489.626 1044763.535 1406014.591 1128288.851 901101.0172 1147360.263 1161161.944 1707345.207 1881677.997 1690498.032 3237036.142 1351817.406 576012.9566 1020397.982 1337366.67 2449798.814 2292782.51
Succinyladenosine 1917290.31 1974712.508 1045291.761 993313.4307 215768.7458 1944839.04 2134014.681 1423212.222 2028110.785 1566181.581 2263043.719 3300754.499 624937.1555 2211491.438 1900099.175 4009618.176 2476362.482 2098142.54 2789289.599 2626057.678 3149552.867 2024938.951 1600045.617 3502616.545 2102174.189 1833151.408 3446674.849 2605366.779 3006157.385 4187693.347 2813894.647 2646144.532 2336449.54 4719273.237 1454197.27 1959967.958 2262958.186 3276042.406 5136042.519 5601707.971
Trimethylamine N-oxide;1-Amino-propan-2-ol;2-(methylamino)ethan-1-ol;3-aminopropan-1-ol 1197804.57 1492655.518 843961.4066 1092194.019 1293061.949 680978.9428 453789.5007 648605.7986 901082.8329 1003875.156 1757698.553 1221038.393 1319164.158 2534736.813 1797176.799 519729.6819 539267.6675 552605.4105 451312.5471 491632.1388 320647.4267 238212.104 286218.4687 140779.4092 343330.9605 131084.6071 216060.1727 94885.82017 91034.81356 153868.8126 288892.1135 190786.024 186260.4342 206729.0885 275346.3883 90254.1849 107527.7526 85781.19205 79571.65491 164446.303
Threonic acid;Erythronic acid;L-threonic Acid 695167.6047 6766667.942 9268308.364 10943675.25 10188376.33 1762733.446 7578173.543 7052380.701 7424820.51 2320722.874 501232.9192 1579714.632 8620834.312 7847083.2 7548872.113 11246785.86 11017853.76 7848280.717 6848330.267 7436080.149 7609754.569 8657577.545 8215347.994 438524.7712 10314379.14 6422414.166 4720227.105 11881408.95 5840951.246 8491606.853 6213138.396 728038.1044 6133422.801 8444005.805 6992154.078 5247976.892 5567752.073 441398.9709 9932488.259 2535893.538
Threonic acid;Erythronic acid;L-threonic Acid.2 29645786.22 20319791.98 24669145.76 21701196.63 20996440.16 28176205.37 19955888.56 21586419.08 18581354.47 22675847.32 27464446.92 23731973.62 19128537.35 19560798.46 21952963.43 16393865.97 18223366.6 15962625.42 12510776.42 14997927.98 17180433.58 22092207.55 19660526.07 19027195.63 16805371.96 17959254.06 13951423.72 14287502.36 18522618.86 15572516.12 19915587.97 29162579.8 12514590.46 21348425.56 18118753.05 12593487.05 14126660.47 16244317.62 21119144.79 24076623.7
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-) 240101.0575 308222.111 123583.6422 775672.487 36642.41754 114136.7265 38568.29965 35515.95221 50277.69328 45167.85369 183542.904 38827.74608 34259.20869 32876.35832 164667 109178.5284 171608.9796 160035.8006 52600.33607 81420.47496 158269.5235 101267.9554 101922.4984 124340.9211 88212.42771 94240.93612 87028.36454 157967.7599 225583.1823 120035.5533 46925.92169 34216.62833 103894.72 139569.7156 182348.1263 17005.58886 83796.69698 98948.10324 145720.7376 30270.87695
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-).2 446074.6066 360061.1754 271476.3813 378299.1515 248576.3303 398135.1228 431719.6712 283664.4913 282747.7636 385781.0649 493034.4626 615034.994 224064.7325 420428.1599 308134.1156 698379.5392 551213.3722 409435.254 453764.6368 368021.4335 480910.3946 436823.0605 331125.3076 421912.1188 322515.857 372664.3833 536712.4406 413544.0986 325971.7034 407560.4534 511079.915 738003.5104 646101.8586 746871.3929 523193.09 531793.313 428605.5985 582950.2348 644750.0271 562406.1095
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-).3 2168127.343 2119089.749 2020576.252 2294124.044 455929.25 2536173.858 3415967.739 2199682.865 2429466.992 2318388.553 1523892.971 1955417.724 1989905.642 2053145.691 1646845.141 1619420.769 1565292.972 1616818.349 1851699.319 1743631.496 2099348.508 2523285.224 2129126.64 2121982.122 2257817.975 3202736.908 2948465.849 2275326.648 2195670.795 2195309.464 2445311.305 2007572.832 1638729.599 2763612.687 1656458.33 1695009.377 1507845.983 1544688.768 1374926.721 1481757.535
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-).4 2899524.309 2772656.921 2042014.94 4917488.819 532654.6262 2947144.11 2522246.115 1814240.334 1189934.757 2010649.909 1486534.4 3224946.106 1760951.853 1698201.134 2066585.802 1908054.481 1844976.123 2157331.963 2332836.186 1534538.48 2904345.25 3952355.359 2835454.554 2453881.052 2360218.1 3490957.675 2530464.471 2758713.357 4460397.183 4303323.324 2894848.32 2287938.075 900068.8109 4031651.867 2613443.61 1193960.083 828779.3583 1217570.574 2850803.096 1941292.951
DL-2-Aminooctanoic acid;Pregabalin;Methacholine;Propionylcholine 86266024.19 83361672.44 49703262.87 108348138.8 48048776.99 54982994.91 72615852.51 46814498.15 59811646.26 63067817.24 104514516.5 79577218.31 114429806 108068601.8 99001814.84 79389260.68 50330517.04 57486543.81 78746132.36 47387315.81 78552186.6 75547771.4 61723774.4 58311059.66 74086875.92 66112860.59 97097233.86 58850360.32 48042080 55031694.63 85895510.65 109672206.6 69743706.91 88046400.82 73228997.46 62468346.01 55967905.82 43012972.27 45646572.02 58525482.21
gamma-Glutamylcysteine;Glutamylcysteine;Cysteinyl-Glutamate 878540.1682 900602.6271 614119.7703 936318.5806 379964.0648 1031395.311 910430.165 1076279.496 1054408.469 892568.6831 325156.8361 315745.8187 335809.7117 424833.6998 375475.5929 276390.5103 316925.5308 279188.5929 235654.6615 251523.9706 247439.5568 789392.4779 470524.5963 915809.5426 925987.195 606483.8759 1105640.763 677423.3242 938586.3158 1163281.513 795017.4708 283240.4594 302784.6792 175850.2925 260535.538 283324.0685 311418.0984 427677.4524 249550.2187 332069.2346
D-1-Piperideine-2-carboxylic acid;(±)-4-Methylene-2-pyrrolidinecarboxylic acid;1-piperideine-2-carboxylate;(S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate;(S)-2,3,4,5-tetrahydropyridine-2-carboxylate;1-piperideine-6-carboxylate 42014.50417 56454.12581 56618.23144 97656.81961 87955.95023 261694.9203 120309.7183 124533.0411 269765.7277 160612.2992 237710.4804 132348.2349 267984.2006 120484.5438 104866.6606 668052.7412 926537.1222 191311.2594 276854.8462 89601.03636 88722.37833 192128.9297 174962.0419 131155.045 413026.255 190475.5789 244107.704 212843.1608 180690.8987 280106.5107 70591.32871 76262.77676 71047.52586 72337.14791 38726.47901 57358.59522 50347.0801 25245.23121 74192.30603 44242.75604
2-Aminobenzoic acid;Trigonelline;p-Aminobenzoic acid;3-Pyridylacetic acid;Salicylamide;m-Aminobenzoic acid;Methyl nicotinate;2-Pyridylacetic acid 1769721.358 2092215.235 1472549.181 2285003.505 1187658.616 1859013.809 1699016.823 1574423.375 1872735.232 1870531.351 819189.2402 977199.3578 1083632.803 1247127.774 1222184.036 847320.5638 1103380.825 987243.6219 1176825.189 935081.4746 1071754.003 1750890.632 1351910.457 1242578.584 1673234.216 1343055.203 1913110.936 1943800.661 1812859.33 1967427.925 2458555.255 1182085.762 585667.2825 1135965.601 992563.5334 754086.5485 974767.6376 618126.8046 1051546 943181.7797
Inositol cyclic phosphate 217450.3572 104184.1609 334974.9596 189856.9745 149861.2427 421963.9928 141507.8385 346302.1162 338059.5052 1844209.019 303637.2608 68335.40937 1958285.431 112120.7619 126829.4165 633670.1811 2692423.236 936536.3271 4563964.522 594148.2974 65838.06831 916921.8013 428605.9028 96568.47258 270085.3458 469654.9183 134646.8659 1850259.863 181911.3844 147545.8999 38829.20078 438526.1575 68780.13236 100522.3519 939959.5478 91335.35667 106118.0506 437638.6694 93418.92232 26376.04351
Inositol cyclic phosphate.2 376686.5718 168136.4594 470733.9348 304362.9186 191689.9851 650870.8784 247731.6291 531406.7916 602579.2799 2243672.591 487635.7606 128543.3369 2313994.65 188185.1719 185710.5131 1006825.618 3819700.847 1385075.173 6027594.616 921481.8254 136357.5023 1353296.562 625156.7414 175170.1169 469768.9039 786692.6971 257126.6652 2616787.753 306080.5539 262898.3761 91994.757 716804.3223 111700.0486 211441.3092 1095155.855 126969.9103 157638.0514 479339.5385 187431.9729 60425.58459
5-Aminolevulinic acid;N-Acetyl-beta-alanine;Propionylglycine;5-Amino-2-oxopentanoic acid;cis-4-Hydroxy-D-proline;4-Hydroxy-2-pyrrolidinecarboxylic acid;Trans-3-hydroxy-L-proline;L-Glutamic gamma-semialdehyde;cis-4-Hydroxyproline;3-Hydroxy-L-proline 101467.8958 335016.1393 122097.5673 1103329.761 126008.0602 174407.8651 436600.3323 97824.17142 131437.3914 98245.64241 87224.10385 85478.38718 94036.00655 337600.3148 316217.4703 25917.05617 22690.66756 90437.20752 109674.8602 253457.2334 114408.0644 81596.38344 83534.52472 79937.71771 143615.1095 85761.46422 14587.6325 83354.59133 93992.26601 110720.0883 112538.6682 19046.47985 106051.5807 159425.8613 97610.27744 103370.9087 79684.01687 94901.52504 78259.07866 107610.5493
Adenosine diphosphate ribose;Phosphoribosyl-AMP 3753762.312 5457577.643 4421149.135 2594930.992 1632735.305 6092052.153 5422514.813 7273041.923 10693485.4 7224740.975 4453109.961 5869897.595 4837304.927 7607491.033 4799210.717 7029829.158 8301659.256 7700901.559 7483399.417 6858081.113 4950255.73 6629507.92 6952528.084 11950592.08 11452391.61 9324843.34 10470377.82 13414144.62 12767973.61 12469943.41 1394269.118 2467632.555 973693.1048 3029994.548 2311653.486 762943.8452 668680.7906 1375092.853 2995079.166 2196053.697
Indoleacetaldehyde;N-Hydroxy-1-aminonaphthalene 290760.1321 402353.6745 227857.4314 660933.7208 878910.9311 316694.9535 209704.1495 222908.2769 352950.541 74051.75029 237905.7422 901392.0528 374130.575 415972.4699 403184.1607 776652.1297 712264.5149 285092.5648 494544.172 1984437.801 2934785.201 2691457.904 13585917.92 811759.7624 383506.0654 139303.7031 485152.8257 794830.4021 296525.231 353360.8073 656285.7632 533976.1522 472678.3773 1126272.867 318886.4032 216292.7899 150375.7575 167096.1569 274480.2453 225560.6917
Indoleacetaldehyde;N-Hydroxy-1-aminonaphthalene.2 2064605.841 1894419.486 1741767.186 4139979.641 7503868.934 1214054.751 2305750.823 1333923.233 1058530.828 1113839.749 1047243.767 3181550.971 1076901.61 1399482.695 1689234.111 3692390.1 2829349.997 967824.9913 1537386.196 7260531.392 9796561.748 9442246.176 42686200.99 2455042.931 2448805.275 2039186.33 1873084.916 2942601.923 1731115.394 1381644.413 2553849.395 1966980.13 1802416.668 4480153.102 1056243.279 881554.3509 1740700.712 1220380.229 1151995.846 1627040.688
N-Acetylarylamine;2'-Aminoacetophenone;4-Acetyl-2-methylpyridine;2-Acetyl-4-methylpyridine;2-Acetyl-5-methylpyridine;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;2-Aminoacetophenone;2-Acetyl-6-methylpyridine;4-Acetyl-3-methylpyridine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Phenylacetamide 1352545.662 1376254.625 984629.8754 2079212.184 1565273.736 875656.7097 1106359.382 1571796.548 1630673.397 1446793.945 703546.3215 790666.8449 1209814.67 843648.3386 931917.7316 617405.3813 564622.3942 467422.1211 760550.5139 636979.2726 1052876.226 1644681.464 1549945.939 1627322.054 1410530.671 1350800.371 1569569.568 1647680.676 1749748.651 1393932.278 1937399.451 1405432.499 949758.9367 1354573.08 1365597.964 875311.1938 873848.5374 966437.6469 812958.4201 830358.3291
N-Acetylarylamine;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2'-Aminoacetophenone;4-Acetyl-3-methylpyridine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Acetyl-6-methylpyridine;2-Acetyl-5-methylpyridine;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;2-Aminoacetophenone;2-Phenylacetamide 1947164.137 2015373.05 1685315.461 1264813.691 2423104.118 1865937.954 2269348.938 2554864.423 2725171.854 2234895.532 2694435.27 2774221.675 2321688.193 3053479.837 2059443.103 2458810.316 2185030.267 2594439.849 2591787.092 2583942.479 2738942.432 2105331.887 2383815.848 2671336.012 2505112.735 2687653.783 2758139.388 2487457.982 2787083.452 2583240.789 692213.6948 1294883.851 121487.294 1049140.004 1162290.235 288493.1375 230867.7284 298374.3466 745827.5362 479968.8762
Fucose 1-phosphate 1903274.544 1787451.093 1414611.989 1724687.931 608280.3332 984317.1047 1746225.37 2772390.451 1495843.988 2613505.032 2092640.125 2996671.869 1135474.708 2986146.016 2483449.932 1563130.24 1638618.141 2115428.35 1583616.681 1581331.807 1089096.413 746480.2033 503185.8467 512736.2665 523939.7576 530468.1611 619777.0201 440429.091 716443.7904 611279.9718 1128099.247 517160.9002 554491.0615 693403.0241 648837.6903 598744.7004 590828.7535 448549.4482 1017757.278 845030.5205
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;N-Acryloylglycine;5-Oxoprolinate;1-Pyrroline-4-hydroxy-2-carboxylate;dimethadione;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid 404990.6028 57537.29612 351084.0696 102093.5383 53525.43151 194818.9958 241390.9562 150996.1976 82516.2265 634836.608 668631.941 618947.9129 575055.4135 493580.9307 703207.6214 293973.2426 638788.4201 244813.9246 592512.4729 425764.2018 288072.9831 438637.3306 358048.2975 3502162.91 388954.2542 228874.677 214388.7207 447332.388 159467.5147 454609.7124 504373.0293 253362.2117 489848.2525 709345.6844 486257.0312 538474.1251 374860.2944 123577.4618 220514.0834 635929.9023
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;5-Oxoprolinate;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione 55246453.22 53691683.27 42816410.24 53244463.64 38888319.89 60003699.59 45214214.99 61508001.46 56674181.26 67298682.33 52764772.37 51639481.31 62189209.4 47799961.8 53620144.08 49153100.17 54076205.77 57404850.13 50957669.4 41112216.59 42673187.77 51939172.3 38867896.32 45739557.47 51517010.59 41965380.53 39068636.05 45176813.62 51123794.8 53789313.07 53370709.92 49334137.71 42117808.59 49433695.91 41086673.03 36970151.49 36763543.44 43488969.41 43925943.83 39882168.61
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;5-Oxoprolinate;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione.2 617300415.9 739094368.7 546153005.6 655548881.1 491124329.2 572810322.8 555064298.9 579542865.3 546987496.8 633046466.6 680975630.9 728833648.6 698116693.6 646997119.2 662962059.2 699189699.1 729906987.8 712901969.3 673698041 574014055.6 707012418.4 649926776.7 579658150.8 633680872.4 665162483.4 579448188.3 626237450.2 639811674.2 556776463.7 610518841.7 664801982.1 852762353.5 676881015 960332302.1 667080076.7 709310568.5 676840915.1 663292078 780664967 743512577.6
Diaminopimelic acid;Alanyl-Threonine;Threoninyl-Alanine;N-(gamma-Glutamyl)ethanolamine;2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid 583240.3652 458270.5139 413050.5994 512421.0452 135725.5212 415591.0087 673146.5354 340073.3526 335242.1441 1092084.292 1104784.861 875618.3142 1029132.129 854947.9085 696280.8442 1374221.807 1349158.453 793979.2067 1172843.205 639579.3492 1291697.95 1416079.253 964144.0017 874064.7089 1113651.129 1092477.477 893535.4303 851092.4143 662190.775 1142127.548 1299959.762 1586227.084 1147779.853 2529353.055 1371782.368 1255576.102 1148788.918 1420374.974 1901206.512 1690244.275
Hydroxycotinine;Cotinine N-oxide;5'-Hydroxycotinine;Oxoamide;N'-Hydroxymethylnorcotinine 44055.60862 108318.3472 35415.19278 42133.29556 132049.6602 45724.97668 51327.42443 40368.46826 43795.11962 48935.00571 37659.82608 51588.69293 47873.70327 75851.30414 41214.01083 183778.4604 58065.12578 39073.7425 42641.0817 506405.1841 779837.7292 119780.6336 1915688.7 56755.87889 42693.2285 36002.55467 35031.14779 37792.01389 46667.61611 43396.02138 42343.11507 40003.83687 43908.20597 258959.2833 95072.26981 31397.68138 33252.38106 34958.93524 40746.97595 31296.67878
Pantetheine 4'-phosphate 226382.3535 263299.0068 254781.0859 238895.0875 38943.86318 720912.258 591025.5684 940334.6057 1909063.576 865826.4853 45104.53527 86971.97636 233887.953 160816.461 124090.3363 148216.1553 156622.5147 238539.9145 201505.6793 176671.9725 70806.16957 235569.5744 121219.3448 589224.1918 553748.5196 283378.7274 457917.0625 1000197.162 1101538.412 1004926.669 220313.4767 71133.94672 61115.78497 84897.30374 67335.74819 48150.30419 46947.0672 56988.1059 144723.8759 103484.6811
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 750387.8801 710654.0437 657577.3202 921155.5386 342340.9658 686894.8885 837266.9171 649849.5119 646313.9245 656497.7862 396638.5051 416283.0774 471002.6973 440184.9461 436001.8417 462044.5097 436581.9137 436938.3048 467395.3759 429704.8569 457716.7696 780163.499 751881.83 517493.101 961072.0518 740541.9747 962413.515 963562.6117 738591.0243 1139815.279 1087082.256 615363.4823 425571.4762 726675.0612 580959.3319 399838.5894 481769.7644 448788.156 647465.3064 575966.5309
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate 524236.0002 486773.4538 381428.8592 561948.6299 157721.6662 647236.6243 542948.5558 605617.1814 643037.3624 671889.7584 417464.1752 409783.4704 466703.092 492688.5266 502959.8366 570515.6236 636034.6605 563921.8728 457444.4087 372451.9847 491724.7665 705136.0982 343654.0787 508648.3185 566150.3536 542145.0481 587027.3482 576315.766 656167.2061 762195.9952 708055.5151 610998.8551 428978.517 769353.3794 457635.911 453044.5666 379226.9164 498060.55 746952.7943 571364.4958
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate.2 4852848.185 6323693.723 3931789.333 5196910.462 6912217.122 3102209.454 4211541.784 3380931.517 3733636.477 3530278.171 1936935.053 3382009.274 2870980.635 3102835.01 2819451.481 2799332.517 2955437.167 2790417.025 3063042.483 4542338.391 3055038.088 3327618.314 3436694.851 3289137.432 3545468.312 3103142.074 3453579.033 3334951.94 3351810.35 3173597.647 3666897.452 3747116.102 2755101.809 4462026.066 3215960.129 2658720.646 3104920.879 2299123.147 4383996.626 3250975.33
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate.3 6435977.549 5779012.764 4003565.567 4585220.888 2777228.29 4116805.767 5478795.429 5474632.099 3236921.889 4996674.108 7906624.387 4886359.137 4246623.272 4614945.776 7225233.282 4644612.331 6428525.38 5467351.138 3866018.026 7386252.565 3177786.604 2789236.667 5435505.257 5431009.927 212655.4166 3413958.191 3887705.748 1699711.395 2418122.673 3510268.186 3735503.699 4262211.258 5496693.045 5598955.751 4944853.29 5415679.051 4081739.983 3996930.835 5193513.699 3347820.907
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate.4 33972942.14 39748965.14 27245210.15 30242124.41 13223259.13 29903853.61 38852580.03 26879352.51 32410320.65 26832575.2 27945350.39 36480130.24 26944259.77 37210111.36 34914391.41 35960268.89 25942846.93 32811213.99 25800995.14 34627520.2 38482774.77 33671291.45 21655334.07 24716182.1 33057178.64 31162815.73 32461630.78 25110425.86 35072976.11 38279482 38082920.14 32509368.14 22744105.61 50543089.44 23696223.85 24866702.26 25869481.57 25962382.12 45821544.15 37811629.55
Xanthylic acid;5'-xanthylate(2-) 736435.2603 885331.8398 490695.0824 518106.703 22946.07365 589020.5907 693874.3043 551473.4587 698527.9858 854285.6414 492271.4158 401683.4052 370263.7805 568807.1199 405303.5019 642320.5077 510786.1028 398895.5586 501275.9073 423213.9272 741473.4202 1195654.597 576639.2244 610421.4577 1002502.317 1119785.077 854737.2953 656697.4247 814623.9202 1323562.178 1501996.374 1231941.42 426668.0996 1130320.657 628683.0538 590015.5447 573576.5416 521840.7879 928000.7299 86228.04059
m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal;2-Hydroxycinnamic acid;3-(2,5-dihydroxyphenyl)prop-2-enal;3-(2,3-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;Enol-phenylpyruvate;Methyl Phenylglyoxalate;Trans-3-coumarate;Cis-2-coumarate 11472907.94 11447012.01 9832560.639 20313772.94 13836089.41 8565405.707 9475863.137 15513618.72 14971977.53 13004765.23 5658608.627 6540933.722 10330003.7 7033673.843 7408922.839 4226699.057 4322349.078 4457159.982 6497484.569 5465186.093 9045552.836 14505301.46 12943189.72 15068115.89 13692972.61 12573372.41 14515966.25 14874486.39 16271905.74 12896782.74 17813478.78 13803173.18 8167848.493 12568979.5 12061918.72 8827332.185 7829296.306 8932706.488 7345343.145 9172751.722
DL-O-Phosphoserine 4200.502073 4249.552702 5101.909227 4159.725676 3355.607746 6805.817284 4845.769012 6312.443643 7909.224352 4775.698439 3812.895032 3958.069665 4062.118371 3892.931536 3849.228887 3961.246935 4594.933886 5072.286338 4303.327109 4088.979992 7709.184872 13534.08601 34880.6438 8109.077734 18619.30127 30777.32986 12540.09862 37426.81602 6948.062345 4870.201284 236630.5278 1181720.125 673039.0488 445690.5644 1600873.932 1157390.301 678481.6847 122065.3698 424680.4188 106072.4013
DL-O-Phosphoserine.2 6187.095852 5994.444832 6188.514291 5391.241693 4017.095343 8163.942834 5887.471211 7234.813007 8496.432302 5728.706405 6131.236205 5483.390111 5175.815393 6496.017746 7331.014644 5585.597827 5822.47807 6084.479495 5325.278963 5105.469636 6755.282474 95468.01818 45070.0766 17466.25903 20186.03429 39355.65275 28748.51889 67422.97056 8334.573416 15850.67142 387915.168 1197821.082 779690.081 622064.1471 556078.3421 680619.2135 647160.7973 2176652.751 561797.1384 155040.5269
Phenylpropanolamine;N-Methyltyramine;1,2,3,4,5,6-Hexahydro-6-methyl-7H-cyclopenta[b]pyridin-7-one;2-(2-Furanyl)piperidine;N-Methylphenylethanolamine;1,2,3,4,5,6-Hexahydro-5-methyl-7H-cyclopenta[b]pyridin-7-one;2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine;2-(1-Pyrrolidinyl)-2-cyclopenten-1-one;2-(5-Methyl-2-furanyl)pyrrolidine;1-Furfurylpyrrolidine;2,3,4,5,6,7-Hexahydrocyclopent[b]azepin-8(1H)-one;4-Hydroxyamphetamine;N-methylphenylethanolaminium 2683225.962 2216874.746 1767408.363 2043936.332 2516104.087 2088950.367 2410375.2 2928510.329 2614196.011 2340437.782 2462177.934 2722521.425 2141995.75 2651515.878 2269340.503 2252280.894 2023910.764 2215293.358 2403195.13 2483698.24 2408966.778 2175256.951 1890593.6 2698961.515 2095979.03 2474959.61 2506472.359 2205295.991 3035852.841 2622525.256 1733928.449 2021815.13 2430839.385 1953100.703 2001070.523 1724598.842 2206829.238 2250707.205 2026091.607 2141441.738
Chlorate 35432.89695 39821.2616 34044.31044 26934.2566 294996.1434 24951.1854 28208.39961 39259.75545 43860.41916 33850.15508 32969.38887 100250.2339 39898.28934 23866.9688 4558697.303 26897.69775 29361.31887 27806.45737 69646.10941 61579.62419 35770.56985 35742.13388 38904.62146 29140.97728 29201.3711 41848.04118 166856.785 69318.26124 50383.41917 49779.0385 38981.15539 39400.78616 46118.21138 217404.6624 52683.43489 37081.47538 36798.50797 40272.38906 38632.48472 142621.3625
N(6)-Methyllysine;Putreanine;Bethanechol;Isoputreanine 146503.5603 319069.5671 140130.3887 126613.9878 82817.1298 6928170.81 10967989.77 7610952.014 11638396.48 9052789.198 6976327.43 7410386.349 3059981.606 8178572.853 6941474.628 107357.9756 1008430.766 241815.7895 918924.7736 94374.13923 161015.1369 101283.4762 2519585.495 246970.875 90314.11967 220425.4739 166311.4505 159872.5755 3948982.448 251929.914 187798.2589 1157596.753 1254050.66 1787527.479 214945.3483 1214693.61 97021.65416 107205.3303 159870.0434 167804.2969
N(6)-Methyllysine;Bethanechol;Putreanine;Isoputreanine 11330795.36 10656804.52 10238257.49 11077281.7 5899514.861 8654038.368 5053286.307 8252622.616 6045679.405 11313243.73 10133542.08 12747652.02 8586034.245 12839940.6 12607354.13 10044946.09 11122679.86 11556448.23 11765150.49 8172426.577 12530095.21 14031922.01 8978361.533 15535315.34 12554907.45 10847383.27 13280222.76 11656332.17 7689530.449 11368603.53 13542823.66 15011906.09 10319420.1 14993109.95 12579214.31 9614931.652 10682664.54 10277531.71 10535629.24 11727441.55
Malonylcarnitine;O-malonyl-L-carnitine;Linamarin 11810207.93 12411385.24 10483004.6 9338272.819 4866130.477 9421008.383 12175774.46 7568543.393 8257790.792 11562466.43 19330871.21 21925161.21 19850943.88 20601168.37 21122409.8 20820526.27 19029909.59 20211551.92 19885361.02 17563442.29 21921514.24 16297558.59 13160160.23 10012298.8 14288054.65 13188698.64 11268191.26 10866295.94 12067900.06 13069113.89 17468576.4 20928390.64 18059620.67 24825786.51 17699118.67 17491667.46 18549759.85 20008923.53 25433128.96 20312000.91
S-(2-carboxypropyl)-Cysteamine;S-Propyl-L-cysteine;L-2-Amino-5-(methylthio)pentanoic acid;S-Methylmethionine 341096.3688 281680.5283 229268.5446 190085.3996 95898.36854 240802.2703 312906.6855 125454.9068 130997.6744 157321.5668 444901.1064 596666.6861 328691.0113 463855.9979 457496.9741 449804.7411 505519.0114 573396.1134 602065.897 318558.7806 513662.5831 423802.5277 361331.9658 439520.3663 303092.8027 395319.3496 490210.5836 451069.8535 428776.719 451506.2858 422957.0971 1107030.414 815487.7005 1006981.4 604531.5098 781372.5629 798223.9607 926277.7517 665225.4946 545893.0828
3-Hydroxycapric acid;2-Hydroxydecanoate;2-Hexyl-1,3-dioxolane-4-methanol;Ethyl (±)-3-hydroxyoctanoate;xi-5-Hydroxydecanoic acid;(1R,2R,4S)-p-Menthane-1,2,8-triol;7-Methyl-3-methylene-1,6,7-octanetriol;2,6-Dimethyl-7-octene-2,3,6-triol;(1R,2R,4R,8R)-p-Menthane-2,8,9-triol;cis-p-Menthane-1,7,8-triol;(1S,2S,4R,8R)-p-Menthane-1,2,9-triol;9-Hydroxydecanoic acid;2-Hexyl-1,3-dioxan-5-ol;(R)-3-Hydroxydecanoic acid 381314.4456 400006.531 174340.6704 194022.0865 183190.9588 211233.1023 379342.495 73617.87546 88045.87529 116478.7569 308945.8085 392009.8657 30803.36948 128587.3274 65627.58533 445048.3373 375935.3522 379204.5923 395168.2086 218866.2557 734604.6807 274379.5927 156018.0529 269322.2641 183963.573 436617.823 371835.3873 361090.9609 503959.3904 202294.1826 464309.666 421799.696 259997.3445 553716.7505 106958.9544 397735.1374 239061.1368 375744.9663 332470.3285 599340.0749
Imidazolelactic acid;4-Imidazolone-5-propionic acid;5-Hydroxymethyl-4-methyluracil;5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide 347053.1259 308676.9698 309049.5719 236024.6862 146619.1192 1500463.498 1258018.592 577478.2279 944721.4821 778966.2702 279945.6679 313542.5244 245160.3751 283139.1074 308813.3176 1151101.971 1356417.659 1127737.73 1101417.29 837294.9569 519185.2291 474164.1495 226890.1542 359050.8461 382300.7423 873243.5993 1047341.553 929734.2965 932321.178 1784705.062 511953.8609 854029.6925 386399.579 1040836.066 445361.372 929056.7345 786055.7301 721425.7802 1595558.578 1280880.332
Imidazolelactic acid;4-Imidazolone-5-propionic acid;5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide;5-Hydroxymethyl-4-methyluracil 631971.1217 626803.4434 740583.8801 645433.8713 242109.5782 542558.9301 606171.1161 727907.4802 711102.3503 642597.6566 347727.9303 426989.708 192088.7384 507186.1628 653286.5694 92761.40217 53814.65562 222621.6588 192198.2565 415575.1562 459479.2029 497596.0958 382086.0529 339307.9018 310612.1514 339729.1996 295200.8131 286880.2618 534032.796 632677.0953 662095.5314 163885.994 244151.915 252058.7376 265756.8587 211773.7507 271131.4865 199001.0177 249938.0225 160374.8156
Tiglylcarnitine 1804509.006 1990643.281 1010496.559 2158673.932 865052.1891 1254753.917 1655438.792 1972126.446 2324120.934 2975596.777 529690.6058 972421.689 755075.9888 1405297.942 1275650.642 1223582.642 423045.9506 1044234.454 377110.3522 910451.9662 1611373.028 2442679.589 1191239.934 945324.9194 2097042.017 1000281.378 1962817.319 767284.9774 1384560.628 1849091.516 2977063.547 1515791.569 906823.1789 1977138.327 1463187.004 909790.2535 1275322.835 1564542.685 1760334.913 1502483.845
A-Ketoglutaric acid oxime;N-Formyl-L-aspartate 24515.50137 21004.545 19992.87374 3963.880483 25908.02296 19898.87002 16117.51126 24696.75744 19976.66434 15666.84646 17781.85988 15456.08433 4374.628226 16698.75891 22656.31344 15260.1211 16875.92934 16552.53611 19549.357 20919.06714 26293.6597 4107.349996 55049.67686 610360.4615 70944.94862 304029.7536 42740.1183 150126.9499 487464.017 239552.6011 76563.12992 1421276.911 1068015.227 1825263.845 713642.4177 1023571.053 729503.903 1141235.089 922483.8916 2846853.221
A-Ketoglutaric acid oxime;N-Formyl-L-aspartate.2 24926.36846 21893.93721 9677.811294 20703.35634 44982.38098 38905.76837 7420.998588 8983.688772 8813.118861 43833.09332 6712.502514 6902.497051 8135.820908 36812.69312 41668.93731 36416.89725 35988.17181 28853.13393 10125.70243 35692.84204 233338.1835 155628.5918 156788.1351 661938.6074 415224.881 285638.3468 1407735.573 358494.1678 536573.5221 895551.2917 4298039.325 3527811.048 2575998.512 4584923.548 1914867.096 2470296.188 1684562.706 2877178.796 4057874.36 7347152.756
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil 351553.29 327246.6045 421310.1654 482857.0049 571242.6605 314993.2696 419430.4646 570066.7451 671085.4554 1178921.422 625100.8381 655590.4496 584967.5294 1201841.63 1016179.113 1649333.063 434371.7285 881483.5451 555704.0666 344131.0122 592928.4692 320782.7459 517453.4584 484484.8853 462350.5762 393830.118 794484.571 197289.1912 268886.6346 389586.8226 441758.5715 4016929.666 482410.269 1433668.815 2183601.554 324824.629 659735.2295 930698.4152 1188585.329 2218271.798
N-Methylnicotinamide;Pralidoxime;2-Aminobenzamide;2-Methylnicotinamide;2-Acetyl-3-methylpyrazine;4-Acetyl-2-methylpyrimidine;1,2-Diacylglycerol-Bile-PC-pool;1,2-Diacylglycerol-LD-PC-pool 44378251.8 82311672.47 26939801.1 48020695.73 116306233.8 7383917.105 8495129.303 5774145.079 5964248.304 2677966.778 4511474.359 3392101.324 4198048.114 5150718.695 3023842.979 3053916.241 4548445.747 6947011.863 5874334.194 18243459.16 5052471.831 4564799.722 3082288.782 1931728.487 3673715.46 2737730.202 3071370.663 1779562.438 2412075.155 4198363.782 7274198.676 4167770.736 3210708.927 3153098.263 4932454.095 3686379.761 2616027.863 1164007.889 4526909.066 3296725.642
D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;3-(Carboxymethylamino)propanoic acid;N-lactoyl-Glycine;DL-Glutamate;L-4-Hydroxyglutamate semialdehyde 2697689.493 3611141.899 1366398.441 2306225.84 2560039.003 1791682.941 1869512.352 1754487.155 1807008.266 1963079.885 647976.2309 814955.6369 858596.4328 782417.5088 816683.6 1168503.364 1089493.44 1142967.811 960080.514 995611.1715 906318.4838 1725576.248 1101752.296 1153836.722 1546986.133 1599477.794 1563255.584 1571830.755 1775425.028 1931605.084 2094386.302 1182612.427 532593.7577 1458647.452 939994.4235 845332.4547 792444.6027 919575.3762 1023526.555 1031080.323
5-Aminopentanoic acid;Norvaline;Vaporole;Amyl Nitrite;N-Methyl-a-aminoisobutyric acid;Trimethylammonioacetate 133670.5325 208909.7053 217018.3295 259510.7973 57106.2827 160752.614 253.8787659 106314.1474 44079.4929 207611.5055 98965.12557 55248.91601 55719.20214 507867.0333 185296.4764 207539.3311 130477.3068 2594.080261 433207.8967 249.8006992 284.4539502 124167.2234 238.7262085 121699.6614 5539.332645 490369.4001 9882.662338 166148.0219 161019.8773 49339.94264 41268.01691 315546.9744 149660.2332 258.4071066 339511.8434 186472.5565 483695.8427 1460.611627 603.1595519 78610.26324
Quinone;1,2-Benzoquinone 97358.58393 42273.75669 117619.2069 77115.14253 45777.48361 161305.4675 50155.30608 139891.6789 132491.3009 665285.0718 123548.3705 29505.16424 665831.5769 43088.98928 46473.90686 252773.3859 1065934.39 380312.8643 1646992.224 197209.114 26933.52422 339712.5432 145818.5783 37042.25722 100098.9004 181671.4876 52402.74273 652317.9425 62256.22065 54317.57615 17401.49942 182800.281 30627.59225 37671.21283 345821.3213 38281.71699 44161.12922 173618.6841 33021.28695 8197.55274
D-Ornithine 696402.4531 709722.9021 540814.4188 669427.9225 374778.4828 684428.0876 654337.4861 515095.4104 566647.8012 561384.6054 1013522.732 994251.8223 896447.5941 936712.1204 985573.8506 917977.4627 864977.1996 796619.8565 870375.7669 792958.7714 1168620.087 911122.278 724225.2818 596748.9224 732621.1081 600574.3184 892551.5541 891986.7977 685676.8826 785529.6392 1003734.749 1803881.17 1105247.665 2206185.149 1051686.678 962651.7285 1025336.015 854235.7402 1566977.628 1127374.96
D-Proline;4-Amino-2-methylenebutanoic acid;Pterolactam;Acetamidopropanal 63774.93989 71394.19917 308402.1118 126690.4412 28615.65687 51530.1371 42168.72304 88157.50053 19007.03856 172228.4996 3911.977796 15302.51979 12466.21785 23398.13898 29187.7204 29509.57036 11272.95836 26923.2028 14278.44784 24414.03397 6044.375746 68273.34687 42051.5303 73733.17819 70478.79911 25331.60221 79443.06995 20296.229 82368.6466 66924.28189 53416.52075 13106.50853 47151.94876 29980.36684 23452.84935 7122.200897 25540.01122 19663.38424 23487.9519 35931.87979
D-Proline;Pterolactam;4-Amino-2-methylenebutanoic acid;Acetamidopropanal 116348.4229 65606.26397 107431.3981 108475.9612 100293.4172 69322.47706 70499.19492 100535.5021 108761.8966 91209.07524 82115.03167 28752.33066 102069.4361 57931.99711 103548.5584 37260.65086 24994.96469 39557.30684 44878.38158 43612.48601 96101.51905 123207.4534 82981.33143 74641.93697 102919.3638 238294.7051 105128.6731 87780.03907 108454.6862 104888.7348 144371.5952 158425.6958 50574.80756 286113.6012 122360.3066 101737.2575 89516.24237 99568.53093 120442.5188 101948.0532
D-Proline;Pterolactam;4-Amino-2-methylenebutanoic acid;Acetamidopropanal.2 7732530.63 8257994.933 7030095.415 11134711.05 7622293.843 6237104.191 6105944.156 12595961.62 11229130.42 12133847.85 3421976.372 3882798.619 5409513.562 3190658.585 3294744.795 3444488.471 4098182.679 3555286.934 4094532.595 3406649.869 3499624.673 10982654.57 10080278.15 8939124.289 13523004.99 7203351.085 7337138.988 9954342.13 9553410.719 9032648.321 10864296.56 5556719.801 3959784.282 4223105.466 4864914.242 4058624.556 4466565.2 3895366.632 5316901.996 4411066.176
D-Arginine;L-argininium(1+) 259308.6815 42231.7236 71651.16628 51073.17676 146738.6827 481164.2659 29698.70796 3524.440263 21350.07043 143388.6391 141061.3029 65296.56293 83535.441 58114.73567 45889.94817 50480.84055 92565.26601 44188.26931 70026.57872 7948.682141 22893.21009 536909.5548 75357.86475 972.2049655 48147.09567 67909.40327 19282.4542 11158.32291 17377.30169 61192.76622 331882.9272 19163.7716 118099.6421 7802.616852 8610.830894 41542.77673 55760.37407 469924.8428 448.4606617 48973.54183
D-Arginine;L-argininium(1+).2 134120.998 359198.8683 330836.7193 343590.6002 1967.405595 222887.3273 276.2298678 70719.32003 503399.259 583734.7121 260969.3056 97661.69233 77903.01862 678049.9638 276910.2447 241729.218 185458.7767 2864.554949 421931.1476 269.9871625 266.959339 204219.9847 259.7433023 194533.9134 15028.57934 111885.0992 431014.3309 282608.3211 174962.8978 78789.77931 194400.1594 124481.4137 267030.8183 264.8608669 48581.94274 455077.3877 608199.9492 115633.3764 266.024301 103650.3667
D-Arginine;L-argininium(1+).3 8075062.37 8846028.041 9195429.121 4643565.607 5736314.806 5089848.35 7440409.423 8517955.06 12763104.87 13135298.81 11526076.74 9195672.159 4197661.258 5714450.755 3376518.856 6513626.981 7079249.674 15660346.75 7634120.901 3837581.174 12227290.68 13355586.18 11613184.15 1226713.996 7005016.613 4352032.757 8909315.075 11617859 9447486.249 6542389.867 18728500.98 9468674.464 11287097.55 13335388.83 8895308.08 11900036.36 11483245.4 14250601.69 12890955.08 9336924.076
Taurocyamine 1014995.841 1086825.209 1384920.316 593695.2849 347081.1511 834057.1767 703109.6751 746679.4635 750465.9881 896111.6258 965590.5617 1286774.921 1003771.987 960014.1359 1109656.785 808528.1794 886153.3953 939718.2218 812279.1871 593831.6403 1220193.604 917463.0795 869644.5645 386880.9457 1206618.825 604416.9648 343193.6069 374598.1576 830700.951 406669.6112 1269906.809 690682.5512 1146810.666 737910.6184 1183188.951 544690.1011 671113.5928 782639.8025 461739.5713 488425.7337
(R)-N-Methylsalsolinol;(S)-N-Methylsalsolinol;(-)-Salsoline;2-Isopropylphenyl methylcarbamate;Ethyl N-ethylanthranilate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline 2316488.184 1655110.025 2023165.846 2139942.198 2118279.982 1666613.939 1558984.836 1588511.858 2487259.4 1841777.043 1616333.257 1513958.37 1825305.258 1640167.647 1616603.258 2045265.246 1336536.797 1662549.721 1588931.071 1511136.533 2106553.076 2082655.44 1211428.181 2191447.424 1587244.109 1618892.393 1766707.844 1621794.032 2020584.806 1543589.007 1561234.192 2275954.326 1825709.397 1967127.801 1638645.214 2002412.17 2225075.053 1623301.744 1759005.283 1671039.554
(R)-N-Methylsalsolinol;(S)-N-Methylsalsolinol;2-Isopropylphenyl methylcarbamate;Ethyl N-ethylanthranilate;2-Methylpropyl 2-aminobenzoate;(-)-Salsoline;Butyl 2-aminobenzoate;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline 496350.4128 451599.8903 358994.1072 379375.6841 1085645.575 486790.7138 485407.8577 573625.1024 542316.5319 459770.0224 447069.9743 482655.365 412192.3958 451944.8195 342331.0054 216270.1109 399850.9178 413744.5706 295191.1728 452483.3689 516310.3572 357533.0359 309782.7418 368014.2975 332077.1546 423634.0644 447718.1778 320508.1049 536545.3117 470109.6441 335367.3197 322813.1372 433574.1303 486352.9334 487321.8705 498049.1647 496094.8971 461120.9328 328203.0163 377085.2742
Epsilon-(gamma-Glutamyl)-lysine;Glutamyllysine;Lysyl-Glutamate;gamma-Glutamyllysine 930864.2993 776105.4289 815981.0568 1118067.164 562451.3106 909789.4321 1017977.651 1249412.73 1010973.329 1144295.524 208324.9867 186162.5295 199231.1874 167721.3747 213272.2191 169793.3045 211149.1779 176996.5996 209761.9835 208004.5052 182032.8136 666645.1856 436658.7093 494547.5918 627097.3262 638346.7378 795342.3717 650433.8881 675165.3942 767977.3814 745817.9042 174810.5701 151778.2466 150929.3542 211487.1603 136213.6175 165328.0607 141689.0801 207163.8003 180856.0968
2-Hydroxyethanesulfonate;Ethyl hydrogen sulfate 194463.5726 844977.6093 34792.85192 48430.24643 381277.1309 289206.5097 1096984.587 334424.0513 126553.8884 418613.6331 244147.5801 997569.6077 94135.97193 514207.2893 727400.4111 897973.4333 129258.7976 78484.75318 664248.4712 402495.4596 1503632.613 144762.6344 937943.9365 56770.91498 674861.7711 817987.1 490678.8916 884266.3787 379160.6115 110860.5065 468574.8962 380292.5445 791515.7148 39930.78497 37367.36032 817581.2129 470738.041 437451.1535 1935496.092 50876.95982
N6-Methyladenosine;2'-O-Methyladenosine;N-(1-Deoxy-1-fructosyl)threonine;3'-O-Methyladenosine 36713.32625 121074.3241 36257.03624 57714.9743 802353.5302 35841.69155 35732.54045 34002.97088 38736.87055 41514.00112 31692.03921 36852.83148 36891.14197 33674.60778 37080.00892 34145.6416 37526.80807 35597.17145 37482.00789 31644.59861 36520.96407 41506.72561 35850.31606 32567.58084 39215.12767 34893.66266 35714.62313 35610.98525 37254.7433 40792.00415 41442.71439 41592.86083 29032.20872 41012.48465 30799.61311 32972.99744 33493.6631 37386.60833 39461.77703 37047.44581
N6-Methyladenosine;2'-O-Methyladenosine;N-(1-Deoxy-1-fructosyl)threonine;3'-O-Methyladenosine.2 911588.8495 859829.4015 660056.2063 733699.495 433274.3524 869520.6544 763404.4856 509660.9691 596010.1894 522339.8601 911137.7329 863677.8737 819143.4992 944310.8773 999093.6094 892117.1351 968826.4341 985185.0891 825758.2143 765180.9502 850246.4355 829515.6946 766228.055 689959.6414 513805.7202 657366.2344 1055531.524 735901.3058 612390.9858 946404.4247 796043.4369 1106278.276 701209.7558 1280300.212 775987.8423 638122.1025 841208.4321 703126.6641 1020927.69 688343.373
N1-Methyl-2-pyridone-5-carboxamide;N1-Methyl-4-pyridone-3-carboxamide 3066778.027 2895606.201 2089156.066 2642885.38 1905324.599 1867661.512 2802421.22 2329082.886 2503241.157 2374551.749 2320798.119 2707072.759 3354343.601 2589218.423 2042785.831 1418170.576 1838221.879 2002012.642 1807675.774 2147557.856 3252958.097 5063832.83 2942191.104 1125780.366 2425175.543 2794194.944 2404671.263 1033729.721 2132394.953 5845963.751 4038562.754 1905006.6 2083722.981 1696518.489 3580276.805 2255749.562 2748589.022 1428397.032 5564567.686 3411798.806
Imidazolone 108.5629977 63254.22018 42074.51054 144447.666 118.0886353 102.1287789 116.7793223 25694.01744 346.9817013 300978.5346 10115.44286 131309.3719 112.5185598 6903.778362 322432.3462 106745.6024 262005.7307 178881.5752 32480.41884 115.0689024 115.2871349 413759.3975 116.0479411 502485.552 51809.51767 73092.44626 232381.2577 118858.3914 184201.0085 356167.5117 114.9491235 8799.088297 746893.3553 115.8955036 30989.81923 29702.03674 115391.4329 25114.43189 117.3686355 47136.78753
Diethanolamine 760246.1764 821749.7185 650031.3758 771030.7292 944403.9145 748201.2905 839546.898 1501049.949 1423591.326 1221691.352 1291137.69 1599130.315 1388295.537 1164182.124 1076040.996 1134915.978 1079640.239 1190461.209 1096898.669 1075994.787 1133809.687 968853.8125 852909.9134 1188754.743 1019565.668 1057097.614 1125612.888 919740.9936 1131152.732 1110274.119 798957.9302 758516.9539 996764.675 880782.7769 922219.4692 853818.8538 979014.5122 887280.7271 763481.2343 821174.8294
Diethanolamine.2 6205855.352 5417014.835 5135364.086 3582508.469 5499557.989 7033544.305 6636623.799 3677357.459 4199014.954 4130669.961 3709433.317 4672704.28 3825389.192 5386341.718 4540073.413 5000117.621 3097869.704 4774688.401 4345848.18 5628796.754 4838516.866 3279164.743 4684796.936 5696351.265 5380533.715 5653983.72 4874107.706 6679772.943 5034190.346 4792655.954 4232379.598 6494018.484 11008215.92 8001129.065 5485243.309 3681744.581 6875030.065 8744431.46 6380008.807 8395166.868
N2,N2-Dimethylguanosine;1,7-Dimethylguanosine 188807.5314 269832.9083 429855.0538 196597.183 299478.8356 613807.5148 302701.3716 239933.3972 329203.0478 130512.8725 150831.9827 232017.904 202080.9504 149185.2955 72731.5251 567027.9249 749114.0148 630290.2261 864421.7287 584220.7985 86346.67285 330516.1952 320083.2202 135649.3063 106767.5335 584044.3076 686998.4392 813126.5066 563086.6695 197299.9453 142006.4772 143200.2302 84691.04173 99586.28701 227178.3523 272211.6271 264718.418 177023.2224 213777.5462 290129.6787
Proline betaine;L-2-Amino-3-methylenehexanoic acid;3beta,6beta-Dihydroxynortropane 1495612.193 1276420.945 1327628.976 1320319.368 866332.5607 1473777.968 1935328.459 1345025.049 1166480.899 1160443.347 1552317.366 1765114.936 1947154.719 1504042.436 1587980.07 1322860.797 1617991.912 1520962.341 2065336.832 1472057.974 1446025.85 1890197.152 1521312.386 1411497.043 1319229.945 1540112.207 1494839.151 1438442.198 1679519.856 1415008.728 1659887.494 1351108.052 1301393.561 1435026.105 1243303.558 1230025.516 1463674.543 1584357.128 1732338.036 1476747.299
Proline betaine;3beta,6beta-Dihydroxynortropane;L-2-Amino-3-methylenehexanoic acid 260857.3072 1321730.475 228300.0564 291355.9738 145126.6092 8236738.118 12562716.64 9026485.727 13465274.49 10476061.37 8374577.284 8961541.182 9613319.984 9906933.138 8472781.37 152741.2616 1115186.171 362393.0624 1079260.412 183582.7384 674028.4294 451914.8707 3049641.755 667904.6732 403739.2019 584606.317 633243.3522 355619.2068 4459975.519 684517.0768 414059.8041 1419013.105 1435982.629 2096653.962 480952.7405 1429981.076 282136.5715 276267.4624 377827.1211 328832.9418
Sertraline 509178.2147 704508.5837 267064.6782 583222.5759 56662.74488 563398.9178 408843.3862 770480.7762 746098.2151 295234.467 296786.878 392796.6791 85885.45386 306399.8519 275357.2925 317035.1366 307297.4149 169938.7844 228982.0942 225787.1514 586987.2627 913305.1716 393657.1432 856423.7151 680215.4492 454464.3022 1227371.84 606641.1239 966310.9738 1376646.14 1584503.52 341738.0215 394395.4262 807927.8651 169652.6851 310137.7443 319786.8912 344516.2232 614298.8155 732754.5314
Ophthalmic acid 1880321.317 1785143.996 1807394.265 2296999.259 1326696.527 612931.8977 668755.1076 1021685.784 862268.9863 1210399.934 496770.2698 652649.8315 600284.2181 718587.8225 607599.5934 327757.0468 545784.5564 305169.9196 329439.7129 291744.2567 392196.1431 655321.323 787835.8046 374532.8195 540040.5985 460782.6145 793147.9413 770712.5148 533021.2751 322708.0373 783097.1782 522173.5844 335441.1737 637240.6729 479628.0486 356573.3021 358227.1384 317854.2175 529474.3123 373147.8769
Hydroxytyrosol;3,5-Dimethoxyphenol;5-ethylbenzene-1,2,3-triol;2,3-dimethoxyphenol;5-methoxy-2-methylbenzene-1,3-diol;Propyl 2-furoate;2,6-Dimethoxyphenol;4-Hydroxy-3-methoxybenzenemethanol;Sylvopinol;1-(4-hydroxyphenyl)ethane-1,2-diol;5-methoxy-4-methylbenzene-1,3-diol;2-Furanylmethyl propanoate;2,4-dimethylbenzene-1,3,5-triol 374029.5765 338442.7355 191067.7867 362960.9438 1002361.998 161004.6156 157799.812 193368.8283 183441.9144 117402.1954 125988.6113 106616.1176 129602.4203 161468.8043 111932.5967 117952.0903 106909.7225 115085.0804 129147.4877 147210.9728 218190.1044 163232.7122 168276.9908 177020.7199 162075.2042 135601.4661 326962.0388 95954.48742 173446.1835 116692.7273 170031.2089 136167.5519 110495.5402 125852.17 103196.7558 122427.4946 90687.41458 115348.9729 98402.13768 147089.7675
Formononetin;Homolanthionine;3-(3-hydroxyphenyl)-7-methoxy-4H-chromen-4-one;Trigraecum;5-hydroxy-7-methoxy-3-phenyl-4H-chromen-4-one;5-hydroxy-6-methoxy-2-phenyl-4H-chromen-4-one;1,3-Dimethoxyanthraquinone;6-hydroxy-5-methoxy-2-phenyl-4H-chromen-4-one;7-hydroxy-3-(3-methoxyphenyl)-4H-chromen-4-one;7-hydroxy-5-methoxy-2-phenyl-4H-chromen-4-one;8-Hydroxy-1-methoxy-3-methylanthraquinone;Isoformononetin;7-hydroxy-5-methoxy-3-phenyl-4H-chromen-4-one;7-hydroxy-6-methoxy-3-phenyl-4H-chromen-4-one 127498.8587 1079761.837 40522.06953 359182.4198 1123181.77 6015.253685 7662.446501 5356.139567 5474.897155 6804.379887 4916.625853 4997.060732 5192.648673 4223.319068 6111.007419 7242.728803 6756.526801 4669.18816 6490.016455 10605.06855 4819.171635 6895.65231 5505.462115 4944.742532 8225.826127 7299.027797 5748.634561 5731.104496 7797.608904 9067.067183 8619.17994 7653.352083 4051.609096 8932.959093 5109.48831 4306.053203 6690.55765 6674.784666 7402.834682 5152.071306
Malondialdehyde;Pyruvaldehyde;Acrylic acid 295562.8946 220611.8946 214236.3757 199567.7518 104997.4243 251287.4196 317680.4307 244752.1501 248193.6056 438986.2716 182103.5835 312458.5582 133894.1885 223920.0592 218323.7388 194791.8588 142019.5442 279294.4018 244657.4627 166212.2359 248631.0574 221352.5988 185167.6635 239027.8743 190009.9096 225653.0916 333699.8089 299727.2573 262327.7376 352375.1065 300205.5006 594744.1378 297646.0225 637567.7207 260036.7574 264878.6803 209503.103 351908.2459 322892.8675 230513.9035
Malondialdehyde;Pyruvaldehyde;Acrylic acid.2 579411.5465 572517.4752 500746.0036 486180.845 260453.5083 657840.0632 714262.5719 528457.9889 627336.2816 867030.1012 693285.5203 918610.0631 474556.2443 667454.3723 528417.453 826494.0595 730980.6286 727910.2301 772269.6696 673823.0918 819880.8057 566526.51 519905.4524 611125.4213 568462.6771 541837.2782 727257.3238 573124.9593 673719.2887 666228.0141 681412.344 864814.7934 616799.8393 1166646.026 553072.5097 611417.3706 619152.2875 775584.9143 1106068.438 902566.797
4-Hydroxydebrisoquine;N'-nitrosoanabasine 90087.61836 70130.10292 158070.9102 267139.4032 508177.8705 76393.65792 163608.8113 41884.33022 107163.0379 26434.37155 44974.54553 107212.3148 40738.11733 88862.92625 81257.81413 299299.1765 191868.4928 92242.94921 110125.2896 536362.4518 894028.9113 842743.3281 4024963.199 197297.394 178559.6511 73004.17823 102584.8871 147233.6565 56684.72957 91288.72454 151427.8707 146862.5059 100612.6882 165052.1828 106503.6623 79297.66439 114924.2305 33283.42591 62316.804 155497.6403
Nervonyl carnitine;Triethylamine;Hexylamine 434728.077 554927.8954 290973.9307 432237.3442 457358.515 156586.8715 162740.9953 181828.1155 241495.6969 153690.9135 120178.5126 170326.0093 229808.1574 153841.3033 189333.298 137134.6675 146534.7988 115507.3413 147039.5406 134714.1056 814712.1715 744268.7076 782721.1438 827776.1283 760764.247 1274163.674 1849935.95 1402875.36 1290445.155 1508677.498 43269374.94 53044869.27 61531721.56 62054012.2 63443821.02 53311256.92 59890724.16 64072031.96 67314004.36 58463112.48
gamma-Glutamylisoleucine;gamma-Glutamylleucine;Isoleucyl-Glutamate;Leucyl-Glutamate;Glutamylleucine;Glutamylisoleucine 1490743.918 1630259.858 1255160.075 969406.5586 660675.6308 1326574.298 1612475.471 1118988.424 1379959.738 1629796.775 5562755.085 6487007.241 5291063.745 6879721.745 6488124.459 5436999.879 5382974.678 5794098.796 5665330.07 6051835.921 6527381.401 1869035.805 1426574.714 1402406.52 1477908.803 1638670.515 1662858.113 1211373.635 1863260.263 1507440.992 1802506.29 7412911.097 5178390.782 8288459.282 5536218.778 5117970.512 4371929.701 5083436.035 7296278.227 7275512.666
Leucylproline;Isoleucylproline 7762.364702 33817.79019 15987.4725 8702.547249 4397.256125 7275.858365 9177.720199 8736.835909 10183.50608 11792.30073 23733.04161 105932.5362 15832.18205 25448.91712 40020.64004 24043.9413 22396.9454 30331.32783 34819.26782 29295.64654 60353.80177 21409.91334 24822.39032 19435.08553 17971.39433 12867.58715 10175.93939 8544.119773 18329.47546 29576.91879 17931.97225 42247.04609 22509.2844 478659.1597 30967.31124 18655.01107 28952.27841 27094.15973 46770.36504 36938.38229
Leucylproline;Isoleucylproline.2 16043.40595 12271.63041 19096.40366 11670.66692 7352.910655 11595.44885 29839.78923 5826.404925 18325.36906 15987.56867 13650.13879 28798.18209 35246.07857 27950.1331 45038.89262 32437.58822 24874.4745 35737.62413 223271.4007 42952.41849 60691.93274 40497.53793 11120.53141 13236.90175 16056.17205 25985.16127 16537.04531 14153.97506 10957.35142 21014.05064 21480.79644 84332.01223 17355.29678 183326.68 35367.62906 30365.86945 28895.79934 20990.99945 51000.69731 52513.79905
Leucylproline;Isoleucylproline.3 17344538.97 4651839.964 1755273.086 18039985.08 1309829.934 2080894.428 9952589.823 2884293.258 14104933.24 10219110.1 42167214.24 16617757.95 44670635.2 6944506.859 4700368.622 23804855.58 7116327.587 52783503.23 5980246.731 12801884.64 10624671.53 31873482.22 7109711.984 15422929.21 4799798.335 3758909.573 3219754.478 41623849.48 2313319.518 13915509.84 37640281.6 6750000.23 4348193.596 1628610.936 51821652.17 1811390.627 43949790.59 44485575.16 12283129.18 9047163.447
Leucylproline;Isoleucylproline.4 8739491.442 58735921.4 13452380.57 19939674.78 6560456.357 39735376.66 25881904.17 47208901.64 59837978.18 10326138.83 37995230.69 37975987.73 12932432.19 66391063.7 27195802.37 135288592.2 108483074 67539297.38 18211568.71 61767607.87 63862663.72 109989342.4 38050268.32 9037844.138 36235360.23 74379329.31 69513323.02 6620606.266 87955212.02 12668044.01 4591162.373 6395751.589 24005598.98 42374632.25 17073419.96 66642356.06 16864195.26 86467445 203123647.6 191245167.4
Leucylproline;Isoleucylproline.5 155317347.9 169132506.3 140871717.2 116907306.4 56272754.7 125775259.3 194349930.4 112034246 138782867.5 148174030.2 291267989.6 302636819.8 272171425.2 336401152.9 338221348.1 275640895.4 247886495.2 295751017.4 295072154.5 272050573.3 372232864.1 248406104.1 161547350.1 119000824 163304591.2 175297921.3 118859283.1 141063687 167807481 197466682.2 251835392.9 374542509.3 262979694.1 416967287.9 270949097.7 242627864.1 252908657.6 274474349.9 353800460.3 326393970.7
Leucylproline;Isoleucylproline.6 190848622.5 216007894.5 191670711.2 159785342.9 65607660.59 168976874.5 238205036.9 164072699.7 172423463.3 187768445.2 313340650.2 366374868.8 288676251 374375505.9 413495274.4 327385853.9 347070863.7 316329719.5 351200481.4 309541401.5 492775762.7 250669244.5 210224392.3 134225261.9 219004246.3 238356706.9 143079708.8 183339737.8 221472020.7 269953745.2 260733213.8 440470444.3 324234774 488428352.9 286310837.3 318295964.8 240671530.1 271265198.3 487137191.6 423051989.9
3-Oxoalanine;Pyruvatoxime 61859.52214 62229.38278 1438.482693 1730.094181 59068.7357 56522.43699 61861.98011 59613.50627 72513.84697 1607.368048 56385.23794 61063.88897 61114.31806 59098.78828 62260.35093 67736.06367 62748.05998 60157.52309 62232.04832 2136.51814 43262.23117 55355.93194 54539.47244 79077.18618 101572.8618 83693.89515 236795.5418 113348.779 154437.1447 217972.7018 665799.2537 562347.1178 385224.8205 790775.0654 475097.1568 277985.023 324793.0899 508263.1495 923295.6173 369936.1357
p-Cresol sulfate;Benzyl sulfate 1911247.996 2820930.019 2597933.871 2405832.463 3696766.861 1158199.498 950310.7634 955905.7992 662695.9472 735619.0931 2123827.717 2228458.957 2642714.672 1436180.155 1933131.63 1064733.756 1214328.16 480612.1465 760454.0609 357099.1321 1931114.938 2325461.432 2078635.454 1027944.827 1872010.652 807703.2299 2046944.401 1154750.928 1100010.066 1861588.989 2430195.174 2842078.016 1658089.586 2958250.865 2595430.557 813490.3593 1576739.383 810157.5989 1779363.938 1816882.269
1-(sn-Glycero-3-phospho)-1D-myo-inositol 585124.8427 419631.5234 604607.4098 916193.2771 573990.1088 817172.5403 620758.2856 959757.0183 808147.6871 783451.2299 87972.6512 72303.40646 145289.3542 107542.6633 154758.1028 76657.7922 100659.4945 95946.49182 103386.0045 91670.23777 80018.30737 322912.6226 243373.8579 256511.0464 303789.2984 293341.6648 290543.6688 300015.9927 338252.5862 443792.6902 275682.1176 76958.22331 78095.91778 79579.26115 92829.14966 109477.8813 116153.7287 114540.7496 111233.5034 89135.50767
Glycyl-glycine;Ureidopropionic acid;N-Carbamoylsarcosine;N-carbamoyl-beta-alaninate;D-Asparagine 138151.8795 115103.6526 105603.4512 125506.7715 129513.3113 246712.1801 90784.76679 182171.8084 255040.1564 288168.5702 96262.02241 205232.0981 185859.2531 129205.5264 196562.0836 413955.002 338066.1544 324441.3864 289717.4362 116055.5149 95711.02985 121013.2624 114326.1185 119310.3122 102393.9279 76322.9908 176573.8799 69998.0585 91259.72859 106143.8955 146866.881 205428.2577 98288.42968 169261.1072 145727.2705 112476.3067 153046.8395 117380.8579 131853.1585 76631.00511
Dihydroxyacetone Phosphate Acyl Ester 199282.4083 133273.674 145888.8946 299399.2703 104059.8572 432342.6357 275254.7367 811146.7518 566339.4898 557461.9892 4105.615216 4096.254782 4139.791897 5394.03048 4909.014149 4192.824227 3898.863748 4055.248227 3646.744154 3411.633324 4523.490791 62091.1765 29930.12844 112012.8177 74368.21527 49098.77488 225149.1339 173065.7658 181103.5961 307047.4303 74033.23231 5091.540053 4005.845507 6245.947831 4601.098696 4106.250687 3480.806696 3940.136402 5652.121962 3990.17552
2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;3,5,7-trihydroxy-6-methoxy-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-one;3,5,7-trihydroxy-6-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one;3,5,7-trihydroxy-6-methoxy-2-(2,3,4-trihydroxyphenyl)-4H-chromen-4-one;2-(2,5-dihydroxy-4-methoxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one;Inosine 2'-phosphate 114196.317 71664.01641 71801.53923 55411.70019 11324.10106 132688.19 122992.6087 107870.8936 107058.887 198712.4452 58317.71286 91201.4235 49925.64677 71277.99832 78043.4128 115909.2259 82893.76897 129479.6237 90696.28211 41638.03888 96155.57384 130812.7142 49960.02482 111105.7799 107352.0959 134422.7153 167920.9801 149626.3676 139860.2009 208805.8114 146139.3977 279988.142 94345.58067 469070.6899 78259.31266 97378.66463 78697.38238 136733.6705 235526.9185 99317.49851
Histidinal 24678.01114 6760.87238 27925.31427 2177.515181 22170.24794 6637.567764 25536.10075 21942.42787 25957.42247 26240.00296 22065.74584 23557.78567 9754.263552 26593.32741 1465.73215 26519.66251 23448.36453 28884.52244 23881.94276 3541.341916 12584.35091 28445.8799 33897.46249 9348.732928 7236.301156 23774.86126 24936.27136 10639.81797 28307.17001 37938.28302 119347.2712 486860.1256 221731.1918 388231.4192 843110.1568 212410.686 93034.14377 317481.1318 668253.1482 762955.4734
N-Succinyl-L,L-2,6-diaminopimelate 43214.88725 299909.2092 69666.19641 155737.0626 1170537.426 67667.62038 40481.49475 36130.15864 37356.2112 43151.82881 43696.93357 48217.5081 44652.62284 46575.60257 46960.97733 46340.45711 104700.4425 46516.89788 95738.01854 89106.12711 47673.56296 44044.86425 39529.48306 38155.7488 39947.4865 39902.45464 39747.93695 40515.00318 42192.49577 42967.12065 46673.92643 101969.7028 42780.8996 58283.33023 47748.09527 43480.32919 42295.47363 48056.39913 51103.25362 48551.67478
Butenylcarnitine 325720.8802 420958.2234 415604.6436 335205.2903 103574.1805 137634.9606 183161.9164 94808.23354 137226.0643 212941.6688 290940.7566 409571.0098 290806.5199 600010.592 509350.2384 210889.6985 168249.3845 215419.012 152281.8188 242477.7457 472380.1602 544593.1679 589910.381 399702.1621 452460.5085 250693.987 255631.1558 301806.7698 263668.3904 330981.6451 651117.6784 716674.4924 366149.657 747026.0447 654778.6598 258641.1298 292434.9155 266258.4654 505314.8598 242671.6011
Butenylcarnitine.2 566815.7058 717310.1113 320648.2565 514511.2144 268939.6505 487622.2606 751039.7469 346670.972 300090.0231 806881.3942 638098.2891 2675085.357 1338728.764 834264.1098 762895.3847 1813963.453 2162949.585 1010063.833 2532743.564 947288.6884 937360.6886 1460798.298 964746.6355 501962.8637 1044686.811 848658.0049 630439.6101 795786.8919 672660.452 795031.5592 757742.7931 847855.6485 981041.2897 1339428.753 950155.2558 766422.4349 533534.0601 838592.8313 1364253.011 785214.2219
Hydroxybutyrylcarnitine;(R)-3-hydroxybutyrylcarnitine 153802.4172 140532.217 51065.12971 94037.77568 35456.43136 89399.69066 123094.5374 46577.1105 63027.7991 92364.0399 106616.0693 140358.2665 176080.2884 144402.4776 135170.6534 255959.4907 206629.7158 126323.39 135680.4157 84190.76144 88072.44115 279879.7439 167437.0763 72583.49782 123816.2761 194458.1236 125142.2513 101056.8087 94850.97131 110684.4435 210637.008 256764.7993 640382.9342 964052.3419 122716.2853 139785.7178 70599.42958 55320.10612 113362.178 230088.8343
Hydroxybutyrylcarnitine;(R)-3-hydroxybutyrylcarnitine.2 161497039.8 171105789.3 77545091.68 139448189.1 55651213.46 136616607 176809959.9 83305580.75 84939605.49 126256404.4 153343349.7 199853567.5 198620144.5 190081958.3 96560647.36 202144013.9 254814153.5 187040035.8 261007353.5 109844557.8 234306889.4 292904715 172223858.8 96034103.19 193857110.9 239225860.3 157042214.5 135779005.1 138463894.2 163478448.2 242075409.3 267230059.6 215610512.9 310616918.1 171599790.4 177068165.4 128419251.2 196048967.7 249961919.8 191798543.8
Hydroxyhexanoycarnitine 870973.9876 907280.911 334158.198 1067197.711 475870.9649 1358431.682 1046184.327 770617.8688 907422.6685 1001000.318 625862.8365 1240279.677 2982159.404 1462941.338 508530.0505 1679238.543 4129389.68 1486661.794 2769025.334 688701.9827 978896.4389 3882225.399 1330377.171 1974655.804 2727843.128 2138418.97 1976919.268 1125129.761 805684.874 1943470.436 1179851.502 1865182.191 2136406.175 2828899.01 1631269.201 1088299.321 525371.4094 1636886.015 1825877.537 993130.0863
Hydroxyhexanoycarnitine.2 9620223.914 8028104.753 5391353.798 4584456.825 1987269.693 7167874.623 9913743.259 3016065.877 4506097.642 5731864.575 4452364.518 8988700.413 9315092.49 7467052.237 5018063.721 11320124.87 9442651.495 7813535.641 7344748.168 5324419.973 7161377.253 10877448.42 4618556.224 6246263.179 9223559.743 6166111.991 9412084.919 7106018.875 8822785.181 8841662.963 11294793.23 11376830.38 7016963.507 13907472.04 5686179.556 4395898.779 4245911.832 5790938.162 9016207.207 7994815.871
9-Decenoylcarnitine 965554.6712 1060107.59 1341092.446 1078813.011 431658.0312 1148406.975 783449.2245 376044.3865 151834.7615 216450.9841 592427.3028 1191888.753 52604.25707 345522.2367 641343.8067 1014281.978 568853.014 1545149.573 938621.1331 470506.443 1888031.324 1687216.688 664734.1919 190813.5939 538622.1067 956370.5243 463213.1453 269616.0763 939607.8691 418553.6876 521225.7085 661644.3761 227538.5807 2849297.613 135845.1513 1028704.95 798658.5037 741400.2305 489340.0934 864161.5326
Beta-Citryl-L-glutamic acid 622698.7539 1324072.625 186046.8205 645480.2525 1747705.089 141844.9496 132645.0887 122420.7665 103116.0866 135469.7163 85960.74419 92946.7174 152862.133 114427.5737 73205.19476 108950.109 100313.1443 99463.75415 115088.8007 206392.3449 113378.3322 99971.13057 116606.2391 82743.02329 101028.6598 55542.61215 91790.10169 66451.43225 104437.9639 85242.45467 143544.2525 81266.18848 46608.21389 84820.3222 92504.04068 78120.03451 26602.54884 65383.63851 66809.07503 79714.64837
Beta-Guanidinopropionic acid 1843.829665 5706.020744 1332.641749 1570.528007 2101.461456 1851.665763 1957.56112 5497.119223 1617.874433 1917.391403 21365.28011 1012.065225 3240.608471 1035.359293 2895.565621 1356.293629 933.2681431 2215.66133 4169.744321 1290.686031 3970.089569 1766.709933 3971.597177 1885.423489 6789.976542 3201.461403 3691.651993 1566.46497 4333.09474 5128.413593 4412.503821 7026.260693 2185.638823 135863.6259 1290.173541 3135.681357 3589.625068 3754.413868 3340.62235 2602.194033
Beta-Guanidinopropionic acid.2 208.3208474 390557.7611 218228.5153 97476.58668 213.6465174 202.2230394 205.2655703 3386.2102 35344.37976 9094.244851 200.830162 29486.92453 209.0603153 55265.55279 56516.25929 269865.4706 19752.57005 15407.53985 46946.46158 211.7344207 199.5769447 4086.385129 208.5843719 2333.170306 1117.90262 334663.6366 57442.13439 1704.714871 106436.2408 1977.082857 199.503443 217.2003766 38055.20318 195.4546829 101558.0449 5163.447755 319048.7567 213.9971211 207.8931608 207.3309738
Beta-Guanidinopropionic acid.3 11939.26335 13305.69583 10278.01901 11606.54635 8592.546108 29619.28206 12492.61328 9973.465953 10783.07383 11881.37924 10313.64305 12731.97558 11925.11128 12146.52501 10736.16339 21757.86005 11424.33168 10307.43295 11165.42685 46800.47925 425944.5293 12697.63183 11419.86388 11340.50394 12345.26884 11249.43586 22661.81029 13221.58426 12574.80302 13137.05686 14485.248 12678.14302 12088.29252 15141.32514 9601.973354 16200.69066 24824.07717 16088.69002 14228.42372 11616.43852
Beta-Guanidinopropionic acid.4 12246.36535 248005.9447 27584.56631 23375.51443 21631.08493 74608.86032 549.5870474 378638.4703 837.9871596 32570.56331 25309.18085 60145.60814 120159.548 67753.34914 61914.92535 18168.40093 23718.33913 1653.048625 245160.3205 104.0200986 185.569 25411.51914 103.0122456 67765.92167 117503.4547 85618.89824 273815.6804 62517.49921 67022.26601 32142.04474 59822.73211 71249.25053 29269.05879 1234.244709 40660.40421 172292.3706 100.0783041 52441.78269 224.6583802 64478.74802
Beta-Guanidinopropionic acid.5 44555.20889 101546.1862 30685.58266 281122.9152 61509.8349 37557.75649 252.7799043 52874.02923 110963.5578 29153.63574 44540.5128 39840.42932 54473.79788 76264.08138 32809.03734 49843.00451 22567.44452 111092.8588 21196.77222 235.6308095 245.6794037 518026.1569 28518.78669 2439422.06 52323.5391 244588.7555 33286.13287 111088.081 87335.49343 1103642.025 35622.19828 23695.33627 30377.92048 249.2199077 13552.65505 177832.7268 77613.50553 23454.32406 238.1885873 90444.28708
Beta-Guanidinopropionic acid.6 169228.051 66997.67636 67533.2464 71808.58466 27446.44675 83412.82333 94213.61037 103203.5238 67337.41796 228358.9628 67462.09556 47037.9299 51007.71162 50223.59753 216580.2907 114340.9315 44660.61184 65927.43086 115611.6444 67506.76459 88543.6725 56360.64948 48340.76033 73184.99846 145389.216 102215.8753 53621.7066 48686.78621 92435.37221 80651.13698 75331.69126 94045.65284 49916.68853 174673.3918 45988.28071 57155.535 62055.00814 44857.45169 78105.55355 563687.4368
Beta-Guanidinopropionic acid.7 377984.4222 308559.2166 414485.6773 172957.7594 25797.75626 92152.50403 295.1746817 30742.09016 264194.633 91132.26286 50498.66956 165322.8243 62545.75523 358453.3927 113232.2448 50448.81791 85182.56469 3610.826667 648617.7562 290.4332768 285.2683474 76274.25765 277.5574096 110500.217 6817.562684 240782.1037 325992.8019 161442.7567 69820.38502 120277.7208 34237.89023 190605.1534 85415.23927 573.2463175 207095.772 222313.5075 197764.0938 60264.51232 288.3883635 40557.49286
Beta-Guanidinopropionic acid.8 91448.93578 84169.28787 73213.16831 69850.26569 93034.09919 170786.638 102609.1913 77286.95898 77978.44577 8763.558788 67272.66777 67358.63742 93418.68964 114465.8402 79027.62179 96376.34266 75623.64572 97146.8093 79091.1957 363893.5516 9441618.595 90162.02877 96705.91521 70654.68577 92455.93913 94650.49173 366811.8432 77476.95219 77300.90749 72640.14803 50117.71793 16358.95699 90797.19135 163170.4163 94419.51545 102714.9829 99365.29974 73764.47608 94273.74584 79715.23709
Beta-Guanidinopropionic acid.9 106598.3311 424493.0316 89462.83946 1086837.97 85365.16633 78613.83569 63530.05118 343709.8886 120988.3169 2738228.123 101356.4649 98609.9528 122314.2464 89470.72725 107064.0432 1257082.157 145179.2236 329131.2348 129755.9141 128954.5379 83734.35556 248391.3178 125709.6791 2185955.267 137117.0179 209395.1873 206859.4412 154926.7619 267017.4211 1735948.458 115132.4349 176888.4996 57944.4655 232813.9669 160009.6436 426560.4367 109086.9232 50785.37006 49293.1761 313258.264
Beta-Guanidinopropionic acid.10 142299.1971 130539.2941 126793.8578 139590.9176 143673.271 132469.769 639834.3927 130623.1526 1487954.976 9486.792209 115932.424 108056.1067 145062.908 2016734.871 448282.4155 1509624.477 117857.8804 543333.3299 612624.4766 2362890.228 944077.9039 136241.1075 162144.6098 120097.3084 307241.3386 1541220.723 113247.6863 172365.4212 175091.1429 130897.897 70501.26026 25310.20481 146071.6719 1015014.913 147256.0806 176448.1595 4267838.131 122211.8928 520024.828 1235515.583
Beta-Guanidinopropionic acid.11 132170.6227 177260.0655 352602.6633 189807.7979 61092.22739 174323.1908 267330.8819 403896.6261 194876.9505 155469.6005 163534.655 119012.3789 411356.9282 124343.5111 550069.2905 295913.3517 121037.0799 184162.9272 110782.049 161956.9678 218402.8309 134538.8566 136256.6266 313751.7826 223521.5181 227248.8443 440401.666 114348.5908 630522.915 160445.5442 176959.2936 205776.3567 107424.4856 463708.0784 120598.9767 134813.4595 163268.4002 440155.581 223756.0047 158255.9641
Beta-Guanidinopropionic acid.12 178088.6814 347259.1429 331165.4379 277442.2718 100903.5106 242810.8137 346149.7446 295532.8221 338181.2336 227498.3158 346497.8794 169620.0896 495543.9892 184154.8793 283076.0863 384790.1274 177380.117 692184.866 199814.6156 253561.0458 357076.7267 219587.9281 161208.8613 753846.3408 286473.3105 386278.1406 1242812.024 153677.8861 418662.4636 299604.7237 224509.9794 3740673.908 125341.1059 746004.9973 177345.8286 193044.7581 191756.5603 166064.792 342983.4847 236864.4412
Beta-Guanidinopropionic acid.13 192388.6348 151114.4273 305324.6258 264015.4776 184907.1569 213342.98 411303.2949 1848227.253 313833.4876 1684300.312 1956525.796 158802.5917 350679.5272 224994.598 297215.0652 661788.8947 167931.7639 331682.177 244490.5465 289751.671 2760129.38 202790.3187 157354.1438 9779572.219 274394.1451 325270.6718 211541.6062 155631.0995 456712.6658 336492.8705 271380.456 328580.7159 108399.7302 732332.4683 549760.79 181996.1906 236501.2412 162150.7972 305544.5757 561387.2804
Beta-Guanidinopropionic acid.14 210458.5133 676011.1433 370289.6545 332375.7386 110822.4672 227217.3723 1849983.229 2287744.313 335985.8845 317708.4275 1082485.317 182289.9892 234674.0507 242742.355 879585.8851 633400.353 181776.7685 379451.2204 163890.252 294550.1907 946044.359 232357.5238 207998.4784 365549.2381 301430.998 337318.4532 1399445.609 195024.6637 581691.4521 310739.1835 319616.4078 410905.4288 143017.18 736302.9614 237809.9262 203646.2849 294853.3633 250413.1058 343114.0235 299897.0061
Beta-Guanidinopropionic acid.15 124595.7922 629777.1873 527775.7079 600962.7654 188484.9029 367771.6089 666030.9341 3022296.288 631765.8419 5321270.437 1338621.148 305442.2417 347831.4134 574217.4801 562073.555 500822.0283 299862.3907 609919.4313 405662.7455 502949.7538 983772.9432 406227.7342 309161.7307 1824975.796 528346.7587 587854.0011 413329.8012 321392.5783 1140474.187 470086.6507 570431.3885 584001.7125 238360.1688 941323.511 495305.3606 126038.71 590732.0625 359652.8909 573641.4189 605206.0064
Beta-Guanidinopropionic acid.16 906481.0788 1975640.252 1527522.466 1412479.565 445996.8348 1013312.266 1917506.399 5799358.356 369007.1873 4201943.945 3958155.33 828273.3792 936390.8773 429328.256 1428001.076 1848299.209 739987.9083 146764.07 1471601.77 1270170.571 4041093.339 1138494.251 858728.3077 1760809.139 1348441.85 1732746.846 122605.2082 803293.8352 2846596.143 1288235.103 1427764.539 1408734.1 579648.0693 545732.085 1162679.583 1209468.399 110720.449 923965.0424 1566134.716 385155.4344
Beta-Guanidinopropionic acid.17 1039769.13 1752621.489 2152131.804 1513091.934 306808.0178 971312.3525 1964045.693 6627561.151 485639.6863 1566110.478 1217752.942 908800.7254 1116645.427 1757018.771 360580.2951 1448148.654 811981.1492 1601054.339 1658113.634 1983906.026 2242336.957 402112.0623 1162079.99 2097785.547 285944.2963 1931341.615 1394261.783 319552.2584 3344126 1467213.579 174038.3039 1682904.038 617532.4459 3386096.753 246169.922 1174005.67 1177108.795 1262351.475 1732307.523 275686.1938
Beta-Guanidinopropionic acid.18 2129318.696 1415107.675 1318849.225 1225879.271 1336900.006 1049722.649 1555256.225 1167629.573 490591.4732 21094.18214 1280592.76 1032915.513 1385600.733 1353038.569 1491624.46 1929055.011 1414259.14 1458518.332 1871607.142 2138199.75 1746801.882 1151486.759 1886055.289 1627165.287 1247873.569 1863161.833 1221039.978 1086538.906 1252692.122 1335932.871 487530.1289 54484.85094 1568874.888 1423127.72 1564621.017 2175749.792 1671508.545 738482.5249 1231688.065 1235710.794
Beta-Guanidinopropionic acid.19 1260517.376 257761.0771 1950463.12 2796102.015 610292.86 1425292.438 8171282.519 13221343.49 433200.2331 10711330.85 2538266.823 1103467.128 1534706.936 1790651.972 512235.5423 2205948.142 1064827.733 535691.1341 2026491.217 1881804.021 7104224.688 1999203.206 299127.1932 3000993.34 589899.0504 2712427.93 1802048.259 1161713.304 4182424.518 2298253.307 2010082.85 3563598.644 198496.9504 592416.2822 2198322.699 1782083.016 1580208.468 1545055.231 2238815.137 2027300.418
Beta-Guanidinopropionic acid.20 1686952.701 6324995.002 10772884.67 4036740.411 2051522.095 2527572.291 5009026.952 17367910.01 793546.8846 1712154.459 1498533.477 816361.7497 7383846.614 4794560.324 4388501.162 5887705.349 945553.785 4388421.045 6775494.802 1024239.657 2319584.337 5794537.096 3681330.121 5793923.362 3032903.475 5568244.473 1722143.277 4139730.203 24892778.49 4429198.161 6133722.672 8846455.702 1454844.676 10354801.48 5300567.524 729478.6132 451753.6327 1253808.907 4267077.019 5968689.646
Beta-Guanidinopropionic acid.21 4279348.402 726782.4409 10528381.07 7297461.25 4801529.812 8911291.584 8656692.198 8517832.788 8378946.114 3917855.987 6566456.236 2259840.998 9026743.298 6118531.472 6064091.431 6177656.823 6424914.471 24866555.67 10219422.96 4876117.897 5956558.255 3041312.962 7073853.158 10321440.64 5462268.299 15069102.76 5425164.647 9039609.586 27152125.63 12571282.81 11557793.21 6873576.716 8810235.816 19039143.14 6827473.63 8021929.687 4852115.763 11128824.07 5320093.984 31089393.84
Beta-Guanidinopropionic acid.22 24344631.44 20054064.82 29777366.36 16977428.53 11189867.64 34809779.83 21866110.54 20767125.59 78032729.21 22457251.76 30273056.53 14952176.55 22228602.86 79036752.1 12588785.98 17750619.47 12386441.23 21719608.64 44525491.86 8877814.803 16832216.97 26212364.41 16450032.57 24129530.11 13293153.6 40640605.86 39887908.73 24975931.56 109428870.4 31381237.09 32072598.13 15572221.68 6285772.908 27255938.06 93055571.7 25375249.69 12496449.9 18622314.76 64743846.52 108991054.1
Caproylcholine 126075.9464 413941.3902 71658.42549 374825.2203 392593.7826 500799.2319 1454523.985 299368.3423 232243.5117 742799.2823 476500.235 584291.6765 2910222.011 303337.873 95358.75644 302761.1286 225995.7728 839701.571 1530744.103 1495415.794 187862.5472 91538.32093 193570.2122 265305.3182 279759.998 163482.6198 338694.1995 177375.5233 201493.9351 138641.1738 607344.5681 221374.5703 159428.1374 287562.3969 49421.39446 139879.1913 243260.0087 111485.0976 497927.8653 392534.5426
Heptanoylcarnitine 394046.0248 489101.9661 190372.8041 514825.3556 61294.69774 353802.1978 295616.0415 206400.7188 466066.0481 289778.8648 211835.3256 138478.93 85000.48729 530680.4811 324434.2737 360038.4322 266187.5131 303140.8273 167138.053 260319.1664 511816.8756 715864.6331 308303.5348 213785.6129 319053.3464 425885.1874 436141.6884 180153.9024 419513.0785 672632.3967 632918.3622 292409.197 139871.5053 571304.2474 323481.5695 218526.6529 196474.6811 238013.4812 311555.478 536894.2415
N-Undecanoylglycine 1825837.973 3187911.699 664280.132 1228445.598 1767307.218 1088403.692 392775.2618 1089224.844 478756.6968 246256.5967 449526.1997 927534.2858 333650.7141 193215.4124 725503.3302 374081.9498 384072.8555 1132819.978 523366.045 994583.004 646153.1317 639558.0975 430491.704 365129.1415 260712.0216 495211.5947 360094.8783 375525.5906 517150.0835 338154.102 530785.3073 607699.3421 327727.0792 738672.9705 291550.2695 555638.4511 317853.7618 307314.5346 527770.6856 353117.5266
Ne,Ne dimethyllysine 3850716.091 3395390.407 2910209.462 3339271.888 1421170.273 3846349.802 3589849.405 2789422.188 2822479.141 2688090.083 3350664.118 3985410.436 2982663.033 3820256.065 4064514.3 3823577.271 4418354.035 4393163.313 4369116.447 2957941.788 3793795.441 4013615.506 3198582.552 3265649.288 3465451.41 4014441.833 4640604.177 4112489.113 3514395.925 4262369.856 4773801.315 5221433.346 3256342.332 6022961.238 3604551.509 3747168.84 3677715.842 3734541.98 5349265.677 4949389.649
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate 580226.8461 507240.9045 284816.1212 466764.5687 1083468.891 238082.9411 214638.1037 286579.0558 323975.5431 156177.4236 153147.7629 104987.8781 128150.0365 149121.221 160451.7025 126576.2548 139800.8032 179057.6833 165098.1686 183004.726 344891.0593 382908.4558 315824.8691 248128.999 259105.9222 189712.713 588754.9001 102746.0655 263404.7682 113674.5833 213924.5428 200847.8664 86549.36796 161662.4459 85127.3812 128087.3052 75958.65935 128203.0896 60324.81721 240477.1216
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate.2 1668768.745 2006148.15 1161730.364 2105956.352 4849495.844 679637.3202 714152.668 1028406.511 1023984.346 503911.1537 577445.027 440761.8851 595992.148 697778.3756 498358.2457 497379.4323 498963.1578 496524.431 538973.0052 684701.5992 944837.2016 852657.265 849245.3343 816605.5438 801358.5469 663697.2415 1848098.268 469342.6574 825094.2318 527136.0659 848822.0047 699799.4896 467381.5707 595602.7955 518170.4012 541668.3578 397534.3782 504641.8182 432588.6173 744334.1166
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate.3 1356510.299 1565089.483 1008258.367 1280543.104 2425710.601 755625.1039 765492.4616 940151.7899 919298.9012 764031.9987 743464.0696 706383.2899 778300.049 941183.9207 612713.6347 831338.3826 807969.459 790152.6808 739569.8874 621365.1338 936998.3288 743018.8824 869378.2667 957165.6689 919066.8089 799507.401 1092244.892 711969.3761 866417.5324 834830.3189 809154.6121 710598.7211 695323.5897 1009125.92 740727.8782 642476.8413 705982.7029 674618.5657 620785.1793 730778.1753
D-Tryptophan;(±)-Tryptophan;Ethotoin;3-Hydroxymethylantipyrine;S-nirvanol;Nirvanol;4-Hydroxyantipyrine 59179.00923 39230.63397 216060.5734 220021.9445 2571994.426 33316.06473 93078.24002 41231.75984 50863.39246 19615.34647 19153.32769 171661.3332 38677.46992 60674.42502 70770.30362 145134.2105 125163.0452 26690.65622 52474.78629 308220.144 443467.7085 481855.7585 1664035.699 62995.95126 46397.15266 52453.43073 17684.44243 58608.08438 52062.3375 22566.06104 17548.73236 33283.32965 31520.16985 325453.6206 14654.34007 15561.50889 15467.30397 19256.07505 51960.018 19283.72855
Urolithin B;2-Hydroxyxanthone;4-Hydroxyxanthone 593747.4616 530118.0575 489707.8072 564266.5585 234076.515 512057.6261 542207.5296 514887.8625 530853.8918 632121.2733 518821.0513 551506.7405 507586.435 519748.5021 647817.5405 462346.0496 451644.6871 539197.4679 449440.4277 420748.6457 662073.064 716196.7402 547480.2158 510901.0886 614710.7743 547997.7492 476387.6073 548037.4231 627948.614 726190.8324 905481.3326 634387.7209 572514.0577 871450.0776 600028.0948 534991.8427 509071.9174 500264.4626 617015.0395 623458.3298
2-Hydroxypyridine;1H-Pyrrole-2-carboxaldehyde 3560135.192 3723587.667 2878328.778 3324739.503 6929078.845 1428416.05 1531779.096 1576827.198 1475201.983 1079434.792 1176182.427 1045762.255 1387577.079 1606526.194 1080670.68 856936.0958 971024.6581 1065040.432 1259163.85 1062294.415 2009587.807 1570516.347 2006686.057 1606794.142 1506678.924 1236161.755 2158046.547 1149386.61 1573783.901 1273591.012 1439967.503 1405101.55 964890.0928 1170416.499 1418898.077 1347743.212 1217745.766 1316116.148 1063250.996 1179909.506
1-Nitroheptane;2-Aminoheptanoate;3-Dehydroxycarnitine 1718676.439 4173930.77 461489.3461 2255134.201 3826462.537 1843824.039 1136494.73 476957.9186 720654.4871 1085394.899 1962272.331 1327579.467 1187164.144 2435956.559 1954360.366 2431680.457 488634.9188 573415.0518 2652459.301 2144090.899 2430441.853 1856649.995 3519429.55 936241.2358 1635515.781 1276416.889 1058554.703 1280971.802 612330.9845 1596747.751 1519170.71 1920366.334 833789.7388 2398245.575 4434160.216 1182587.3 590630.6347 1564069.484 3189486.198 3680326.848
1-Nitroheptane;2-Aminoheptanoate;3-Dehydroxycarnitine.2 27130422.93 27120097.2 27772783 22866999.38 14766790.84 25578454.06 30342196.33 23696533.18 21253120.42 25617273.1 21700164.25 22520841.92 18919176.59 24018939.98 22009573.5 19184024.29 21988690.61 22002441.34 26796286.99 20059571.25 21812351.54 29752757.97 21108425.86 29808960.85 22912821.53 24663215.25 32351853.96 32120708.1 25336398.59 25739429.78 35337864.11 29501545.18 20986961.63 26859009.13 21199791.3 21193239.77 20624250.76 23210554.53 21082516.25 22654683.04
p-Chlorobenzene sulfonyl urea 1526592.734 1960302.85 2295601.222 1796924.933 1281426.712 2198841.509 1468923.275 314068.2742 2314562.508 1804465.701 2561730.53 1638696.993 2634195.287 2258395.763 1856300.693 1738309.94 2103136.246 2702891.852 2191123.426 2168417.688 1736475.838 1672851.492 2423495.416 1896532.679 1981840.018 1627885.087 1715315.821 1298661.991 1483102.084 2068589.327 1373940.343 1872103.15 1662257.598 2528357.999 1779796.903 1827365.572 1938386.759 1440693.843 1500171.076 1906389.978
Trifluoroacetic acid 5930008.818 8039647.028 5548379.364 10465792.14 8417643.35 5370363.405 6558191.247 6282752.53 6787719.404 7208785.211 5203704.98 5494394.403 5673725.762 7216356.692 6446405.638 6094967.162 5714057.049 6372897.854 5396410.219 7113382.538 3279388.636 3245607.821 3669971.943 2825211.065 2273012.658 3046489.172 3715215.257 3529875.538 4654947.7 3542293.719 4910491.427 4114471.056 3864062.796 4255370.463 4911175.612 3720486.386 3453723.94 4280188.496 5679439.973 4806276.12
Mexiletine;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;Methylephedrine;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;Methoxyphenamine 2223287.291 2055167.05 2164660.735 3531962.782 3792172.725 3155793.134 328087.6358 3445917.483 3166791.592 2209515.97 1630067.225 2422387.984 233030.5637 3493059.273 3924051.803 3479052.74 2087083.19 3759521.575 3678561.609 3995822.738 464541.3218 3497311.63 1300955.142 2313459.255 247251.0912 2764014.774 2945429.028 236292.3881 255432.7012 3474223.507 1606090.922 2242837.171 2618006.315 2107803.211 1765124.083 2487856.344 2774920.291 2870460.031 1853384.811 3108799.03
Mexiletine;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;Methylephedrine;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;Methoxyphenamine 9312070.809 11859996.83 7431387.124 7352590.826 8218824.903 7356001.188 11647369.59 10106978.07 9178597.095 9801725.713 8244133.465 10847985.14 10302333.71 6962404.495 5759402.699 7105088.605 7394345.386 7931476.902 7006076.207 7349905.104 11962123.76 6421419.952 6976567.27 9512322.234 10689355.54 9422935.487 8559718.688 10913304.74 14101408.03 10223191.85 7304641.598 6127705.066 6994573.611 7135140.52 8118075.154 7155505.477 8365642.445 7573430.674 7942133.955 6543587.259
Allopurinol;1-Pentanesulfenothioic acid;Ethyl isopropyl disulfide;Ethyl propyl disulfide 13961173.39 18418184.48 11574826.04 12473766.31 3108087.999 19997128.7 17590474.49 19649265.12 29087798.32 9278128.091 10665060.3 14195826.18 5557065.74 9893120.068 11560700.83 12712846.44 17542307.65 10821423.98 11080208.43 11107660.51 17820539.86 23823025.14 11892517.22 36559872.53 23885879.32 16412883.48 33887655.65 29394182.94 38389855.45 43852655.72 25787894.91 15978103.46 16119779.61 26348522.38 7428295.918 11149011.99 16490702.87 16652722.07 22967558.6 25263783
Allopurinol;Ethyl propyl disulfide;1-Pentanesulfenothioic acid;Ethyl isopropyl disulfide 4020069.224 4876460.721 9740057.534 3391165.952 691528.5062 16721897.12 8971035.048 14738136.87 20482767.91 6007957.817 2574609.006 1646683.047 4470776.604 2674432.665 2418701.612 3144276.231 5711549.128 10255619.05 4456011.76 3766274.569 1670205.241 3277463.446 3361661.434 5066820.03 3729398.851 6669827.238 3112196.126 14634982.72 20173181.53 9383203.952 2109058.486 3508944.46 1746111.257 2300269.938 1042710.018 730613.6488 849251.67 1644200.032 1354163.458 2030546.944
Acamprosate 411771.6959 291567.7314 371460.2024 368757.8278 111381.7009 460240.7179 395025.0058 510629.7742 551979.8549 1002263.931 442770.9403 277383.0605 641770.4297 391689.5426 301944.2569 584197.3335 487671.8992 510565.5017 517433.4832 411826.5931 128124.7675 172448.9586 132115.5341 104873.4693 182175.02 120798.6532 123295.1416 100284.0391 159949.6853 389892.5385 23058.30643 65386.88762 3338.956715 53587.01631 34787.8967 9645.237654 5477.204862 8442.219898 22151.8176 16065.55173
Methoxamine;Isoproterenol;Orciprenaline 1657075.275 1332319.534 1332358.067 1460122.599 1703217.416 1470537.369 1801113.295 1432831.649 1554107.315 1262318.992 1156566.082 1216699.296 1269238.307 1147905.726 1025286.653 1050349.051 1023892.068 1114401.989 1103452.884 1260429.367 1445261.652 1080957.532 901619.2505 1363854.482 1206868.266 1408703.704 1358373.708 1130834.215 1583094.167 1394308.227 896139.821 1240534.704 1051223.848 1392027.085 1671511.317 1454630.712 1773045.293 1504130.185 1557542.951 1421115.122
Clavulanate;(S)-alpha-Amino-4-carboxy-3-furanpropanoic acid 1485702.946 1671966.582 1317015.102 1425639.687 598623.4756 1752606.579 1634529.554 1638532.843 2281494.22 1408009.465 1028437.524 1627516.778 852816.4112 1256260.231 1273510.826 1629697.296 1681851.465 1396214.714 1167725.208 1345213.592 1253842.073 1781805.708 1300612.961 2695756.253 2136999.878 1619724.231 2325683.889 2292901.685 2643875.908 2696203.308 1717900.715 1402310.248 1204537.598 2282968.551 923678.9991 1009322.267 1350621.887 1147436.343 1608139.108 1936726.302
Phenmetrazine;(S)-Valerianine;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;Mephedrone 346567.9256 291103.1172 258964.3957 248093.9838 954118.6053 152153.8894 260167.5398 228735.3566 1789169.861 350737.4987 1578802.065 336613.8257 753795.1242 1609586.15 164242.6652 213359.3147 902319.829 250422.8857 781913.4335 106991.2278 140940.7999 1244924.482 129769.8343 293566.8276 287361.45 158012.3013 308025.2621 219653.8961 303505.4486 602184.0584 736933.4128 973719.8015 859154.8155 182875.4093 674445.4794 478388.8243 269299.219 151755.4954 198258.0884 219818.1638
Phenmetrazine;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;(S)-Valerianine;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;Mephedrone 4854664.617 4740309.998 3787280.201 4430453.821 4438295.156 4531097.304 5417153.3 5768516.137 3446133.471 4252906.489 4899076.373 6494579.725 4486411.159 3583636.587 4885915.766 4434956.486 2611476.651 5134340.812 4059503.626 4429407.784 4953039.442 4121455.493 3560406.086 5241601.758 4145619.73 5820032.325 5544189.981 4705776.474 6224604.481 5225401.114 4169240.717 3038612.769 3486557.986 3937101.31 3430319.574 3371337.011 4464955.572 4168482.932 4254025.967 4109588.109
Pirbuterol 3136022.803 3756361.561 2235304.585 2239084.853 1108594.749 1854614.693 2795441.014 1588213.508 2110059.701 3577286.048 2726673.225 2933180.196 2105615.42 3360315.377 2786997.25 3273200.788 2771766.422 3428324.876 3400618.36 8231011.173 4050149.248 3770932.595 2275749.91 2217878.817 1793500.364 3251312.737 6381740.726 1565166.132 3477888.097 3401430.123 3462887.277 4110708.997 1734353.503 4066161.663 6092645.599 1543904.383 3353676.84 2459923.419 4231269.676 7638173.265
Pirbuterol.2 5797502.736 5118824.139 2237000.924 2255412.777 2000094.49 3860832.627 4958614.393 3319429.344 5238143.529 4148465.762 2082067.321 5098006.294 4727934.186 5092485.245 3203866.85 3824480.903 4849735.018 2880231.444 7919753.153 10184938.34 4794419.322 6039613.17 4503579.452 3869768.687 3242701.438 4858156.439 12124613.2 4614090.782 4819068.576 3766769.942 4840199.608 6866406.617 3791032.545 5082393.106 9958053.26 3471148.369 5986519.961 3862357.759 5537283.946 14598949.73
Pirbuterol.3 5460975.98 8094854.341 5572808.472 6008316.673 2228671.383 4753816.376 7823933.119 4416690.805 6116706.153 6461117.665 5504826.878 4913580.52 5416160.871 5540229.522 5129832.903 5565330.527 4374297.959 5454416.012 8075155.734 12169503.39 5550717.12 6850851.886 6148983.842 4042466.023 5781025.968 5803633.354 15090777.08 5481730.228 6918665.579 6370647.01 6706162.478 6536669.014 3753282.176 6107697.493 11040312.81 4437809.435 5694637.526 4919416.831 6090633.414 13684050.04
Glycodiazine 6956046.527 6353665.316 5925651.996 7163698.172 3204112.997 7185662.375 6978088.435 6617617.218 7186053.257 6115368.93 2785160.711 3445465.201 2886615.724 3254081.737 3257044.392 2518512.348 3070444.443 2882559.732 2791188.699 2344787.391 2190872.554 6194056.298 4445416.51 5437141.142 6055176.118 5234197.412 5481146.672 5882254.353 6042113.675 7316457.826 6309055.823 2758887.788 2291710.262 1788073.27 2213859.851 2301096.834 2167466.325 2439992.24 2053156.557 2444435.48
Alanyl-Alanine;D-Alanyl-D-alanine;4-Acetamido-2-aminobutanoic acid 1044754.182 2369321.674 560847.2628 1016132.115 2110862.042 739455.6665 747405.1474 676974.2519 655212.0752 678486.04 435792.4167 437860.0261 365500.9743 536919.005 491468.8947 596816.9417 714518.2935 661380.3837 723677.4669 690099.7363 653511.3743 603304.1484 439295.4555 230306.8274 419714.7926 511571.0606 476413.8116 345675.9042 706371.1958 541500.2502 747023.273 421213.3655 499136.321 364886.7219 525997.1571 638814.9095 690252.5758 678744.5755 573262.0077 527732.5706
Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamylalanine;Hydroxyprolyl-Serine;N-gamma-L-Glutamyl-D-alanine;Serinyl-Hydroxyproline 540122.2058 627791.0443 496759.7973 583052.1725 319225.7344 521430.4141 465072.0037 391450.1415 386250.5625 497726.4366 551432.0549 518826.2317 675449.7483 518932.3174 540273.8365 659612.7595 991027.0475 564974.3798 744584.1827 494433.5926 694560.8987 912030.2608 665639.4113 488659.583 651785.8489 553355.7015 394975.1876 678196.2003 477898.5097 485374.8356 26014.82988 86019.71799 3235.772771 63349.13548 51887.4645 10868.77873 3685.56866 8286.346474 30029.8076 8550.413028
Alanyl-Histidine;Histidinyl-Alanine;(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin 747797.3729 608571.4958 526016.441 675405.7009 331093.6131 651312.0184 866253.4201 452963.6879 579990.1899 837723.2005 561552.8467 830787.7354 750789.3109 491334.1016 544065.6583 805750.5657 1119035.881 732908.2395 1075356.638 636873.7624 773284.0272 962062.1399 598883.4694 934293.5719 868914.5834 868318.6383 839415.2847 1028326.734 693051.7777 1004938.178 796451.6 798505.3402 679822.8297 823240.1734 734629.7333 605882.7499 720991.1214 796055.666 798018.542 945271.1024
Alanyl-Proline;Prolyl-Alanine 866129.5233 858285.91 764640.8494 703633.5408 281743.6486 1037360.867 947834.8565 692821.1991 992176.5503 685266.3012 681161.4209 767575.0253 763320.6488 731970.7352 581308.428 978217.2791 893459.0343 748167.7942 812436.9026 1278130.941 529281.6038 642540.5382 673845.2021 891968.9183 639636.9824 888905.3296 785832.8848 1276617.862 1281238.382 1346143.723 692855.1524 527140.1751 441686.8916 472579.6452 439627.3705 538515.9516 538519.6176 505124.1598 600088.927 571805.6876
Aspartyl-Aspartate;L-beta-aspartyl-L-aspartic acid 862231.0604 899006.4679 656979.1397 780935.2505 644357.175 726495.1624 685639.5216 769333.8451 733172.0646 700466.2916 641189.9924 760528.26 684848.1255 683067.7557 718326.149 704249.7046 634180.9716 624505.1102 581719.4024 738840.3023 592580.6575 635023.4418 531577.7577 574683.1002 571946.0984 637493.8723 612677.2209 623329.4371 635037.5935 664870.0166 703104.6934 644158.5358 526324.192 631391.6585 603045.4096 635983.5752 581392.1985 549779.31 641528.1543 627308.9391
Aspartyl-Proline;Aspartyl-L-proline;(2S,3'S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid;(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole;1-(gamma-Glutamylamino)cyclopropanecarboxylic acid;Prolyl-Aspartate 4982914.748 4771591.11 4175900.81 4079089.407 1908862.874 4676074.649 5485715.238 4458521.268 5065592.199 5279357.196 5591217.677 6420261.088 5638781.24 6434646.728 6634949.35 6221847.047 5811055.912 6542492.883 5802349.235 5703706.718 5868750.083 5407885.029 4190275.838 4003289.334 4821217.609 5325827.902 4438439.24 4548703.731 5353323.938 5550278.382 6126063.695 7231515.618 5053345.978 7479676.433 5389641.573 4876729.919 4872302.754 5261988.468 7092337.629 6608774.74
Glutaminylglycine;Glycyl-Glutamine;Asparaginyl-Alanine;Alanyl-Asparagine;Glycyl-Gamma-glutamate 527427.5761 385614.8974 527373.032 332128.8937 383878.6802 231437.3941 231018.15 177964.4732 201859.1064 333771.0473 556804.8734 242033.702 1337249.545 417475.4206 461852.4019 904663.2388 1584141.605 1143580.469 2025179.565 483986.5909 411533.1614 603124.5063 421322.4055 149263.0257 232860.5765 445228.3235 155295.835 328193.8452 143888.4552 145042.4158 110402.3622 175766.3084 66809.27081 134205.8665 116480.5817 84054.87532 79110.97524 89561.17553 88944.30653 70320.59628
Glutaminylproline;Prolyl-Glutamine;Prolyl-Gamma-glutamate 1201531.246 1274467.265 966340.8714 1197539.422 519976.4143 1238894.201 1425233.064 1183334.495 1609466.922 1390014.808 1140235.127 1275017.08 1176440.824 1316912.432 1111798.311 1491432.583 1269693.822 1317227.886 1215952.996 1741317.502 1407665.946 1215450.821 1010702.507 1278615.778 1287474.558 1285966.777 1227054.479 1771304.381 2068622.306 2106973.394 1504305.663 1557778.792 904678.829 1671595.803 1033537.382 927604.5999 967490.7739 1008211.832 1801597.741 1259603.511
Glutamylglycine;Aspartyl-Alanine;Glycyl-Glutamate;gamma-Glutamylglycine;L-beta-aspartyl-L-alanine ;Alanyl-Aspartic acid 1055460.272 643245.5317 911629.326 1138048.922 867155.1359 876302.7392 717485.8479 1036081.781 1086252.41 533504.9798 319264.197 287298.591 482510.1669 445136.5241 420133.726 400882.6483 422365.7044 406139.2256 216551.178 416325.4319 350365.4778 606198.8882 450448.3682 530219.6041 576175.4137 549257.1629 794774.0536 770384.8805 679954.9248 573854.8299 565869.3955 735500.0413 329675.1698 413926.2207 666096.2065 352568.273 413237.2372 215830.5565 501137.6119 479160.8798
Glycyl-Threonine;Alanyl-Serine;Threoninyl-Glycine;Serylalanine 417018.3138 1448739.797 611992.2247 511670.4447 17245.55487 589217.5413 1394322.927 436281.5602 1065130.061 231075.7836 387651.263 261843.3847 236629.5172 872291.9482 805010.4275 805980.9087 321540.1634 532342.1027 540021.1922 798744.8264 680899.729 857656.0215 426617.9636 406125.2135 1138781.413 858397.7582 1253007.275 640590.3319 1026332.612 1358455.748 1147899.533 466305.2239 198684.04 1042854.282 302492.9615 243231.1159 378663.2962 290012.3371 247967.4405 575302.8122
Histidinyl-Glycine;Glycyl-Histidine 1006528.298 1238217.087 1039271.671 1291483.336 454119.1423 1144916.041 1295847.088 1213918.269 1287029.34 1103931.801 836196.9224 771487.529 842741.1293 729972.7934 640162.68 1088051.717 1003021.335 583513.228 804117.9973 1000805.614 625513.9493 1111066.141 977947.6654 993709.0129 1077915.887 1298360.861 1251464.637 1347463.049 1068355.745 1361083.165 1098777.754 968238.3275 485209.8055 992094.1265 719573.7655 601987.2639 685733.5082 701161.0132 788610.7334 822820.3391
Lysyl-Valine;Valyl-Lysine 38324264.22 38009203.25 30334123.19 37801667.44 14082211.21 38319167.14 40877659.05 42461949.92 44404165.81 51559783.51 25394622.27 33479945.4 27595750.4 27651032.23 31278860.71 32622619.63 29591987.88 31072247.59 32111241.29 26164635.4 37411154.12 51389715.3 42572260.37 41333128.52 48339472.07 44946581.69 50509578.64 48529624.9 50212455.35 57219407.88 54823367.18 45921440.43 30877079.35 58108319.12 32727478.83 30941641.96 30869752.64 32517084.44 53179166.24 45875042.66
Prolyl-Valine;Valyl-Proline;Dethiobiotin 1296954.997 1178243.835 1062426.024 1000194.676 483362.9503 711306.8846 1211470.545 712442.2536 803859.0084 954597.0935 2062013.498 2166170.083 1339719.731 2076147.34 2117289.511 1858352.102 1486339.569 1975770.329 1542952.109 1824748.584 2416113.082 1521197.047 1024603.7 957558.1359 1219217.113 1331536.983 912561.2456 973961.0651 980956.9143 1229336.434 1579795.108 1991454.681 1921091.732 2244813.926 1742598.323 1625646.448 1722774.399 1386109.764 2486965.081 1813686.787
Prolyl-Valine;Valyl-Proline;Dethiobiotin.2 3051547.159 2831125.793 2811982.383 2202918.193 1356615.959 2113094.53 3237560.142 1682357.614 2067429.137 2115751.278 5473649.768 5507653.153 4404911.775 5776977.528 6047648 4456911.598 4088729.495 4796617.874 3669979.82 4135204.25 5635568.684 2873987.606 2600833.254 2076993.309 2639517.397 2784935.935 1438005.93 1998246.712 2101551.274 2623936.66 3385550.157 5807609.323 4582022.528 5950782.437 4453114.129 3460735.176 4307440.243 4150180.403 5808524.954 5459100.811
Serylproline;Prolyl-Serine;L-Coprine;Alanyl-Hydroxyproline;Hydroxyprolyl-Alanine 1161303.5 1241192.485 924615.4599 1166835.478 526254.331 1081629.213 1206116.749 1019498.682 1094400.089 1268107.898 1113870.221 1119371.572 1028877.462 1056674.008 990384.1936 1420113.826 1224787.429 992615.583 1075053.19 1265688.638 1078317.124 1174675.904 1045448.042 1009489.839 1100874.191 1311011.552 1139982.862 1361700.939 1267110.732 1668402.565 1354241.84 1325889.12 813495.081 1245815.803 959668.6262 849798.5242 907145.0626 977823.0188 1325055.658 987970.8557
Serylvaline;Valyl-Serine;N6-Acetyl-5S-hydroxy-L-lysine;3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide 901472.225 700029.4874 965223.5277 917055.8163 887208.765 923511.4819 902588.7479 878693.9865 803603.0868 999248.1055 1297009.196 1216446.906 1238737.135 1522151.182 1502720.17 1071210.19 1154972.757 1021675.301 1110647.318 1019712.051 1139235.061 945583.5622 905028.998 800766.3916 914090.0535 819337.2571 631156.7054 696246.9489 801279.302 895243.8406 886968.9259 1098595.563 1095650.385 1049173.507 1008578.698 911381.1036 1113142.807 973002.2214 1088880.641 944732.4543
Serylvaline;Valyl-Serine;3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide;N6-Acetyl-5S-hydroxy-L-lysine 575608.6278 493462.1102 443087.3664 281934.974 121231.08 459264.0182 496837.8545 227194.7676 386328.228 553986.3912 2103682.545 2018527.814 1627979.389 2009376.405 1684450.884 1926998.531 1869362.777 1620279.869 1641103.868 1894468.789 192841.7013 62804.1182 49031.73531 66120.00381 50093.43389 34602.34176 124797.8927 78875.70474 97882.89034 107397.8948 85399.3798 200667.3887 165304.7068 340401.6957 144901.865 211704.7509 103201.8195 113706.9801 196066.5077 176763.4112
Threoninyl-Leucine;Isoleucyl-Threonine;Leucyl-Threonine;Threoninyl-Isoleucine;Spermic acid 2 113364.8405 139642.0411 68109.19979 212915.3773 122701.7001 174877.0855 409759.7038 199117.1972 168804.1353 236629.5753 345476.1173 359337.5481 710771.5973 541984.5592 478227.389 118069.1342 96641.88402 119786.7944 140711.2939 204953.5771 264562.2847 126043.0898 129157.6147 67785.44253 123094.8507 52304.41475 136529.6832 36775.11938 97162.69329 77796.35223 194289.7654 119214.1639 156590.6753 130221.2214 167239.2762 118838.0458 104678.5598 108018.315 124316.2264 179713.2959
N-gamma-Glutamylglutamine;N2-gamma-Glutamylglutamine;Glutamylglutamine;Glutaminylglutamic acid;Glutamyl-Gamma-glutamate;Norophthalmic acid 1142287.018 990536.3691 1300434.731 1651476.556 1580761.598 1032863.352 899358.4746 833538.6477 941443.4182 925762.9874 1129485.293 1093741.302 935269.5363 1252862.801 1086587.707 1197194.111 1209129.668 1032134.399 926149.3227 914367.4832 1060923.262 1540282.976 1282673.731 777942.4085 867767.3476 1257149.096 963037.6668 780121.5992 939253.0039 856257.6934 851147.7615 888243.2351 1015529.448 830553.7228 1431690.733 1083896.571 1174287.577 1121252.284 823279.1157 1137949.069
L-3-Aminodihydro-2(3H)-furanone;(S)-2-Azetidinecarboxylic acid;1-Aminocyclopropanecarboxylic acid 7013870.952 5575659.137 4743648.967 6685851.658 4249955.945 6541524.238 5335590.711 6803444.72 5988628.982 7210058.239 5511867.89 5777214.356 7157239.455 5325383.286 5719577.982 5677557.316 5604653.023 5250526.324 5676658.792 4788702.686 4625312.274 5958631.246 4395774.402 4639359.681 6240373.983 4561398.465 4969499.644 5042986.149 5766608.737 6017487.092 6102423.192 5428954.44 4807834.39 5127087.854 4460516.894 4096233.907 3970419.585 4628403.163 5021900.525 3621856.24
S-Carboxymethyl-L-cysteine 1290222.436 1208036.678 1129772.356 2212524.389 751381.9959 826253.1176 1298771.327 689425.0658 846144.5081 916192.528 1320013.629 4449221.284 1712850.767 2244635.056 1657054.162 2008434.132 1821916.745 2059727.123 2210812.128 1552134.248 2243400.208 1513161.383 2335168.2 999221.4867 1100314.805 1715761.029 1238993.706 986318.0309 1398974.352 1491076.98 338996.9388 413411.8494 168743.25 492699.4347 275652.8117 315411.5318 251818.7993 306682.6716 549985.1161 355194.5041
S-Cysteinosuccinic acid 540836.9281 423798.1595 381076.8007 419259.4563 208273.9186 481438.8543 495780.0306 654251.5904 574479.3678 570471.9415 229268.7262 370012.2241 206452.7882 233338.9848 272787.8048 256634.4185 179657.5006 231822.7068 212581.077 288326.5598 254413.5984 321437.1045 295475.1115 346917.8034 349440.0311 382879.3168 573118.2848 359593.3575 456666.7492 484222.5762 766947.257 472966.7161 345856.4594 511952.8359 389273.4658 518091.5834 483030.3532 391952.7536 377580.1692 645187.9266
(2S,4S)-Pinnatanine;Glutamylproline;Hydroxyprolyl-Hydroxyproline;gamma-Glutamylproline;Prolyl-Glutamate 4734194.246 4800838.657 3931618.749 4363775.044 2133107.829 4433124.812 4684357.656 4281831.164 4835732.464 5111572.003 4771207.719 5651929.803 4933893.056 5397517.887 5023291.396 5320845.734 4597634.676 4641624.557 4792889.386 5003599.286 5336473.237 5051526.982 4074223.438 4275947.976 4355027.962 4704670.417 4332390.464 4710308.744 4769385.397 5894888.726 5763109.688 5848477.487 4200428.668 7212328.771 4731396.041 4254479.572 4353985.871 4531528.587 7286762.743 5531736.088
Dantron;Xanthopurpurin 2499287.945 2194312.789 1788986.536 2565689.113 1155194.922 2121579.23 2090476.121 1964063.871 1824320.776 2981883.329 2131379.874 2469733.021 2433274.666 2267154.316 2765528.491 1678377.402 1549197.738 1691145.601 1706070.44 1855985.585 2075915.306 2608187.664 1798456.526 2840817.73 2295278.445 1895111.922 2219240.815 2128162.95 2352497.589 3191458.387 3062494.655 1926430.127 2040305.358 2296927.403 1610439.171 1646459.289 1607200.758 1947574.972 1992917.74 1530042.211
D-glycero-L-galacto-Octulose 789396.7429 1221076.007 408638.0186 963662.5964 805049.7517 637668.3961 723780.0329 572716.5018 566735.7353 554186.2277 697157.0569 745321.7587 874602.3818 791101.5737 611229.4013 755927.7168 605460.995 619031.5603 653095.4542 886124.5929 952516.4814 784216.3784 907932.1914 500313.3218 629458.2914 555069.6914 695645.5463 536923.7676 714186.6547 661135.6769 844723.7687 750176.6108 525045.1648 938151.7415 959018.3783 469754.4337 661024.4101 575111.2778 939405.7217 897671.181
N-Isobutyl-2,4,8-decatrienamide;N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide;Sarmentine 3309002.252 2773464.257 2513702.402 2960127.339 3314709.889 2884200.886 2900771.444 3688246.594 2731995.386 1919672.409 1913110.996 3057148.198 1161676.66 1395139.157 1913654.226 1637818.773 1499297.735 2996918.275 2420168.75 1942936.768 2693674.48 2878813.549 1169732.54 1923349.799 2094746.028 2100053.05 1649746.327 1375195.123 3378482.663 2371361.043 1286379.356 1119274.652 1045089.98 2706258.903 882249.4791 2108374.533 1957446.813 1632233.497 1070835.083 1383319.239
(R)-Dihydromaleimide 113.8663158 509515.5242 291891.0212 17577.54148 123.8572822 108.1963104 122.4840091 21242.16466 86031.95687 179416.6967 128.1367898 92204.42494 127.0743692 47733.12433 546663.2375 225291.7674 181928.8277 441593.5564 221.742443 206.0566714 120.9189281 4546.943831 121.9109674 118.1578362 56589.03136 81080.05138 1440.129656 251970.8599 427100.6243 21388.05583 120.5644048 9390.354138 278088.0292 110.8271141 135634.3547 218366.4873 276061.1037 6350.021453 123.1021103 11603.40678
Methylisopelletierine;2-(1-Pyrrolidinyl)-3-pentanone;2,2,6,6-Tetramethyl-4-piperidinone;3-(1-Pyrrolidinyl)-2-pentanone 183724.9315 287456.3419 317634.2676 169179.0719 259607.1964 208518.2438 144329.8148 119730.1999 112129.4217 481131.5259 100900.2401 1240668.167 95913.36124 127329.0662 120815.566 80546.85623 88228.59359 92883.00206 93131.91162 104702.3997 177578.8319 102667.6608 116430.6982 153929.5706 101950.0711 138318.244 170655.1153 94932.98687 107653.4738 117416.9894 58379.31132 69932.3495 41233.93177 50292.19048 85246.03514 59122.35028 36908.167 51525.33827 74472.23863 63830.6193
3-O-Feruloylquinic acid;3,4,5-trihydroxy-6-{3-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(6-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[1-(4-methoxy-1-benzofuran-5-yl)ethoxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{[2-(hydroxymethyl)-2-methyl-2H-chromen-5-yl]oxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(7-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[2-methoxy-4-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid;6-({5,5-dimethyl-3,6-dioxatricyclo[5.4.0.0²,â´]undeca-1(11),7,9-trien-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;3-O-Caffeoyl-1-O-methylquinic acid;3-O-Caffeoyl-4-O-methylquinic acid 126342.8573 485072.5196 642701.0429 132990.0061 913941.003 354400.7372 152481.4041 74641.40059 114544.2665 42776.32412 448189.6911 806868.3978 732251.3933 871718.6834 53617.70588 1681624.864 4207518.401 1392314.897 3011960.406 1491338.65 556567.0153 979435.1936 1319641.771 437773.9519 162924.842 1736180.531 664161.1634 1446240.622 352159.4172 136675.6168 152483.0215 5399404.58 276307.187 1018523.387 2008033.785 394546.8374 724898.6115 479103.2351 1952450.864 709917.778
Sarmentosin;Ethenodeoxyadenosine 424972.2213 317837.7438 149049.6015 561419.8646 204559.8794 999101.2103 512170.7775 357898.0452 421848.7502 385619.814 398675.4486 253157.2323 716740.2743 64121.26842 112854.2448 2693327.035 2870451.894 401585.4401 944292.3366 119732.1491 94277.27612 634440.4536 208869.4196 144860.7058 1222387.878 268391.0108 325960.1962 304446.7735 237170.0325 721997.8867 20633.76977 29007.87711 4159.061811 34544.31908 7411.987037 6786.374542 3798.006947 8140.612112 5851.542843 10184.72154
Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxybenzene;Methyl 2-furoate;5-Methylfuran-2-carboxylic acid;benzene-1,2,4-triol;5-Hydroxymethyl-2-furancarboxaldehyde;4-Hydroxy-2H-pyran-3-carboxaldehyde;(Z)-Tamarindienal 172635.9188 58079.11669 233900.0842 128545.9979 112260.5014 316476.1704 102707.6654 245541.0563 272749.3168 1259260.51 239080.3952 56211.47875 1411759.35 78597.22094 91507.17949 492373.2396 2023284.205 661421.5786 3169377.169 437091.2416 54003.85148 637797.0987 310319.6233 71073.88372 204856.1318 352170.2455 99495.10946 1302539.886 136728.7799 105424.8596 26458.59433 342065.1901 46161.09297 82342.09246 686915.4032 65308.8483 82385.75618 336261.352 70054.95823 23212.39308
Garcinia acid 6081932.409 5529499.952 6893841.164 6472138.547 6105751.931 5823107.859 5967922.488 5666601.894 5191350.826 4950994.818 4736134.042 4751125.223 5846241.453 5576526.985 5947146.137 5338964.209 5823081.238 4994479.717 4033433.184 4914163.865 5380373.094 5946838.161 5649588.071 3460697.213 5355474.845 5008394.533 3911112.035 4631880.406 5033962.266 4723691.409 5334535.836 5839396.556 3585887.026 6252192.095 5241442.064 3763996.843 3991794.48 3145238.531 6120115.393 4968860.823
6-Hydroxy-1H-indole-3-acetamide 120938.3853 118206.1789 221133.6742 219101.4043 1633840.418 97418.0526 151095.606 87251.92918 111535.0351 107419.8061 98280.09797 189995.9124 137413.4104 194869.6119 126774.0885 211641.7015 173842.311 80184.03938 100571.8256 419244.2753 512699.4246 409335.5548 2020714.338 109468.8581 93901.59851 119251.5327 96424.21638 169799.9592 102065.438 80475.99585 102457.9453 193443.3619 68754.27283 623196.6972 131030.7799 51830.07215 76101.72841 61346.20147 310626.4369 120394.2284
6-Hydroxy-1H-indole-3-acetamide.2 118720.9409 109783.8466 371670.2382 316593.4403 3627819.71 63094.29565 188497.114 103222.8387 125108.0558 70942.12524 72329.14343 325591.3172 188280.6136 243612.3395 143009.1342 274186.0263 244463.2777 89966.71085 100709.1837 539480.2677 632210.6898 628431.2579 3478194.885 169883.5976 129680.3399 129918.0499 124546.3194 198009.633 91360.27144 55267.73287 65085.32514 235718.4324 50041.65494 505051.5393 124806.1665 62956.68746 68143.97608 33243.03939 418504.2236 126266.9611
1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactone 1627489.802 1026380.97 971067.7225 116563.4043 401476.0682 1454214.171 1663948.927 1250571.07 1125198.337 2033121.382 928245.4447 1648764.648 721543.4262 1079660.512 1048772.335 1340403.293 941311.074 1606026.518 1403303.729 706631.8839 1256915.392 1367009.733 920012.7823 1296010.821 1066903.116 1287169.82 1933767.957 1742104.083 1408350.823 1821185.303 1670644.533 3267524.545 1563697.868 3415945.794 1321936.889 1491236.942 1215254.426 1939538.602 1770741.997 1402755.189
1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactone.2 47144300.78 41302331.27 18879047.29 53304715.99 222934.9597 53136214.07 31522695.67 44623074.51 25497717.72 28568789.5 20795891.58 16081527.99 9209331.275 7864765.27 18193887.19 1468869.179 9499275.268 9334253.419 7574021.166 86305.93957 122252.5071 41633185.61 6728397.449 18938336.01 22095072.24 14927907.46 22911533.68 10890513.93 23651250.58 49716261.18 44151521.21 2815391.817 1982097.67 48525.18624 656544.9495 4003825.386 1125969.709 5820511.551 37620.07346 2692378.539
2,5-Dihydro-2,4,5-trimethyloxazole;2-Acetylpyrrolidine;1-Piperidinecarboxaldehyde;Epsilon-caprolactam 6715.683665 1731124.102 1330435.747 802846.4047 2643.629554 326.3420672 1583.395233 4609.75119 192810.4857 198404.9869 213798.7244 168946.6379 338.0820845 1813116.733 2952268.523 1745537.644 604189.349 1219398.987 2592517.048 3118.282474 1769.595527 191351.6459 346.1652879 678249.6065 141670.365 1323838.219 208336.307 364410.4207 1000871.417 616062.4361 321.9532562 247274.8822 36891.03719 5102.309596 406488.5735 1553768.418 2208825.044 29719.60756 2374.188815 5680.815786
Dipropyl disulfide;1,6-Hexanedithiol;xi-1-(Propylthio)-1-propanethiol;Methyl pentyl disulfide;Methyl isopentyl disulfide;Butyl ethyl disulfide;Diisopropyl disulfide;1-Methylhypoxanthine ;7-Methylhypoxanthine 1383486.371 1426409.707 1334462.19 1930082.412 1104445.418 1350002.141 1413600.47 1958087.964 1893417.701 2151596.122 904138.3121 1110791.974 1383388.647 955976.5189 1201770.814 1068999.356 806729.1269 885596.5661 1106967.178 853688.0042 1077071.405 1702304.644 1437968.906 1141712.445 1826509.937 1522052.491 1335504.677 1424455.006 2013228.347 1542608.312 1864767.865 1064679.324 895418.4149 923114.1678 1150273.327 1016318.112 1143968.162 1155581.256 1049759.766 1014816.355
Pyrrolidine 929325.5268 1108445.67 778112.0922 1046386.577 809191.8744 1033506.855 965189.0266 1255310.798 1140628.33 1107574.706 769775.4187 674242.0509 631031.5919 532428.1215 536313.2759 670276.2314 741590.589 518333.7707 600374.2539 549721.0036 598108.8462 976511.6156 773824.1026 692341.0854 1025605.364 836341.4842 757617.9508 847975.0402 1175170.533 1150589.75 1071974.386 676644.7631 566115.7999 650732.2543 511242.6667 465491.4096 483642.6936 571982.6917 558460.1893 578436.1958
N-Nitroso-pyrrolidine;Gyromitrin 3080524.582 3298281.039 2997247.323 3278320.455 2397219.531 2829075.168 2470861.465 2689001.857 2742949.995 3135071.108 3664397.276 4064464.173 3473416.7 3199421.437 3299531.65 3257054.562 3983600.125 3200716.819 3493899.446 2554043.126 3618815.808 982914.8634 2806475.014 3167068.898 2688851.125 2697316.941 3074185.523 3126798.969 2750521.177 3105296.169 3231173.025 4351673.271 3121294.086 4621372.414 3185676.22 3427497.497 3006349.332 3773675.12 3624548.512 454714.9207
N-(3-Methylbutyl)acetamide;N-(2-Methylpropyl)acetamide;Trimethylaminoacetone 197137.8816 165916.2136 170582.3005 122902.4556 126820.9209 2523074.12 2368095.297 1802660.325 2176451.6 557918.5458 165212.7478 197894.9885 243824.6588 207967.9229 163697.617 2407470.306 2191924.652 2146435.576 1156604.951 1463115.797 198449.1983 217565.0714 119277.443 181591.7401 240716.4859 1762784.067 2208074.12 1009916.424 1705531.22 942538.0226 264659.8783 171964.0698 156718.0698 150941.926 185474.3907 1393006.146 989400.3501 1211803.765 869736.3824 1070658.13
N-(3-Methylbutyl)acetamide;N-(2-Methylpropyl)acetamide;Trimethylaminoacetone.2 1993673.951 1955205.864 1187313.858 1619782.999 2279141.518 1556398.583 1646576.837 1151851.777 1911911.686 1646433.078 1830183.189 1924995.044 1576576.271 1411863.798 1554789.266 1640846.74 1288752.198 1673577.611 1531174.16 1379968.709 1573663.055 1161789.685 1350703.931 2175894.254 1529581.577 1803559.093 1925354.674 1776611.971 2101523.1 1644523.498 655193.0774 1005584.614 388247.1338 1153486.063 1126178.588 436243.2565 444896.1927 548733.7749 773603.4012 725422.1024
L-2-Amino-5-hydroxypentanoic acid;1,4-Dideoxy-1,4-imino-D-ribitol;N-Lactoyl ethanolamine 9192153.977 9840758.938 10396918.64 9021509.333 7539156.072 10157057.58 9451248.444 9534406.748 10280536.8 9824175.557 9158497.63 9821819.456 10004938.63 9962027.995 9345123.655 9606135.073 9696228.851 11999634.4 9214805.018 8766050.4 9950316.984 10316805.32 9715952.582 8721914.936 9178797.563 11836124.85 8839982.771 10694982.38 11109892.3 9452204.87 3502032.897 9404215.019 8992059.417 9937514.529 9826689.5 8570090.711 9066094.881 9402897.273 9343533.114 9884885
1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione 61760048.06 57853660.06 49477239.14 61026694.74 37658744.15 57672071.52 54262065.26 47195489.98 48568483.39 51249895.13 87050643.5 86854572.32 75304613.37 78118221.46 83618968.13 76951191.37 74859154.1 69571914.42 72491557.22 65450691.7 88775952.01 78063927.18 69271194.37 55579858.95 63968757.2 53596536.08 73382836.66 74849055.8 56766599.57 68311905.65 81741492.76 121793208.2 92237830.01 119290829.1 88543408.8 82057415.45 84014722.11 75023414.5 104636710.7 86575250.49
(±)-2-Methylthiazolidine 901537.5722 892415.0096 821927.3228 1218017.946 757474.6872 917821.2021 785584.5512 1308804.395 1129824.35 1500950.496 598021.6249 763359.5346 853712.2721 553397.957 746087.7666 608500.8993 522505.404 490966.3919 698962.6555 452580.4579 563468.7825 1122483.511 906076.1569 748149.8676 1119613.549 917720.1182 795871.9953 916413.233 1227637.881 989251.6626 1218700.77 644064.3832 589848.7624 479099.41 722237.6126 625295.746 679540.8348 795107.313 556087.8441 601939.8442
2-Acetylpyrazine 200.2992543 327751.5535 198870.3529 160807.5213 197.031346 191.3575889 275.7133725 199.9302297 14077.58472 190.6689876 200.4258174 201.3392909 199.2635012 13900.04573 349626.8606 340588.8826 190.6864321 337504.4112 27143.73328 203.2960557 191.2455232 188.1786517 194.4435912 172.574618 202.5030886 334639.5294 235.0836752 180.7267845 154096.1448 4166.245222 193.5689582 199.1751952 170.4992217 190.2008156 289798.6059 5789.217199 368871.1052 206.4112269 931.7965028 202.4891133
2-Acetylpyrazine.2 305694.3762 105992.3801 30663.5334 145704.3148 161265.7661 393092.0855 25473.11832 6094.606871 20966.82451 194026.5304 168774.5511 120600.0329 166488.8889 95739.87987 122023.8269 85792.15432 238160.9138 92080.7022 131979.5908 4536.697265 2250.546826 558666.2869 188346.6327 4032.171337 21397.82724 101733.247 16111.85129 166.5399022 88835.63957 109870.7224 520102.1522 25680.82539 225111.1391 42155.76077 134180.5226 14270.41071 14109.50889 399986.8726 287.7420465 47210.81135
Sulforhodamine B 687251.4129 605326.7788 612753.9036 696492.9309 597492.5091 512812.9014 625931.4026 579445.9793 390254.835 733478.2175 807997.8911 801546.1159 767392.261 818965.3177 781997.7776 772078.7125 745207.8876 682172.7941 732762.8375 853692.5077 673913.6696 663720.7876 721262.8279 586515.5225 683321.3703 624801.074 648956.0844 497983.9933 381767.9016 594016.7072 699952.8617 673222.4776 844748.7395 571735.2049 837528.4995 744574.3256 762289.4407 790242.4949 648442.3047 692422.4881
1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid 951585.129 3277495.403 194873.7531 1488173.028 6204111.771 106943.3593 21478.05279 18718.9708 17433.32253 19236.89432 27757.93681 31349.63508 26407.95007 74849.30336 30647.20685 26255.74604 25697.25892 28981.22462 27431.6197 334286.3063 37395.4285 23866.72598 18088.90759 13466.39887 20143.1864 20826.68516 15481.5619 15678.33205 18057.64952 21774.38068 139824.3425 32355.24727 24748.96153 37505.33361 26890.40595 75337.97281 24704.43179 25773.61243 40776.45228 29200.57125
Koeniginequinone B;Pummeline;4-hydroxy ketorolac 733676.6148 900064.4496 640236.3003 723685.2167 327659.4688 730731.5384 836504.8563 602683.1616 720563.6249 820785.7637 880723.368 1006552.705 1013996.233 965813.1463 917620.7637 1106754.894 1056085.696 1028470.051 1046179.615 878923.0055 1333895.446 927472.6577 700325.1641 745993.2044 885254.0354 773382.5553 833459.1543 871905.0074 817595.1201 816225.2838 897378.1163 1565676.243 824448.3532 2041449.565 1005779.577 1014682.226 949579.3144 983511.2285 1524713.6 1188595.146
Triethanolamine 1265032.749 665055.1548 933203.8287 1366044.994 1155304.424 1473015.776 736942.0242 1387472.623 2153901.144 1554064.157 556074.5797 1298100.694 2677565.635 824583.1803 1318121.986 547809.9505 3821499.571 959970.4419 409128.8345 1583034.388 1034680.048 848851.0615 1106731.633 1419177.182 845983.6285 884520.9635 2927967.646 1023739.665 2033880.024 2480495.41 418290.1295 529285.2916 387294.2469 1446795.871 889416.2904 1042939.52 238887.4397 767895.4216 513071.9296 3475561.234
Fagomine;2-amino-6-hydroxyhexanoic acid;(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid;N-(2-Hydroxyethyl)-morpholine N-oxide 1330231.107 1334744.752 1377426.711 1316185.58 680038.6322 1647665.191 1740285.558 1509948.545 1648965.585 2096101.527 1118085.85 1677109.282 1803512.931 1571855.386 1993864.032 1716663.027 1634782.79 1780934.884 1861898.858 1605126.93 1255003.434 1508797.893 1188593.487 1473191.492 1817090.582 1370777.327 1452821.831 1569599.272 1628410.042 1850770.115 1645449.293 1537305.917 1033257.251 1959777.954 1280649.952 980727.1828 899597.5755 1197651.693 1610333.447 1407178.762
Fagomine;2-amino-6-hydroxyhexanoic acid;(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid;N-(2-Hydroxyethyl)-morpholine N-oxide.2 2269812.665 2267669.319 2412398.907 1707079.265 1251617.243 3039135.232 2977151.813 1746224.019 2503252.982 2619047.843 1806949.885 1495694.762 1553858.28 1434878.035 1587526.166 2374805.696 2005904.845 1931273.487 2145139.634 1569959.941 834354.2381 1263963.198 922883.2622 879956.6048 1201247.432 3095132.323 1804557.983 1767949.151 2263534.365 1741854.764 1496022.673 1158682.129 804787.6238 991999.5713 828488.6508 1008508.967 1162025.222 1235533.904 1146975.675 1110546.36
(3R,7R)-1,3,7-Octanetriol 3445054.648 5297079.612 3884642.873 4930132.502 4900258.658 85279.01785 35249.4355 6945629.569 849173.882 16100064.9 9355797.993 12562929.21 13013699.47 1029880.687 6625948.23 249191.9383 7839876.713 985047.7511 5915075.156 57947.5316 21707.01481 9032500.778 7165851.343 12925463.06 65942.6596 6275149.591 4396105.062 5396790.696 3650670.22 9771139.693 8998389.398 7494387.793 11435316.4 55661.00229 3328064.061 6715816.48 818785.6944 9595610.657 177385.153 2553240.208
2-Diethylaminoethanol 2567089.477 2648398.545 1513633.234 1985739.207 2575337.183 2363994.852 2130714.566 2329116.192 2088088.252 1757550.256 1999457.492 2273098.058 1664978.733 2565493.037 1646689.95 2589225.387 1733047.95 1958950.646 1717884.305 2184372.135 2860130.841 1563419.538 1865963.948 1834006.254 1729411.931 2335440.661 2016643.473 2201662.045 2209204.154 1959983.432 1500266.495 2095224.922 2505091.285 2659958.017 1867978.007 1649305.81 2351346.769 2440388.109 2748243.896 2664592.415
Thiolutin 1282852.595 2291444.642 690546.3398 2160237.498 174197.234 1749246.323 595430.5913 1920271.659 824504.6901 831251.6586 454467.8229 318311.4423 215553.1783 207537.8515 223481.7 48137.64354 260161.7809 179892.7365 199334.9061 106809.841 22239.33719 697801.9673 280853.3493 968507.2162 720914.2888 454961.498 701366.7797 518626.1764 893253.3572 815725.8057 968615.8561 97371.94975 88078.7524 46789.5651 79361.7003 95786.35892 60167.87532 128311.0788 28522.21124 96151.90362
L-2-Amino-3-(1-pyrazolyl)propanoic acid 28404780.5 1449744.537 31656214.18 8704335.968 16629852.45 8558512.812 28980527.95 18947072.88 18023225.93 21260074.4 1481846.718 8728719.942 1464259.387 1389959.453 10866099.54 10091082.11 11745710.18 36648447.73 1990244.728 2385496.415 12207643.48 33944613.68 1841701.421 1141731.274 34427218.45 1381539.658 43695868.29 10102743.43 26665066.58 10298986.82 785881.3426 14257589.88 893052.9462 2792579.654 49117682.23 2053542.403 43702965.8 2146766.936 12351189.59 16223708.01
L-2-Amino-3-(1-pyrazolyl)propanoic acid.2 15586543.13 17444552.73 17497462.71 19830854.33 12817641.45 16476754.6 19387562.56 18418587.05 18522804.93 18575019.79 15514438.64 14787016.47 16523638.5 2505589.62 415736.9928 25209309.33 24872843.42 23071448.03 1196598.775 26632941.67 44422901.29 17454376.88 18069564.36 31627509.81 24587246.88 16690133.24 24233785.02 19965984.03 27093387.66 16781222.28 21644150.07 32140394.71 27550151.61 5926119.986 51616757.45 46142073.32 26957439.34 29592629.32 1208446.633 39194079.57
L-2-Amino-3-(1-pyrazolyl)propanoic acid.3 35908898.95 49255608.17 35493137.46 47349375.81 2539537.068 27239927.69 30845521.99 32524867.78 30298551.93 33120659.42 57202480.67 56355587.24 80643558.57 38630043.54 40029574.37 46445762.02 37608150.56 39694592.32 43987759.79 60630527.07 54336147.79 37427084.9 50492344.75 66414447.5 55339626.08 41681577.2 4210254.061 23378929.62 25247610.9 35923092.35 32122090.32 56373374.81 55934541.96 51884507.04 51582132.33 86510054.7 68523793.04 54203655.43 47441014.4 67404655.49
Piperidine 694467.0279 1055235.597 481980.838 1078511.042 774113.3783 803581.3922 632916.4984 1180238.974 1531984.424 1447069.113 520052.4394 465366.9022 532035.2826 266875.9119 257133.9835 504322.4551 491964.431 404496.2948 314065.8435 424405.3285 482432.7582 839070.9911 1060651.692 745941.6984 1175024.414 759866.0741 817273.3797 810480.7329 1144589.274 1128757.829 964133.9717 505905.3823 388683.8924 457578.9207 347697.6918 363692.9 375124.3304 516417.2422 457064.1705 588718.7602
Piperidine.2 1115230.871 1378148.837 869745.7372 1440919.621 1765545.273 1085228.29 975697.0621 1895387.745 1924017.724 1622758.472 678821.8199 552446.8458 561085.8743 380508.0886 537778.3118 543067.8914 472771.0931 407705.3772 343851.554 543815.4754 437893.9089 962527.0449 1163195.438 1030218.855 974323.8688 746074.2571 1013239.876 1030285.503 1415164.204 1331325.545 954727.9556 451333.4592 474044.4618 361934.7494 418007.4 368225.0349 511287.7315 530415.2377 368194.4426 619053.8934
Piperidine.3 6092581.282 5833648.31 4663493.475 5296855.027 6614957.973 5245740.166 6053328.93 7132080.648 6504435.102 5260598.851 6059059.053 6490425.856 5762420.397 6398440.815 5455179.609 5771567.832 5129228.818 5673941.764 6224241.718 5851030.442 7247149.787 5208743.183 5063315.195 5971181.066 5648845.382 5936410.514 6342264.512 5228022.258 7307609.394 5782326.04 4883079.614 5561642.259 5963437.976 5991116 6350899.639 5496564.167 6535680.169 6138831.019 5775351.889 5692109.389
Cepharadione A 1004447.89 1704908.408 1644255.764 1334624.3 926263.1697 1229365.031 1879491.104 851586.7823 1610955.123 1408623.136 1363711.494 1357052.773 2082987.431 1390637.109 1464595.358 1694895.999 1477349.942 1588963.211 1688660.662 1676143.719 1793462.836 1629283.026 1254485.199 1100144.858 1566033.484 1347744.998 1073829.25 1320740.304 1570457.932 1542345.094 1274802.59 1985961.731 911028.4907 1567916.312 1525331.566 1083299.124 930770.4896 1197059.061 1503615.83 1043150.213
5-(4-Acetoxy-1-butynyl)-2,2'-bithiophene 2277069.337 1980782.474 1556073.553 1190705.9 257675.1363 2611443.142 3608101.263 1624456.764 2603732.22 4554030.023 2356824.818 5447023.24 1443418.927 2573071.18 1580575.736 5902157.438 3449347.41 3582880.831 4754004.734 2916244.119 4301520.508 1787092.339 1407834.855 1817812.905 2013039.496 1946777.166 3536602.423 1865191.04 2813609.632 2624204.353 2671439.085 4869594.553 2078030.207 8497535.581 1515193.273 1743055.912 1957837.143 2975535.51 7090691.193 5055676.705
7-beta-D-Glucopyranosyloxybutylidenephthalide;3,4,5-trihydroxy-6-[4-(4-methyl-3-oxopent-1-en-1-yl)phenoxy]oxane-2-carboxylic acid 429453.6711 397307.8712 201339.757 363818.2505 91937.37528 374526.671 312583.7155 578403.9053 571963.0907 845434.4986 84098.29474 84383.04534 52829.93674 98994.03017 83087.18081 157595.491 124597.4489 203400.3423 97468.85564 104812.7673 77602.4835 176765.8188 49247.66326 136539.7688 159078.8023 133574.0513 256814.3155 293942.8716 357068.7351 295473.9459 373947.6678 224020.3921 53775.4735 282322.55 47559.38128 56420.5128 38398.84478 54047.9309 128202.0722 57505.53956
Sulfentrazone 264063.15 212897.8412 186088.122 195952.7834 17453.76074 370749.1851 238133.3387 307882.247 377865.3437 447410.7079 203118.3246 182152.3435 224138.2693 258022.3287 242345.189 386783.0102 441456.7885 370632.2232 244966.0636 149198.0817 258651.4188 480679.2791 197712.6105 297537.269 433015.8621 391436.4458 337212.0734 411354.4499 423965.9335 573578.9783 380468.8883 395137.4081 211814.3077 502570.4604 244203.8898 267198.5991 200646.3118 312226.5109 568594.5448 317854.8687
(R)-2-Nitro-p-mentha-1,5-diene;cis-6-Nitro-p-mentha-1(7),2-diene;2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone;2-(5-Methyl-2-furanyl)-3-piperidinol;beta-O-Methylynephrine;5-(1-Pyrrolidinylmethyl)-2-furanmethanol;3-O-Methyl-a-methyldopamine;3,4-Dimethoxyphenylethylamine 1255672.734 1318938.507 1980671.911 927556.8961 1899673.373 754383.7973 2577700.771 1991370.738 2699335.457 1905346.684 1093357.873 2147208.938 1201021.26 1534728.35 1837667.5 1244943.337 1172463.785 1757050.793 1508595.669 972945.0136 1657955.876 1457278.162 1760619.686 1629003.499 1501298.342 1223018.522 2014648.796 1773215.598 2287782.587 2096543.023 1358013.851 2697112.794 1123281.004 1665798.066 1522348.257 1242809.091 2077534.26 1604781.09 2346735.501 1516856.933
(R)-2-Nitro-p-mentha-1,5-diene;cis-6-Nitro-p-mentha-1(7),2-diene;2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone;2-(5-Methyl-2-furanyl)-3-piperidinol;beta-O-Methylynephrine;5-(1-Pyrrolidinylmethyl)-2-furanmethanol;3-O-Methyl-a-methyldopamine;3,4-Dimethoxyphenylethylamine.2 2329739.125 2351708.324 1746486.999 1945937.606 2545638.78 2331506.311 2500021.95 2494102.808 2524470.839 2091246.457 2394675.732 2384610.8 2660510.057 2130530.059 2049775.043 2047439.035 1815095.119 2336071.89 2130699.611 1964037.267 2618534.921 1855433.381 1586826.728 2115478.587 2349989.231 2398918.522 2296323.715 2038412.575 2623409.874 2385473.545 1590749.93 1871295.615 2123528.103 2573126.99 3101993.747 2174414.994 2931084.556 2365934.557 2403604.13 2305971.038
1-Aminocyclopropanecarboxylic acid;L-3-Aminodihydro-2(3H)-furanone;(S)-2-Azetidinecarboxylic acid 932069.4342 896346.8115 587484.1058 962001.6292 681915.5089 718976.9938 538508.7847 1268967.755 903792.9995 1120582.758 344233.3521 351846.6544 476577.5474 318401.9299 394564.1895 339236.3337 236228.7475 238137.4167 316058.6035 415593.7216 378938.9545 824866.9196 655156.5207 338886.0932 807433.5796 595292.4467 442400.9664 486285.2003 817087.7273 846898.8772 1086925.583 278671.2076 386549.1854 315853.5634 408484.8059 219783.3338 387000.8102 320053.5172 394784.805 275258.5888
Hydroxytanshinone;Moracin C;Moracin N;1,7-bis(4-hydroxyphenyl)hept-1-ene-3,5-dione;(1E)-1,7-bis(4-hydroxyphenyl)hept-1-ene-3,5-dione;Artocarbene;(1E)-7-(3,4-dihydroxyphenyl)-1-phenylhept-1-ene-3,5-dione;4-hydroxy-3-(3-hydroxy-1-phenylbutyl)-2H-chromen-2-one;7-(3,4-dihydroxyphenyl)-1-phenylhept-1-ene-3,5-dione;5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[(1E)-3-methylbuta-1,3-dien-1-yl]benzene-1,3-diol;5-(6-hydroxy-1-benzofuran-2-yl)-4-(3-methylbut-2-en-1-yl)benzene-1,3-diol 467754.2499 540714.896 334010.4811 416745.7526 101616.1793 253655.1828 293371.0184 498102.5732 308652.5889 547244.279 823843.7292 1013393.1 856921.0683 741626.6831 281825.6987 862967.5058 841943.4797 459398.91 476053.7489 518052.809 1109688.769 609615.6749 405658.4294 456603.8539 331466.26 465145.0881 382318.1571 346680.448 378857.5649 225063.9011 550260.2021 1202334.652 833052.4679 1378009.323 939210.5666 751762.4582 707308.3496 932122.7695 546334.2205 1092473.175
3,5-Di-O-galloyl-1,4-galactarolactone;6-({1-carboxy-3,4,9,10-tetrahydroxy-6-oxo-6H-benzo[c]chromen-8-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;6-({1-carboxy-3,4,8,10-tetrahydroxy-6-oxo-6H-benzo[c]chromen-9-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;6-({1-carboxy-3,4,8,9-tetrahydroxy-6-oxo-6H-benzo[c]chromen-10-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;6-({1-carboxy-4,8,9,10-tetrahydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;6-({1-carboxy-3,8,9,10-tetrahydroxy-6-oxo-6H-benzo[c]chromen-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3,4,8,9,10-pentahydroxy-6-oxo-6H-benzo[c]chromene-1-carbonyloxy}oxane-2-carboxylic acid 779160.3861 448493.2284 782298.6207 676884.0735 109925.8821 940920.5995 781658.1333 1059838.861 1172478.316 1781021.376 425359.8043 330421.9733 827188.0591 353653.5001 383627.8096 494186.2725 825186.0603 860662.6931 859998.5962 320507.0866 277469.0749 894549.7938 539701.8069 303775.5976 628272.3447 815210.5698 374319.3515 931712.0043 559579.4074 459499.5115 548486.3828 808042.7474 364844.7611 612314.9324 632393.5556 386898.6627 374327.7199 528904.136 503726.2184 269636.1608
N-(1-Deoxy-1-fructosyl)histidine 2637495.194 2251946.387 2437955.17 3078308.598 2077519.533 2704501.551 2379960.462 3078572.995 2737578.119 2704806.765 1356192.73 1610048.601 1691428.649 1998887.981 2160896.379 1185785.3 1563797.345 1714566.843 1467543.082 1751525.484 2608490.607 3189117.694 2616501.995 1785345.286 2141540.436 2005457.211 2142469.326 2302252.349 1787553.17 3627496.769 2694282.344 2670411.838 1700732.072 3724080.294 2498261.7 1438320.374 1935200.904 1997259.532 2575617.953 1452192.81
N-(1-Deoxy-1-fructosyl)leucine;N-(1-Deoxy-1-fructosyl)isoleucine 181335.7885 723375.2354 97355.36821 349702.2771 2185215.141 44929.03685 116685.9812 46481.79835 21054.28776 13745.50746 33682.42835 19211.33605 78882.80268 44253.32683 9458.460917 53752.35528 101818.9375 54911.12468 66204.92607 80026.65129 28752.78351 41058.04712 96325.76841 16267.36008 21768.25652 33403.4347 30814.13872 55050.58469 27032.71162 7509.602569 97435.12865 72009.32564 9807.799746 9073.713267 44885.63581 48148.42722 5926.475283 8869.928275 9124.369531 8039.963729
N-(1-Deoxy-1-fructosyl)valine 43248.25256 158650.8113 23108.99152 64689.96772 593283.8819 17644.93627 28476.76511 15926.75018 19577.00544 20739.32014 14288.44926 15584.38913 19734.06399 15976.10476 20334.51031 13720.45532 14665.49222 16367.02149 19247.72723 30010.84541 13709.77844 12680.82223 25086.84066 15782.15728 18111.65004 13205.14391 14237.97663 16898.39649 22692.10036 17565.62202 15739.08565 14734.43976 13324.94717 17818.97578 14797.15106 12473.83356 13375.78058 11961.34168 15788.29123 12766.56067
1-Isothiocyanato-7-(methylsulfinyl)heptane 923690.6078 900839.3496 254647.1357 791264.6782 989311.526 234730.2705 104451.9534 192267.5691 120619.799 496975.0088 303430.4764 86012.33754 509638.0549 106661.9483 126547.051 340018.0625 513062.3233 373622.6578 771500.6472 249167.7777 67100.71814 243852.8966 96110.11054 59960.68888 125524.8893 130720.4396 44794.93696 112381.9769 79898.19182 25690.39434 47964.70774 24771.49253 8296.207679 14285.69956 24748.15773 30568.17582 20803.2032 26226.74162 18951.96422 25228.20595
1-Isothiocyanato-7-(methylsulfinyl)heptane.2 390706.706 435287.3686 337076.0286 534056.7448 346471.7751 439069.7942 390360.7095 332466.2857 398662.6743 389302.8209 322716.2425 260870.2821 285456.8039 318843.4633 327581.3931 479920.8289 471850.6792 319825.6941 315846.4436 309563.1335 443407.2674 513037.3004 321214.4105 547736.2272 664398.8284 375510.9138 631214.3594 459710.7933 485995.3817 748459.2958 402523.9657 405427.7172 369016.5306 741794.3095 298815.2582 311477.3471 337475.4801 494208.9587 544891.0893 480282.4538
4-Hydroxy-1H-indole-3-acetonitrile;3-Acetyl-2,7-naphthyridine 72671.74405 86304.95927 82554.78611 359862.1703 622135.2895 39398.74333 193584.0653 54494.60485 96405.83776 56967.87522 48174.30314 251293.0717 98969.21717 62222.64424 128782.0392 260719.4002 138112.5588 90471.73539 79586.82679 376778.6471 1270312.472 651106.7851 4604541.021 168832.5518 156514.9538 95168.92153 220073.407 278767.197 76758.57331 104679.1604 152483.6829 202032.7689 175239.5874 250586.4471 77318.55335 37246.7603 63378.05407 39154.99487 41379.9833 173770.3553
(S)-3-Methylthiohexyl hexanoate 1704507.961 2538681.691 1280794.176 2061875.789 792795.9089 1050222.277 1657573.734 1400643.222 1327120.37 2291171.365 613048.6778 789200.3549 410140.0515 1030011.563 1125365.402 1043905.091 396849.027 786447.421 317089.0796 889220.9954 1225864.091 2094768.791 1269508.07 714598.6587 1170504.235 972386.22 1927254.174 829459.388 1648672.82 1506337.326 3743210.948 1098257.302 599308.2995 1381012.551 847259.2382 754313.4869 1069077.67 915129.736 1130459.253 1254393.285
3-Mercaptohexyl butyrate;Hexyl 3-mercaptobutanoate;(S)-3-Mercaptohexyl butyrate 25058.69414 30790.17585 19251.78655 24913.62608 9485.862599 14838.13141 24661.86596 35965.63014 17328.7549 83593.24878 17041.39449 16206.90666 26001.50537 48133.07714 29726.63604 40174.80997 18048.50668 17467.56184 28590.7842 35417.32389 24752.09842 25834.1719 47550.42966 54075.16462 19128.89958 6672.605745 19787.23693 19983.25757 28503.35149 23046.22944 38635.35806 21260.40541 185404.4768 155980.1513 16633.00695 16526.68345 16051.98951 85411.29607 26783.83434 281859.2401
3-Isoxazolidinone;2-Aminoacrylic acid 24651.05948 26701.8776 22479.29623 27438.38954 23192.77074 29094.45021 22294.40632 28392.76925 27025.93904 26388.2464 30888.13679 2992.715567 26897.63314 26866.26893 26723.54355 21046.06674 24720.62075 30067.61144 26807.70391 25050.59955 23897.3443 22873.41964 2863.283607 26088.28908 27068.75121 27130.3966 25046.82648 29222.01051 23208.60795 22849.63661 174261.0856 436022.2852 709642.5831 345765.2735 496707.8299 470664.3982 833689.5237 444137.103 743112.5031 535093.7473
3-Isoxazolidinone;2-Aminoacrylic acid.2 1994697.397 2126995.68 2418984.215 2009001.251 756249.0438 1723518.514 1857182.024 2171029.343 2308091.809 1967799.839 1019733.047 1288917.269 621195.2083 1560304.11 1870443.419 227526.1858 186277.0113 735411.6376 552643.0965 1246581.171 1372728.168 1483007.346 1204156.556 1041046.958 951651.7887 1136997.454 988936.3803 868923.095 1688225.385 1884757.299 2453022.735 550860.2128 712976.0065 774259.2908 830254.688 628676.9623 832507.2274 603771.8541 779116.112 429598.785
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid 522249.6932 384214.6153 86989.64726 643234.9556 2733.243627 592455.7162 249616.7295 460847.6202 126409.5263 145651.8126 105159.8762 56948.05892 13838.81448 11099.50063 67975.97806 3811.670706 16105.80324 16609.52736 10246.06986 3049.625432 3552.696444 425712.3153 7019.016919 81363.9686 93048.19461 61545.50213 117209.4514 16972.89723 95258.83409 549631.7554 408465.4306 3714.566823 3304.601111 4190.969775 3339.544761 3352.181039 2920.015172 11845.58344 4231.630732 2956.089499
2-Acetyl-3,5-dimethylpyrazine;2-Acetyl-3-ethylpyrazine;7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one;2-Acetyl-3,6-dimethylpyrazine;6-Methylnicotinamide 1357471.418 1328093.541 987590.306 1169565.795 1080380.562 1178159.928 1538073.587 2279859.033 2264870.299 1978148.802 1812479.105 2031339.142 1711028.959 2085508.074 2005302.942 1699802.379 1496982.567 1837973.478 1959484.416 2258904.419 2174373.653 1872702.167 1573668.545 2326551.221 1935469.307 2086281.296 2089137.593 1925820.606 2407598.846 2240242.149 3230371.397 2087972.256 5050663.56 2733525.122 2985434.357 3371124.903 4019943.282 3689482.972 3656024.975 3870814.259
Dihydro-2-methoxy-2-methyl-3(2H)-thiophenone 591174.0674 487146.7118 387039.5724 348022.4685 163360.0163 436781.2868 531113.4728 221357.676 215411.7605 282531.9377 828619.042 1070961.365 555635.9856 845208.9898 830543.5571 800156.6262 881597.3351 1001935.752 1045550.965 532890.9482 883746.5822 737212.2932 606943.2032 787045.1833 518130.225 694243.3912 856709.0407 774931.5361 750839.8257 805823.4707 729816.4256 1938578.223 1477403.112 1750872.887 1080330.809 1338536.985 1366868.914 1563238.329 1165173.467 978474.3596
Benzyl cinnamate;Cinnamyl benzoate;4'-Methoxychalcone;15(R)-hydroperoxy-EPE 11255775.7 41578236.02 2492407.517 18990573.7 83123067.19 1256336.587 425544.8168 376077.2855 181102.2591 43541.08245 70943.80022 63564.90891 59718.96005 963142.7045 62164.94859 86994.74243 385362.6896 232998.6541 368875.0557 3218050.74 609112.6817 74285.51034 50552.89622 42465.04545 254005.182 44037.28237 33808.98833 34357.03488 39044.20149 47058.6043 1711589.176 173388.0319 55245.08481 108487.6205 232227.4558 803469.0015 51295.11328 68260.1144 100510.5052 59981.27342
Dihydro-4,6-dimethyl-2-(1-methylpropyl)-4H-1,3,5-dithiazine;Dihydro-2,4-dimethyl-6-(2-methylpropyl)-4H-1,3,5-dithiazine;N-Methylcalystegine C1;Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine;Dihydro-4,6-dimethyl-2-(2-methylpropyl)-4H-1,3,5-dithiazine 671996.0831 655906.2213 553071.6807 586971.3402 379213.0495 582342.7972 597674.7685 430179.293 571548.4744 755823.7965 1403921.629 1497932.089 1241458.619 1342214.088 1336686.426 1522775.276 1169585.441 1260249.74 1301464.152 1384888.379 196752.9717 133914.2592 91741.66201 117306.9251 110705.7485 81304.84342 173337.7955 125349.4678 140349.1855 152010.8464 153909.9938 176289.4245 158717.9452 223370.0205 223125.2693 150800.0193 131221.3585 121900.1011 177964.9477 138333.872
2-Acetyl-1-methylpyrrole;1-Ethyl-1H-pyrrole-2-carboxaldehyde;2-Propionylpyrrole;p-Anisidine;4-Hydroxybenzylamine 1674251.382 1622908.189 1183246.775 1429642.527 1711972.53 715446.3159 676304.5856 804014.0665 779937.2556 658529.8959 671664.1483 761005.2872 635932.9525 1030123.568 646401.2386 704021.3558 596699.1571 688283.5628 658692.5384 728183.3077 1138659.366 735968.1189 863609.6043 792379.966 730219.7757 839514.8886 919609.5794 814925.4194 979516.0828 848963.0757 793013.3822 590328.1649 609270.2336 590384.0003 521368.0471 485464.5474 513552.4815 556117.3269 575370.6417 578348.2267
7-Epi-12-hydroxyjasmonic acid glucoside;beta-D-Glucopyranosyl-11-hydroxyjasmonic acid;2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside 2622694.042 2265334.088 2214847.018 3014035.486 1489593.982 2835196.132 2593904.35 3103047.434 2758219.252 2838694.552 1229342.848 1466987.141 1518348.073 1872283.371 2051272.263 1172219.642 1402056.99 1684672.235 1311556.699 1638622.386 2591666.742 3348757.391 2226237.417 1567180.018 2179112.192 2053176.531 1982939.163 2214180.93 1825629.272 3954372.467 2992283.86 2602732.611 1404498.102 3995924.397 2232779.915 1266067.213 1679345.872 1736105.977 2713404.806 1428924.629
Isosyringinoside 232532.3618 616673.9142 54954.15456 119367.154 1452.250371 150830.9986 149422.8294 182240.9623 15450.46719 52480.70414 456619.2692 1111647.721 32225.25471 601377.3196 648904.9628 659665.6905 362235.2121 189164.834 329807.7695 575197.3607 997864.7798 638713.808 179491.3973 430136.4639 203346.9801 268249.8322 419338.5352 84079.86045 420826.6352 1016976.959 861416.4032 339918.8397 308171.3368 1633142.331 175320.896 354195.4502 458366.9785 409615.4644 1060005.443 1327304.145
N,N'-dinitrosopiperazine 4592.657972 590306.7301 35381.1448 31995.25376 15656.98047 194659.9409 157966.5258 107238.2496 18299.89477 4027.965671 3380.902668 4068.808253 480603.4982 951846.4794 136527.4071 5431.385094 3541.964052 3403.6065 100388.8718 173295.4391 121431.7867 20255.86793 44528.42628 9248.409403 247635.6804 36911.04991 296314.8764 3972.157949 172155.8141 3853.446828 546467.0696 28559.17629 18672.20185 11236.73294 82860.25018 1152439.04 17314.6654 19504.37568 4847.976972 5196.225481
ETF 127.8495801 528811.6231 202978.4165 59056.8691 139.9998172 140.8224486 142.5142448 12097.35602 168225.7499 68882.3952 122.5501442 13974.0054 146.7286115 575733.9126 315762.7943 528581.8458 104168.3799 1098094.649 374095.3831 136.8738952 126.8289259 12576.38773 143.0794628 412877.4708 82665.8544 298368.3252 294194.4025 136.3245317 913871.3829 668320.1171 125.4335273 31001.93508 134011.771 143.1464411 248133.5609 71264.08377 352620.8397 1995.543441 135.4262778 145656.9926
ETF.2 445302.5722 588859.3643 35541.47078 565149.7177 681555.8511 910966.284 1846.429762 460783.3573 461355.5605 689959.28 567691.773 965780.6024 251121.9352 379155.3355 24737.13733 925640.625 528108.9297 1941.464498 188435.3758 222.0006138 32425.49481 1044928.253 227.9894816 782385.3913 1685548.699 950352.313 695596.6684 448937.3585 697166.8678 1420518.215 855515.6643 1272877.707 958381.6945 1961.328029 7328.891279 286968.705 22485.79709 600859.0381 100751.6577 542798.0115
ETF.3 5296815.932 1707964.352 993111.7548 4119896.296 3416026.225 4554809.52 972501.255 2613255.21 1557665.172 1882173.316 4171343.147 4330622.307 468341.5113 1539493.049 2764156.477 1011632.138 2748763.64 351389.2929 1964582.335 1171976.525 269770.3036 3612121.25 128105.1876 2174808.409 1447777.528 580972.5524 1446775.979 1718740.311 1772454.037 2258370.009 7226920.536 2113760.117 2084529.65 1426779.247 843654.9832 1267336.369 371387.3962 2238029.108 901478.1362 2391921.289
ETF.4 4783504.965 5281189.587 3278384.981 4862838.608 4825461.356 2586471.435 4584995.663 2445456.886 2738367.59 2387545.089 2197130.86 2290555.658 275472.547 2509723.582 1925945.708 2767418.29 2361140.823 2779217.55 2761455.826 4069175.666 4634019.892 3013442.763 2243898.436 2281291.37 2868975.463 2714834.54 2694193.006 2327456.422 2637171.772 2721480.668 3212568.484 3337588.112 1924016.109 5260782.414 2583797.368 2058427.056 2529764.766 2104215.446 3557974.89 2233732.133
I(-) 826527.9739 1068833.062 499577.2742 995525.4283 1335089.571 587829.0878 477926.1125 4546820.546 681487.4375 518852.1146 415558.3192 372066.6909 2850826.471 2171191.114 2044505.054 382972.0528 383974.5921 457533.3975 390347.0462 539730.4565 546894.1213 1138350.626 386181.8232 484159.8594 968281.4414 422823.0613 1879916.077 540003.1121 1773198.469 433339.4921 563549.6186 975059.7612 446829.2582 689693.9973 1446245.044 1804549.417 518267.8136 776524.5131 645158.1131 632214.2013
2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate 1891985.089 1923626.643 1316632.96 1626263.322 468465.7827 2427534.246 2488621.806 2522426.805 4312668.449 1144658.86 1475042.336 1643121.179 776107.4591 1240704.642 1244811.315 1896950.669 2370632.575 1432421.124 1282453.546 1936552.324 3032918.71 2609821.256 1752823.562 3910577.035 2901992.858 1960971.314 3531805.665 3358719.058 4703465.953 5310334.89 2792033.855 1893441.736 2179444.388 2976016.2 955740.2336 1265393.261 2312095.018 2169297.832 2580246.122 3200822.526
3-Methyl sulfolene 30948770.22 32214079.78 30602600.05 42612825.39 25901402.1 30870872.45 32146788.8 44547961.52 42607724.15 49532878.76 20445771.32 25283509.49 31538808.89 21206441.3 27079230.06 23863789.55 18571221.26 19770978.92 23032397.75 18674507.36 24096829.18 38715622.18 31475089.24 25933704.63 41418354.91 35056039.36 30230837.41 31684543.9 45245259.58 34736868.77 42993169.92 23709292.32 19967745.61 20405324.33 25870590.71 22402022.97 25243404.41 26097138.44 22810760.92 23242491.86
Meta-Tyrosine;o-Tyrosine;Beta-Tyrosine;4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline;L-Threo-3-Phenylserine;4-Hydroxy-4-(3-pyridyl)-butanoic acid 1269849.924 1279703.397 1039961.436 1305948.088 1174108.684 1305093.872 1544744.489 1481963.135 1571757.655 1298947.458 1484679.197 1598932.88 1394775.278 1561685.53 1352464.633 1585307.688 1448618.738 1632331.994 1478375.9 1405781.916 1624070.939 1505599.369 1466309.096 1598140.582 1515984.503 1641938.464 1654178.841 1584966.119 1814757.822 1640191.377 1363961.441 1336794.03 1430544.549 1461686.306 1427004.919 1392002.235 1366660.872 1403754.785 1410750.882 1445484.5
Phenol sulphate 1254147.157 1067992.824 572297.5352 3266650.986 1572500.136 965197.1574 515863.8101 862003.8072 1577533.345 1010992.583 734866.9508 1515009.535 690232.9183 2156585.794 735243.0495 708175.7671 393704.7573 233065.912 641109.2193 768235.1216 801986.4864 659930.8356 1650499.913 1441099.135 896472.5494 868441.7798 4928800.051 853126.823 1097256.342 2083220.96 1015777.316 2421947.685 1211372.28 3640954.195 1234734.435 515044.1267 820555.7666 901801.3818 3336103.096 1504476.6
3-Sulfinato-L-alaninate;3-Sulfinoalanine 1890370.93 3026605.581 1673655.404 1358450.973 1739016.399 1325655.988 1854389.46 772602.7165 1149816.403 637701.1106 2140814.566 1435718.972 1680083.004 2273302.243 1500804.199 2415677.453 3863505.456 2182473.898 2688765.685 1958718.681 1024897.952 624169.5085 813519.5178 376025.0129 709264.1668 534242.9001 515057.1218 507621.8139 601467.3205 562138.3363 756501.3149 1654545.551 570552.7031 1674730.106 805655.9976 809355.6052 844679.6018 839251.0965 973145.4157 759517.6849
Phosphodimethylethanolamine 1621672.865 1543161.546 1175784.878 1414558.085 783812.5317 1533520.387 1394961.883 1939475.187 1699276.475 2076206.158 778342.0349 795452.8016 693138.5819 847085.3929 830232.6747 1028752.553 964218.9071 1186287.997 862342.3977 961737.7506 779594.2991 1045105.746 604262.7324 961459.5606 922232.0191 954146.5118 1363003.173 1302056.683 1465275.495 1260674.513 1471107.321 1303474.45 623106.6524 1631098.886 580012.0923 728280.9742 588010.2245 656793.1706 1035762.174 720442.1205
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acid 301310.3017 559841.102 572422.856 657554.1228 185618.6697 1496171.821 914458.9776 2138962.693 1995900.541 2596594.533 51267.36806 239048.7859 25588.86461 203641.2988 200975.7168 15480.3387 157507.1128 292463.2176 284688.4664 28542.17942 231435.6797 142357.6506 220857.7635 297658.9318 241349.2293 281288.16 853675.0481 684732.0464 918173.7444 597900.3225 41933.8421 262335.7193 118526.1906 34762.90468 19045.65954 28663.70308 182325.0798 183515.8506 255651.5412 232847.7801
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acid.2 733418.3225 753520.7351 410871.3226 913993.0859 518143.8101 569001.4724 564985.3146 313719.1941 340230.0175 58844.39385 578139.311 613762.2503 880441.1887 317788.274 497813.2969 689753.9035 584031.126 1007966.991 699274.0277 1041737.949 828370.488 680067.2429 330558.655 159148.5965 499983.3947 492236.155 356883.15 243975.2764 438736.7081 146222.4003 1180551.239 642215.7687 272844.3652 1544859.926 946287.5648 659211.4525 330044.4563 359108.6245 528245.2933 508646.5494
N-Acetylputrescinium 27276.76598 27076.94475 15068.51453 81029.31121 23378.92231 63797.43625 26095.19808 35661.13109 22532.59424 30742.94203 19233.80994 74794.79882 30249.53504 27713.55241 29614.09715 43752.33694 31056.02927 40847.82712 38920.16502 33418.93876 51028.82077 53295.16144 29775.96103 32300.73349 44672.26101 26948.11444 27513.0604 16523.41822 47031.27356 45111.84757 525219.7853 331078.9178 1116074.492 654541.1407 519308.9834 863608.7741 1144525.719 915070.4874 572731.8947 884006.5469
N-Acetylputrescinium.2 1056575.012 4339277.735 453389.8334 1978726.466 5063067.425 137311.6698 96688.37696 97209.40004 49954.07149 65716.91231 44952.8347 46890.49312 65763.99921 114330.8723 55576.39577 74877.42283 72531.22754 75994.0338 201636.1688 240283.8511 105349.1025 52804.3861 50851.04564 46194.7263 71194.05421 50144.30193 50658.57515 44462.59333 52843.12272 50633.4245 167366.7714 57187.46312 41180.0601 58173.20339 67454.75603 91578.43672 43256.93246 46117.61088 118485.6889 52549.08641
2-Amino-3-oxoadipate;D-N-(Carboxyacetyl)alanine;N-Formyl-L-glutamic acid 124319.2432 164969.6322 120815.3208 208103.144 53611.7538 156125.8553 174645.0293 115917.9352 205309.0882 138583.3339 495763.784 575544.3091 543860.8121 460949.4579 512999.2349 528669.0651 580009.7378 485576.9959 612225.4971 339258.3018 649586.4388 327602.7371 250994.7986 218645.0442 328312.8786 370460.1364 328957.4673 234721.945 394928.0633 303655.7771 740797.728 665561.4669 544080.804 258419.5806 653045.181 1236299.052 1187610.104 989243.8793 331009.7951 1209521.308
3-Chloro-2-methylmaleylacetate;2-Chloro-5-methylmaleylacetate 49582.18663 22323.12601 76913.95114 38999.74535 33605.79163 102721.1585 31671.66644 79774.71077 79503.28426 412855.2265 73800.52291 19723.01013 474299.6719 24386.06409 27652.11132 160305.7312 651984.1175 214602.7181 1142129.849 149177.0877 14437.58951 208437.3609 93989.92964 21843.80058 64135.50564 118256.0258 32672.80698 444774.1356 40057.64786 32369.34142 6659.946318 103730.0482 15166.38101 26039.98637 236814.7194 19455.32334 25850.6945 110390.1263 22935.14165 3192.837174
cis-Acetylacrylate;Norfuraneol 175569.479 208961.8132 434848.0023 124900.6408 972718.3495 174886.5913 114102.7495 110983.5513 124571.0189 58151.94531 336443.0708 481357.5654 620073.9409 472337.2474 95311.67484 633436.0831 1273826.778 633669.5706 834942.9439 542727.5096 326846.123 387926.522 1724928.241 348239.8534 144120.566 583041.3818 1049768.128 642113.3367 225053.4475 162336.4555 109927.5705 994181.4818 671865.3992 489571.5419 1336393.674 221445.3214 646746.5285 417858.305 609579.5396 349338.4095
Olopatadine n-oxide 1484273.116 4814253.949 301776.3974 2738991.473 8092315.387 165067.8082 52435.00185 60628.94544 13378.00872 13834.0585 19961.89797 22544.83902 18991.06582 60256.57905 21361.85783 18708.68788 17579.27586 20841.6156 19727.22964 238517.5896 45805.79777 17163.56486 13008.49304 9684.252907 34684.8613 14977.34386 11133.44126 11274.94694 12328.33402 15658.8715 290819.7325 23084.17746 17798.01749 26196.6586 19338.0201 74915.26654 17765.99429 18534.88698 24439.09997 20888.77763
N-Desmethyl tapentadol 3350634.266 3241054.573 2401602.484 3213297.49 3552331.527 3151975.607 3499926.299 4401114.802 3252616.703 2553410.043 2472612.376 3504382.094 1837094.614 1914235.928 2476276.473 2283478.865 2139038.907 3218156.875 2863471.77 2488888.007 2838643.776 2975197.725 1689504.399 2491483.968 2486924.527 2715949.816 2066178.589 2008472.305 3262410.42 3184577.087 1775287.207 1694020.13 1502475.384 2650251.428 1696935.77 2196434.355 2218626.436 2294684.068 1714897.297 2055417.921
4-Carboxypyrazole 64174.98302 47632.16548 19505.37053 112832.7722 10208.81315 4637.560689 96.37056799 122512.4615 49427.17735 128551.9493 35385.80598 61587.9261 68315.53113 413.4574386 139373.6328 57494.47259 73236.85222 86839.57715 28967.99279 100.3893426 95.57534484 211642.4115 90.85696165 137002.5987 127790.6047 6501.788598 87964.39007 35816.91772 85940.10114 154246.5577 88.11424502 1893.491048 63051.40664 102.1003188 35632.81032 21532.79505 1485.043256 5736.884894 89.18671301 24030.62047
5-Carboxy-2'-deoxyuridine 3066616.787 2934480.913 2488788.802 2769065.703 1151998.226 3226084.094 3149416.112 3587851.403 3389819.05 2955297.686 2422615.768 2737506.496 2377512.722 2626847.034 2856187.174 2268628.179 2326201.672 2628168.989 2233826.666 2118213.515 2249493.791 2974513.297 2149877.062 2841174.653 2741148.034 2901233.025 3157242.867 3129693.562 3669663.951 3423030.848 3538640.249 2908106.072 2467019.399 2640935.826 2326877.25 2228158.19 2081780.427 2437572.489 2402940.63 2690948.9
N,O-Didesmethyltramadol;N,N-Didesmethyltramadol 5073011.219 5062916.958 4204457.78 4876800.027 4875883.997 4763453.432 5620889.901 4929037.677 4530898.139 3780492.956 3269121.264 4607005.484 3732357.697 3815675.691 3801319.361 3245986.341 3389137.191 4170642.673 3903767.904 3776115.351 4113491.194 3852236.216 3072684.964 4128304.937 4040394.171 3577967.93 4288973.911 3618480.287 5000683.944 4558758.659 3224016.049 3756061.789 3167569.077 4016609.622 4429742.496 4572345.499 4924154.331 4307853.65 4318262.645 3262344.492
p-hydroxymexiletine;2-hydroxymexiletine 6703045.147 8210434.917 4207012.953 730185.5319 6017034.652 4218257.736 4253048.488 880939.4382 2898865.257 2996528.967 334229.342 2704021.822 4325033.47 3730957.369 3159336.32 3058593.375 5679885.166 5111064.734 6965798.172 7322493.001 2324517.829 2528791.204 450509.005 2298941.372 740078.9976 5520330.707 3271896.756 2609882.882 1737115.255 8638937.733 355642.6926 3818162.103 3221992.572 2749310.753 3227866.365 3698785.708 770890.4498 5291024.554 6134958.77 1004531.042
p-hydroxymexiletine;2-hydroxymexiletine.2 8894179.371 6661914.386 8146939.647 11549902.33 6624990.171 6000653.545 9794366.703 15073203.18 8920292.304 7070160.418 10779941.52 8850273.211 7275358.319 8646694.29 7032197.601 6271636.556 4463890.441 6102115.612 7335823.275 6894644.011 11592609.22 7049390.974 8749259.171 10365574.84 11653756.91 5619287.309 9462104.207 6454350.708 11717516.95 17062691.31 8098543.349 7597096.94 6891001.475 9273893.455 12305643.98 7396862.2 10506848.61 8458408.045 6425546.045 12349673.82
3-Hydroxyisovalerylcarnitine;hydroxyisovaleroyl carnitine 22728082.11 23068573.19 18340961.56 22169241.27 10026735.73 23745797.19 21470146.85 23031714.68 27050452.03 33413768.75 10514412.56 10789805.55 11637703.31 11744479.1 12572954.27 11889126.28 11925690.17 12077776.76 11694192.01 12074741.09 10515012.16 20172150.15 9996444.058 14274687.91 20192065.23 12039353.69 20164523.83 17930565.68 17380763.92 21098690.36 22774903.86 14171682.8 7838128.139 16010196.1 9033280.328 9879762.988 7667626.563 8906100.113 12039072.34 11121280.94
3-hydroxyoctanoyl carnitine 4107755.735 3495310.635 2495239.303 2570145.74 819142.8808 2947176.572 5393521.155 752944.2726 1517461.015 2640082.097 3287796.623 5090144.261 1055846.999 2900089.559 1995595.27 5842514.146 5993442.738 4968656.54 5269975.471 3096441.697 4352795.522 4633855.182 2547736.571 3146977.437 4849909.244 3548238.108 2925307.22 5143386.676 4263897.274 4877162.443 4508944.09 4730485.805 2699820.686 6865351.584 1847633.821 3620852.281 2899734.273 4198098.736 2803978.372 5364903.238
3-hydroxydecanoyl carnitine 1434005.507 1939685.877 754957.3951 1025191.393 163555.9342 1426301.782 1189397.076 175493.5777 66597.36214 359650.1654 868589.238 3494536.812 25347.52806 69230.08102 306058.0924 2367561.032 1156247.659 3222277.327 1956892.26 1330829.262 2068771.319 2022722.924 493239.776 337389.1363 714738.4461 1787803.123 1165702.859 1125406.627 2212884.29 1240030.202 963153.4506 549013.0899 359800.0689 3312263.675 272335.7396 1148360.013 1166707.406 744275.5234 76364.3203 1046541.092
3-hydroxydecanoyl carnitine.2 1599104.477 1902292.797 2689510.677 890670.0175 240440.8877 1444075.862 1924418.706 311525.7483 371487.8142 439703.8681 1412439.507 2611724.321 73931.71173 850655.0837 450752.9057 2552280.115 1659853.416 2698226.193 2102258.393 1290768.341 1847118.512 1678324.348 842624.2839 964904.3276 1075065.869 1330735.419 1132237.883 1166131.97 2996148.186 1141295.966 941494.2844 989250.0948 389970.8489 2993116.904 251317.2548 1071595.978 1003100.509 1517451.928 1033253.33 1873004.443
3-hydroxydodecanoyl carnitine;2-Hydroxylauroylcarnitine 1214737.818 467910.6963 409510.9798 442107.5155 71460.64603 1194840.444 370449.7946 126666.5478 32953.71366 39681.90798 381760.598 719184.6347 5764.278538 74869.48626 141804.9902 352073.7168 334982.0414 1512224.694 696581.5138 216829.5366 787820.8107 805568.1978 139795.0958 82429.94994 160755.2062 328659.7983 128390.4188 112643.3045 589637.2258 165342.3891 186569.8277 211884.2946 71169.40139 1308816.678 72912.39156 356701.1867 208621.4749 235205.2434 193821.1708 450666.513
6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vinylacetylglycine;5-ethyl-5-methyl-2,4-oxazolidinedione 730492.3695 748205.7337 723170.1071 1059220.392 510560.4448 646174.2055 701005.3063 700938.284 639161.6887 573431.6759 126787.2954 113763.943 126647.5651 124077.051 92094.35634 95126.64404 104552.0077 84431.72239 123240.9968 85903.26037 96163.02076 602764.3981 511127.3317 173008.0604 697537.9293 550128.4117 369202.1721 605960.95 433684.4424 730116.1811 821573.4863 76322.1095 83336.22198 105920.8438 87293.01514 65601.07953 77020.64901 59376.55317 88965.98944 78390.58616
Methylphosphate 322774.7937 335965.642 337340.7474 352726.3892 150161.272 356972.4857 445440.932 309058.2833 427919.8219 494912.2358 397726.298 249680.8162 448400.8934 514324.0192 326573.1181 511308.2849 517431.0398 414438.2791 539228.4104 360188.0677 516344.0733 651330.3888 571241.2127 405875.5104 518656.1738 597380.819 591557.6149 742710.1483 660861.5587 719666.1922 642911.6047 706247.524 424717.3062 998149.0108 636782.5467 506174.6171 401486.5325 471912.0163 918291.5379 657188.3109
Succinylcarnitine;Methylmalonylcarnitine;O-methylmalonyl-L-carnitine;Epidermin;Lotaustralin;Camelinin 18402191.82 17527189.05 14334252.81 17233159.18 11753372.39 17092166.45 16354175.9 14321297.72 18141959.55 23259775.2 24849139.71 27234832.35 33139010.52 23297899.9 24542567.37 26161867.32 25417827.72 20751668.91 25881176.22 25207744.29 24709533.41 24085957.15 23644216.84 21395291.34 25342438.12 21340140.87 20017814.22 17797650.71 20890015.47 20152561.34 22555577.13 32230057.37 25624354.21 31139799.34 26181247.25 24304506.88 22718497.55 28703192.3 32465318.05 32075251.29
Succinylcarnitine;Methylmalonylcarnitine;O-methylmalonyl-L-carnitine;Epidermin;Camelinin;Lotaustralin 7639622.856 7016470.936 4023460.954 4578774.592 1781880.197 7316782.747 8010568.203 4261083.545 5218171.655 7121519.691 12605135.1 14978476.36 13178028.26 19163067.27 13874070.83 13697997.24 13776005.36 15961502 15292301.54 26291434.23 20660723.42 7626792.472 4819531.269 4649258.906 6253464.466 6197932.993 5256363.519 4724575.756 4413235.405 7443270.269 8928015.446 24046948.3 11639874.8 21959498.01 10518849.19 11657009.47 17008269.34 15694186.07 41190100.18 25316222.72
N-lactoyl-Leucine 23592.00543 29451.16289 53696.39062 32193.53884 13904.61834 36128.02304 20837.76585 30699.12423 32095.07238 42889.90527 25129.98547 182391.7615 22479.83232 26527.53083 43030.27892 43900.97026 29443.30221 37754.13876 41538.35252 29535.2082 37242.09862 40997.22914 227468.3211 33749.19224 22550.83589 18003.47071 19248.70621 20858.68148 38004.39697 58925.39964 7644.128676 38146.94532 22206.228 680478.6843 38619.10784 23570.9908 36994.77081 24429.38952 22909.91443 21681.57676
N-lactoyl-Leucine.2 46316.45396 84665.15096 33611.90055 198433.2961 27972.44508 365263.1918 48241.29272 226938.4234 47743.04271 63556.38501 96914.91658 30492.37295 47284.45257 48732.31245 44092.14935 54075.07123 36972.36906 50287.11732 104800.7788 54957.89267 43498.16569 49257.90266 45034.33466 33667.20842 154007.4124 35585.05173 102740.4892 177943.7866 52937.97699 35078.06587 47774.17696 41195.89287 26340.96649 626407.5556 34919.31538 35884.83452 27337.98562 28988.54428 43060.59833 239070.1317
N-lactoyl-Leucine.3 115830.0339 90891.10856 52114.20403 106853.1339 23321.24821 41742.24981 63546.04285 33595.43098 73593.04857 99124.04568 157879.0612 57362.42064 231628.015 57689.73718 58685.07124 198998.6763 43285.93612 72379.7118 90864.3977 65111.68409 36756.35515 63646.11281 79736.58106 52687.77819 75468.12801 71790.27144 82547.54056 130456.554 77475.03113 62383.85106 85847.03351 54791.83974 39624.98483 114007.2555 48020.97095 34236.21138 42476.30495 49752.24372 54793.48878 60452.71145
N-lactoyl-Leucine.4 91253.58769 105407.7916 73043.40186 129732.8204 44302.90494 773135.2972 132317.2186 457071.5787 96955.59572 110647.2889 117830.3749 82156.15653 108283.4196 99835.98983 154822.228 117914.5137 80624.23057 51914.85008 106876.8015 119458.8346 93135.32676 142347.8874 129153.9959 71250.94129 130277.3998 110600.7219 140889.008 109386.2609 125561.9835 91905.89661 166824.1468 88161.13096 93170.97834 749287.9317 110204.5788 70552.45355 91787.68408 76605.94184 161014.8866 124945.1382
N-lactoyl-Leucine.5 309926.7408 105156.226 456973.3252 545689.8536 503405.8847 355199.6488 311670.0913 153548.708 261106.6285 365558.1174 832876.21 373546.442 311211.9913 271895.355 377074.2713 6549477.835 248700.2072 551126.9495 722198.9716 367336.2944 248350.3613 523648.7606 96763.42223 240451.0605 427085.4489 77970.30925 793552.6814 248695.3666 523995.9932 297219.2677 266617.4421 534045.3997 316310.874 135418.946 324421.2079 1084876.631 287930.5943 197891.9896 759994.9748 652993.2869
N-lactoyl-Leucine.6 1513808.476 1087327.431 621455.1582 1144661.983 357101.4454 752414.0983 884622.6292 394763.6187 942000.8747 870403.0622 584227.8839 291937.9336 943919.656 916034.1386 930438.1479 1614186.521 791236.3084 713825.0424 379649.4164 1298491.961 296067.1742 334551.4151 1815132.852 590505.9023 110324.5687 426263.7572 779405.8242 628848.7356 243158.4526 921625.2956 354252.9451 166745.6648 999479.7671 476200.0439 1798495.237 468004.1843 616803.5722 3322414.574 343577.2897 3678734.205
Malonyl-Carnitin;(S)-carnitinium 40673.52808 58042.0169 90718.16513 48014.02482 33135.72583 44978.73514 99504.59765 34869.4074 84642.92093 79091.87867 48208.0202 79452.36879 104060.2452 99227.90922 97957.61818 81100.20689 53487.6875 107444.3313 114014.2491 74373.15696 123956.4688 96245.87587 39339.5973 122126.0632 81873.49282 62345.98445 51905.12323 58079.01845 145242.2871 194811.9132 67130.9267 87941.44636 50760.3728 1050638.669 71664.84362 51192.25769 95809.19684 40888.50506 76879.9913 85045.53272
Malonyl-Carnitin;(S)-carnitinium.2 341502.4655 259008.512 379333.5549 150602.8089 193022.6302 248570.9555 532149.6715 184038.0462 405483.2975 180481.7174 246874.092 663771.0473 134533.1798 450028.7626 404199.6783 342330.3916 249608.5306 323449.281 865698.9317 213365.3142 293191.4399 271489.91 245571.1468 271641.1567 226375.696 433101.5766 287770.331 342458.2956 843398.6699 256644.6395 231823.2467 507577.2791 52527.25939 558849.5415 165634.3091 210543.0763 171836.5584 562128.7808 452523.3372 241798.8303
Malonyl-Carnitin;(S)-carnitinium.3 472639.27 120686.0045 4734657.296 145769.7131 351813.6673 481512.6383 65104.54513 385028.7147 602685.9749 672528.8216 368685.4964 1656231.267 124108.646 526454.4552 173436.5154 523144.4985 479769.741 623842.5633 722500.4342 460357.76 61819.26765 951736.2905 426910.3017 521405.9077 435240.7369 193638.6216 330605.5361 629933.2103 295412.5347 753028.515 67235.45737 403819.4513 402624.586 271714.0004 414493.5488 343192.0553 259292.3993 406568.6948 69526.80174 595027.8985
O-propanoyl-carnitine 1051631.496 1039997.453 476885.3067 876608.0681 386767.9405 372956.4729 897571.5111 291542.9391 456333.0446 504498.226 1099926.432 960256.5364 843119.2542 1176223.573 1051197.786 935414.2812 426759.932 563831.4152 602910.8778 376132.0679 1068849.295 1029211.316 851902.7408 398436.0821 806134.465 1307821.152 1683353.968 535163.3546 543385.5831 977725.0431 1133975.762 1601036.823 950852.8976 1065755.508 1190189.099 728987.8778 836672.2845 561397.1336 957182.124 956680.492
N-phosphocreatinate(2-) 923198.5412 1432581.275 241878.9957 403913.1142 3540959.981 122800.9969 103859.5649 71630.00387 145914.6555 28658.48188 67936.96823 9372.638345 36401.67317 522081.9876 120886.2405 27817.44575 31731.09728 50313.68638 36764.73379 75556.84963 73564.56558 122706.4354 79381.45334 31133.96523 38603.2084 59296.92051 30214.16433 58457.44271 54268.68388 30492.66237 1143084.868 138747.2599 31723.61181 128091.7029 122075.9737 67255.82084 56533.94324 9373.776941 577878.8146 32461.14561
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;Glutamate, gamma-methyl ester;(±)-2,2'-Iminobispropanoic acid;hydroxybutyrylglycine 1740789.918 1685827.741 2018004.808 1388361.328 1017845.814 1849079.038 1791439.168 1723123.596 2060190.548 2281539.327 1165958.831 979993.9377 954222.425 1128750.121 1038770.923 1163027.869 1157247.895 1129594.846 1217143.294 960463.7361 1187435.735 2311771.076 2563896.252 2615404.454 2626326.666 2259957.387 2901988.434 3766095.175 3234093.009 3507828.529 2624270.078 2799694.185 1899481.954 2490481.587 2772632.842 1642482.061 1756428.88 1732827.281 2755084.174 2230353.064
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;hydroxybutyrylglycine;(±)-2,2'-Iminobispropanoic acid;Glutamate, gamma-methyl ester 623526.3794 753583.1474 513250.6157 578615.5518 474490.8194 533827.7508 586516.8834 496558.6709 484864.0847 548579.5583 527758.1664 561080.0148 553147.4827 557826.4903 529350.0379 747223.6952 686065.0665 691700.8969 613587.6166 604451.3089 638283.923 652230.3539 448246.4349 415128.4998 492578.3966 596161.1631 548667.9284 456500.6441 590467.4394 551316.0137 666414.7971 650945.8095 447247.4513 800473.8829 627774.8737 578023.9469 519040.136 567224.5181 670151.6293 660342.8004
(R)-4'-phosphonatopantothenate(3-);D-4'-Phosphopantothenate 364609.4922 265594.4756 218532.8001 216924.3821 89969.71411 423634.9673 361283.8677 395710.7831 663912.614 443136.4918 189421.0604 283915.494 175883.2233 366650.357 237308.3796 324601.0159 139637.7043 340439.0279 147238.712 177959.0951 344330.609 283120.5267 193631.7058 523398.3167 284511.5052 259221.4758 345488.7068 588128.6743 647751.0405 640572.9248 394960.5719 429132.8831 396884.827 648619.8942 267623.9267 245405.3342 220163.013 368100.8895 420997.3581 312479.2646
Furanone A;4-Hydroxy-2-butenoic acid gamma-lactone 1119409.007 1104601.377 969520.9131 1151649.862 689136.4976 940836.9656 1113640.528 862297.1491 1058892.944 1049679.059 1073946.872 1118925.517 1222464.053 1111953.473 1100170.226 1219924.611 1211201.658 1052568.984 1153474.642 954471.2186 882952.2204 1216521.422 1096662.214 822408.5532 986243.876 1020817.319 892944.6059 975143.3538 1073480.162 1084321.795 1144745.778 1027782.584 812229.299 1053513.748 874717.7172 820302.9549 886247.835 975942.565 902534.42 859575.4797
Tetraethylene glycol 6637760.032 6647955.966 2752215.721 11588044.3 7528187.835 3293930 3196793.999 2907730.42 3899460.447 3053506.082 3255230.523 5489796.385 4651399.847 3679493.341 3528842.605 3871965.719 3317850.423 2389649.439 3052113.557 6235120.31 3881242.933 2249698.277 2418377.921 3142974.628 2858294.854 3589880.346 6299855.823 4176120.878 3031820.441 3774841.026 3637090.34 5968770.548 3310476.616 4738696.083 4042552.932 2814429.446 1996656.135 2981637.121 4060713.466 5822636.86
(2,6-dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0âµ,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-λâ¶-sulfanylium 326567.5953 332674.0537 322218.672 464905.4065 235131.4167 390945.1346 369690.819 637861.8932 578526.4294 556281.0891 360229.7896 271485.6329 329900.8914 364188.1554 398535.1286 263274.8433 270186.3427 290574.9411 269763.4177 313395.5188 347471.4609 337417.349 244129.9171 339768.689 350842.0265 287266.0088 320009.8631 313066.472 326722.9276 388644.4089 359925.3758 237270.8044 358920.4281 387258.0786 316222.4379 272474.0901 267346.2499 295377.1311 280641.1087 271381.4204
[9,17,19,21-tetrahydroxy-5,13-bis(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-6-yl]oxidanesulfonic acid;(3-{3,5,7-trihydroxy-4-[6,9,17,19,21-pentahydroxy-5,13-bis(3-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-18-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid;[6,9,17,19-tetrahydroxy-5,13-bis(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-21-yl]oxidanesulfonic acid;{3-[6,9,17,19,21-pentahydroxy-5-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-13-yl]phenyl}oxidanesulfonic acid;[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-[6,9,17,19,21-pentahydroxy-5,13-bis(3-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-18-yl]-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid;{3-[6,9,17,19,21-pentahydroxy-13-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-5-yl]phenyl}oxidanesulfonic acid 186244.8674 255454.1196 139024.9248 179558.0043 49559.64753 191390.0735 244062.2541 166770.6132 177642.0751 206697.6417 267696.4245 394121.8736 389946.3167 318259.1224 320073.5911 385240.8839 350788.8783 382054.7102 344312.9283 255316.8806 460802.861 305142.8798 194018.7441 191560.1577 259986.5794 225019.0405 181214.1944 264789.9343 212918.6574 291259.9217 333895.1392 604651.0272 234309.4203 900066.8315 288895.3204 317549.3729 329005.3593 357093.5148 691402.9247 425277.5911
{5-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,â¹.0³,â·.0¹³,¹â·]nonadeca-1(12),2(9),10,13(17)-tetraen-4-yl}oxidanesulfonic acid;{5-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,â¹.0³,â·.0¹³,¹â·]nonadeca-1(12),2(9),10,13(17)-tetraen-14-yl}oxidanesulfonic acid 658631.9484 679024.2311 1243539.336 611335.0003 183638.2259 1992845.163 1000558.085 1737938.791 1952825.394 948333.9482 433866.9568 318135.7627 681667.7185 442862.1549 396608.2557 487769.6234 860037.518 1167825.022 626278.88 578668.7491 223685.1771 518028.5359 581391.1729 990071.8245 589584.6983 978977.2103 443934.3302 1707775.127 1809044.087 1160643.988 309651.295 425673.2931 351981.4403 207557.0036 139768.0964 152947.4378 150414.0195 345090.8307 167883.9014 342955.4373
5-hydroxy-7-methoxy-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one;3,4,5-trihydroxy-6-{4-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid;5-Hydroxyflavone 34107.91633 18691.41783 14121.68408 41449.07976 13765.8453 110034.7801 66646.7865 16374.47935 43433.82265 26025.03943 65070.02218 30313.1826 99420.92318 15224.2054 16433.94247 588908.1495 636307.417 55950.42661 152798.0054 15147.00744 34149.23939 99099.63977 31333.67896 13679.90945 171755.1664 36808.83317 47605.44624 34978.92512 17197.06411 108376.7966 16884.16884 15951.38984 13503.55176 17504.31983 13682.63972 12519.71549 12635.96927 13939.753 16247.71395 12479.44105
6-(1-carboxy-2-methoxy-2-oxoethyl)-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxy]oxane-2-carboxylic acid 1114269.486 1277475.161 822331.8319 904446.8641 181268.9954 1331144.878 1252581.732 1227190.618 1903978.894 872492.3711 559211.0674 1240453.543 407745.6913 816156.4693 862181.724 1244808.091 1411799.04 926040.4949 743044.8013 927648.9367 789228.1287 1421132.123 838500.2594 2656920.978 1776886.226 1084223.019 2032115.027 2034684.744 2756420.784 2849960.399 1377624.73 975352.9939 761716.6946 1885813.903 455319.81 505436.7318 826288.6114 708402.6246 1333617.589 1622205.026
(3-hydroxy-16,17-dimethoxy-9-oxo-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[12.3.1.1²,â¶]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-8-yl)oxidanesulfonic acid 2694124.026 2438247.869 1932375.793 2539859.282 556169.5739 2806341.127 2700199.441 2403049.754 2941063.853 2245698.73 465714.973 668984.9463 489853.4942 611909.1554 600628.7047 408227.685 528317.7171 487330.3634 452542.297 332487.2839 364121.2374 2128571.871 1177037.398 1756202.378 2097182.351 1764809.411 2075010.603 2185342.585 2690167.139 2899393.656 2418446.162 545524.619 338634.0613 248861.5163 341915.1882 348213.3089 298968.0662 421103.171 348274.2391 471272.6436
{2-hydroxy-5-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid 255682.0661 300311.2307 275861.4585 279731.0885 384358.0267 275728.3783 219267.5892 235423.9545 255241.2342 304873.3057 297280.2252 287168.3789 349338.7844 265240.6218 268042.0458 316537.2515 297306.2672 266785.7984 297178.7876 240131.9442 313451.3443 307786.3571 293406.8804 375754.7607 306798.5599 277904.6667 315726.4424 338893.9448 273086.1633 272751.5676 266593.399 379432.1979 302182.8206 433263.8789 317380.9693 393463.4715 339169.1734 311952.1502 314566.8698 315877.8371
{3-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid;{4-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid 546774.6662 206148.8621 489630.9442 232042.6362 298421.4038 192645.5549 119389.1134 107795.3587 58898.86223 121135.3025 559169.5171 131907.6367 415776.143 124861.6036 327745.2648 539269.3132 725223.1889 986190.2655 1289272.24 219104.1628 242850.111 474036.7127 263141.8243 6257.034277 79284.10974 216754.6059 36936.3584 78445.32548 36564.80418 24382.93438 4789.12702 26188.22514 5082.207438 6482.048928 10037.44533 3981.038503 7000.495857 3881.605325 4633.123697 6267.186483
{[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid 1615975.033 2131191.265 1139961.771 1132558.203 2160054.007 1319192.681 937868.8047 1359981.574 1188661.292 1618502.535 1303474.356 1335010.968 1610773.139 1163324.546 1184900.995 1210453.399 1277508.446 1142354.353 1225692.263 1070636.912 1090011.281 1439047.322 1139243.903 961537.8023 1265715.86 1063586.929 1073834.609 999317.4926 1184848.579 1014924.17 1535702.795 976393.6624 958677.8995 1140026.487 1028115.204 995571.1801 888958.4692 1154697.946 936959.268 972573.8745
N-Acetyltaurine;Homocysteinesulfinic acid 2904344.997 2659112.965 2290404.176 2385952.432 1332306.193 2618060.826 2577093.623 2103328.259 2042837.203 2375493.581 2566682.261 2868019.305 2142864.386 3514551.714 1831890.768 3583124.064 2654275.005 3270890.684 2664011.792 2314557.94 3112682.281 2632758.344 2427588.07 2069190.205 2107258.288 2525985.92 3044524.309 2490945.578 2517730.19 3516023.323 3124802.698 4183020.082 2425177.119 3800665.602 2982217.836 2621495.013 2459327.424 2790204.149 3450913.742 3263237.033
Tromethamine 2037833.537 5137698.4 493758.9188 4321015.644 5956412.078 5941699.929 580803.7062 10548184.03 1279778.468 1026130.354 3403351.463 1512102.984 3759816.156 10222262.67 4135830.158 556268.0891 512969.325 1360069.563 394446.753 1431700 1611800.474 1569144.831 459760.4458 395504.213 537898.9961 1870593.373 2099149.457 1319289.247 1440026.88 908346.4193 8679619.367 8850480.725 8435464.452 10751190.41 826773.0349 2361905.166 1585217.445 3364295.263 13273639.36 27080266.64
2-O-Methylascorbic acid;3-Dehydroquinate;2-Hydroxy-2-(2-oxopropyl)butanedioic acid 2203374.471 2339188.683 2167891.215 2146170.995 897861.2336 2526615.71 2861832.479 2163089.405 2262577.528 2342967.228 1243562.326 1573559.545 1535835.879 1567427.969 1773685.104 1681808.161 1590422.812 1795377.382 1643432.399 1327464.38 2888768.554 4168957.521 2552658.939 2352157.652 3358180.789 3781955.691 2781322.075 2726478.388 3526752.58 3572428.035 4332302.825 4085891.954 2740492.505 4243750.272 3166120.475 2996872.023 2453412.976 2736920.397 3083067.05 3255306.724
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Deoxyuridine
Ureidopropionic acid
Carnosine
Adenine
Betaine
Adenosine monophosphate
Adenosine
Argininosuccinic acid
Cyclic AMP
L-Carnitine
Creatine
Deoxyinosine
cis-Aconitic acid
Glycerophosphocholine
Cytidine
Citric acid
Cytidine monophosphate
Choline
L-Cystathionine
Deoxyadenosine
D-Glucose
Glycine
Fructose 6-phosphate
Glutathione
Glycerol 3-phosphate
D-Glucuronic acid
Guanidoacetic acid
Guanine
Guanosine
Fumaric acid
L-Glutamic acid
Hypoxanthine
L-Tyrosine
L-Phenylalanine
L-Alanine
L-Proline
L-Threonine
L-Asparagine
L-Isoleucine
Inosinic acid
L-Histidine
L-Lysine
L-Serine
L-Lactic acid
L-Aspartic acid
L-Cystine
Inosine
L-Acetylcarnitine
N6-Acetyl-L-lysine
Oxoglutaric acid
Pantothenic acid
Ornithine
N-Acetyl-D-glucosamine
NADP
Palmitic acid
NADPH
Oxalacetic acid
O-Phosphoethanolamine
Orotic acid
Nicotinamide ribotide
Thiamine
Pyruvic acid
Riboflavin
Taurine
Succinic acid
Thymine
Phosphoenolpyruvic acid
Pyroglutamic acid
Thymidine
D-Ribose
Uridine diphosphate glucose
Uridine 5'-monophosphate
Uric acid
Uridine diphosphate-N-acetylglucosamine
Xanthine
Uridine 5'-diphosphate
Uridine
Uracil
Urocanic acid
3-Hydroxymethylglutaric acid
Allantoin
3-Methylhistidine
Caprylic acid
Aminoadipic acid
L-Arginine
Adenosine triphosphate
Creatinine
Galactonic acid
D-2-Hydroxyglutaric acid
D-Ribulose 5-phosphate
Gluconic acid
Cytosine
L-Glutamine
D-Fructose
Indolelactic acid
Indoxyl sulfate
L-Kynurenine
L-Leucine
Isovalerylcarnitine
L-Methionine
1-Methylnicotinamide
Hexanoylcarnitine
Hippuric acid
L-Pipecolic acid
L-Homoserine
4-Hydroxyproline
Malic acid
N-Acetyl-L-alanine
3-Phosphoglyceric acid
N-Acetyl-L-aspartic acid
Propionylcarnitine
Ureidosuccinic acid
Nicotinamide riboside
L-Valine
NAD
Citrulline
L-Tryptophan
Uridine diphosphate glucuronic acid
S-Adenosylhomocysteine
Hypotaurine
N-Formyl-L-methionine
Deoxyribose 5-phosphate
Fructose 1,6-bisphosphate
N-Acetylaspartylglutamic acid
D-Sedoheptulose 7-phosphate
D-Glyceraldehyde 3-phosphate
N-Acetylglutamic acid
4-Trimethylammoniobutanoic acid
S-Adenosylmethionine
Guanosine diphosphate
Acetyl-CoA
5-Thymidylic acid
FAD
Glucosamine 6-phosphate
6-Phosphogluconic acid
D-Erythrose 4-phosphate
N6,N6,N6-Trimethyl-L-lysine
ADP
Purine
N-Acetyl-glucosamine 1-phosphate
Guanosine monophosphate
Glucose 6-phosphate
Niacinamide
Citicoline
Coenzyme A
NADH
Phosphocreatine
Glucosamine
AICAR
Flavin Mononucleotide
Asymmetric dimethylarginine
D-Ribose 5-phosphate
CDP-Ethanolamine
Phosphorylcholine
2-Hydroxycaproic acid
2-Hydroxyvaleric acid
Acetylcysteine
Butyrylcarnitine
Imidazoleacetic acid
N-Acetylputrescine
Thiamine monophosphate
1-Methyladenosine
Oxidized glutathione
L-Dihydroorotic acid
GDP-glucose
N-Acetylornithine
N-Acetylasparagine
N-Acetylglutamine
L-Glyceric acid
ADP-glucose
N-Acetyl-L-methionine
N-acetyltryptophan
1-Methylhistidine
1-Methylhistidine.2
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;Epinine;Norpandamarilactonine A;2-(2-Furanyl)-3-piperidinol;1-(3-Pyridinyl)-1,4-butanediol;D-synephrine;a-Methyldopamine;4-Hydroxynorephedrine
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;Epinine;Norpandamarilactonine A;2-(2-Furanyl)-3-piperidinol;1-(3-Pyridinyl)-1,4-butanediol;D-synephrine;a-Methyldopamine;4-Hydroxynorephedrine.2
Biotin;Flurbiprofen
Taurocholic acid;Taurohyocholate;Tauroursocholic acid;Tauro-b-muricholic acid;Taurallocholic acid
beta-Alanine;Sarcosine;D-Alanine;(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein);Ethyl carbamate
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;3-Acetamidobutanal;N4-Acetylaminobutanal;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;D-pipecolate
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;D-pipecolate;1-Piperidine carboxylic acid;(2E)-Decenoyl-ACP;N4-Acetylaminobutanal;3-Acetamidobutanal
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;1-Piperidine carboxylic acid;D-pipecolate;3-Acetamidobutanal;(2E)-Decenoyl-ACP;N4-Acetylaminobutanal
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;2-Pyrrolidineacetic acid;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;1-Piperidine carboxylic acid;D-pipecolate;3-Acetamidobutanal;(2E)-Decenoyl-ACP;N4-Acetylaminobutanal
Dihydrouracil;N-Methylhydantoin;L-3-Cyanoalanine
Dihydrouracil;N-Methylhydantoin;L-3-Cyanoalanine.2
Cysteinylglycine;Glycyl-Cysteine
Dihydrothymine;Squamolone;L-Cyclo(alanylglycyl);Pyroglutamine
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.2
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.3
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.4
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.5
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.6
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.7
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.8
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.9
Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.10
Deoxyguanosine;Vidarabine;Zidovudine
Deoxyguanosine;Vidarabine;Zidovudine.2
Deoxyguanosine;Vidarabine;Zidovudine.3
Deoxyguanosine;Vidarabine;Zidovudine.4
Deoxyguanosine;Vidarabine;Zidovudine.5
Deoxyguanosine;Vidarabine;Zidovudine.6
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;O-Acetylethanolamine;3-Aminobutanoic acid;N-Ethylglycine
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;O-Acetylethanolamine;3-Aminobutanoic acid;N-Ethylglycine.2
Glycerylphosphorylethanolamine;sn-glycero-3-Phosphoethanolamine
Glycolic acid;Peracetic acid
Homovanillic acid;Hydroxyphenyllactic acid;3,4-Dihydroxyhydrocinnamic acid;3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid;Isohomovanillic acid;Meta-hydroxyphenylhydracrylic Acid;2,6-Dimethoxybenzoic acid;5-ethenyl-3-methoxybenzene-1,2,4-triol;3,4-Dimethoxybenzoic acid;Methyl vanillate;3-Methoxy-4-hydroxyphenylglycolaldehyde;3-(2,5-dihydroxyphenyl)propanoic acid;2',6'-Dihydroxy-4'-methoxyacetophenone;2-hydroxy-2-(3-methoxyphenyl)acetic acid;Maltol propionate;2-(2,4-dihydroxyphenyl)propanoic acid;2-(3,4-dihydroxyphenyl)propanoic acid;4-ethenyl-6-methoxybenzene-1,2,3-triol;3-(2,4-dihydroxyphenyl)propanoic acid;3-(2,3-dihydroxyphenyl)propanoic acid;3,5-dimethoxybenzoic acid;2-hydroxy-3-(3-hydroxyphenyl)propanoic acid;3-(3,5-dihydroxyphenyl)propanoic acid;2',4'-Dihydroxy-6'-methoxyacetophenone;3-hydroxy-3-(4-hydroxyphenyl)propanoic acid;(±)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid;2-(3-hydroxy-5-methoxyphenyl)acetic acid;2-hydroxy-2-(4-methoxyphenyl)acetic acid;3-Hydroxyphenyllactate
L-Malic acid;D-Malic acid;Velcorin
Maleic acid
Maleic acid.2
Isocitric acid;Diketogulonic acid;2,3-diketogulonate;(1R,2R)-Isocitric acid;D-threo-Isocitric acid;2,3-Diketo-L-gulonate;D-Glucaro-1,4-lactone
Anserine;Homocarnosine;Balenine
Anserine;Homocarnosine;Balenine.1
Anserine;Homocarnosine;Balenine.2
Indoleacetic acid;5-Hydroxyindoleacetaldehyde;1-Methoxy-1H-indole-3-carboxaldehyde;Hydroxymethyl indol-3-yl ketone
Methylmalonic acid;Threonolactone;xi-3-Hydroxy-2-oxobutanoic acid;4-Hydroxy-2-oxobutanoic acid;Erythrono-1,4-lactone;3-methoxy-3-oxopropanoic acid
Methylmalonic acid;3-methoxy-3-oxopropanoic acid;4-Hydroxy-2-oxobutanoic acid;xi-3-Hydroxy-2-oxobutanoic acid;Erythrono-1,4-lactone;Threonolactone
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid
Propionic acid;Methyl acetate;Hydroxyacetone;Lactaldehyde;3-Hydroxypropanal;D-Lactaldehyde;Ethyl formate
Sorbitol;Mannitol;Galactitol;L-Iditol
Pyrophosphate
Serotonin;Cotinine
Serotonin;Cotinine.2
Tyramine;2-Hydroxyphenethylamine;m-Tyramine;2-Acetyl-1-ethylpyrrole;(±)-2-(2-Furanyl)pyrrolidine;1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one;Tyraminium;Dimethylaniline-N-oxide;Phenylethanolaminium;4-Hydroxy-2,6-dimethylaniline
Tyramine;2-Hydroxyphenethylamine;m-Tyramine;1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one;(±)-2-(2-Furanyl)pyrrolidine;2-Acetyl-1-ethylpyrrole;4-Hydroxy-2,6-dimethylaniline;Phenylethanolaminium;Dimethylaniline-N-oxide;Tyraminium
3-Amino-2-piperidone;N-Mononitrosopiperazine
3-Hydroxybutyric acid;2-Hydroxybutyric acid;(R)-3-Hydroxybutyric acid;4-Hydroxybutyric acid;(S)-3-Hydroxyisobutyric acid;Alpha-Hydroxyisobutyric acid;(R)-3-Hydroxyisobutyric acid;(S)-3-Hydroxybutyric acid;Ethoxyacetic acid;3-hydroxy-2-methylpropanoic acid;2-Methyl-3-hydroxypropanoate;3-hydroxy-2-isobutyrate
3-Hydroxybutyric acid;2-Hydroxybutyric acid;(R)-3-Hydroxybutyric acid;4-Hydroxybutyric acid;(S)-3-Hydroxyisobutyric acid;Alpha-Hydroxyisobutyric acid;(R)-3-Hydroxyisobutyric acid;(S)-3-Hydroxybutyric acid;Ethoxyacetic acid;3-hydroxy-2-methylpropanoic acid;3-hydroxy-2-isobutyrate;2-Methyl-3-hydroxypropanoate
3-Hydroxybutyric acid;2-Hydroxybutyric acid;(R)-3-Hydroxybutyric acid;4-Hydroxybutyric acid;(S)-3-Hydroxyisobutyric acid;Alpha-Hydroxyisobutyric acid;(R)-3-Hydroxyisobutyric acid;(S)-3-Hydroxybutyric acid;Ethoxyacetic acid;3-hydroxy-2-methylpropanoic acid;3-hydroxy-2-isobutyrate;2-Methyl-3-hydroxypropanoate.2
2-Methylcitric acid;(R)-lipoic acid;(S)-lipoic acid;Homocitric acid;3-(Carboxymethyl)-3-hydroxypentanedioic acid;Methylisocitric acid
Adipic acid;Methylglutaric acid;2-Methylglutaric acid;Dimethyl succinate;4-Ethoxy-4-oxobutanoic acid;Solerol;Monomethyl glutaric acid;2,2-Dimethylsuccinic acid;(S)-2-Aceto-2-hydroxybutanoic acid
Adipic acid;Methylglutaric acid;2-Methylglutaric acid;Dimethyl succinate;4-Ethoxy-4-oxobutanoic acid;Solerol;Monomethyl glutaric acid;2,2-Dimethylsuccinic acid;(S)-2-Aceto-2-hydroxybutanoic acid.2
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Ethyl hydrogen fumarate;Maleic acid homopolymer;Dimethyl fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone
Adenylsuccinic acid;N(6)-(1,2-dicarboxyethyl)AMP
8-Hydroxyadenine;2-Hydroxyadenine
8-Hydroxyadenine;2-Hydroxyadenine.2
L-Alloisoleucine;L-Norleucine;Beta-Leucine;Aminocaproic acid;1-Nitrohexane;(±)-erythro-Isoleucine;N-methylvaline;6-Deoxyfagomine;3-Aminocaproic acid;D-Leucine;N-(2-Hydroxyethyl)-morpholine;3,3,5-triiodo-L-thyronine-beta-D-glucuronoside
L-Alloisoleucine;L-Norleucine;Beta-Leucine;Aminocaproic acid;1-Nitrohexane;(±)-erythro-Isoleucine;N-methylvaline;6-Deoxyfagomine;3-Aminocaproic acid;D-Leucine;N-(2-Hydroxyethyl)-morpholine;3,3,5-triiodo-L-thyronine-beta-D-glucuronoside.2
2-Furoic acid;3-Furoic acid;3-Hydroxy-2H-pyran-2-one;2,3-Dihydroxy-2,4-cyclopentadien-1-one
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;2,5-Dioxopentanoate;Mesaconic acid;2-Hydroxyglutaric acid lactone;Gamma-delta-Dioxovaleric acid
Decanoylcarnitine;O-decanoyl-L-carnitine
Cysteineglutathione disulfide
Glucaric acid;Galactaric acid;D-Glucaric acid
Homo-L-arginine;L-Targinine
Homo-L-arginine;L-Targinine.2
Isovalerylglycine;2-Methylbutyrylglycine;3-Dehydrocarnitine;N-Acetylvaline;Valerylglycine;5-Acetamidovalerate;Betonicine;Calystegin A3;Calystegine A7;Calystegine A6;Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate;Turicine;Medicanine;4-Hydroxystachydrine
Glycylproline;Prolylglycine
Hydroxykynurenine;L-3-Hydroxykynurenine;Stavudine;5-Hydroxykynurenine;L-Nicotianine
Indoleacrylic acid;N-(2,5-Dihydroxyphenyl)pyridinium(1+)
Azelaic acid;Nonate;2,4-Dimethylpimelic acid;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate;3-Methylsuberic acid;(+/-)-Methyl 5-acetoxyhexanoate;Diethyl glutarate;Diethyl methylsuccinate;Butyl ethyl malonate
Orotidine
L-Octanoylcarnitine
L-Octanoylcarnitine.2
Monoiodothyronine
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;(S)-5-Amino-3-oxohexanoate;2-Keto-6-aminocaproate;(S)-2-amino-6-oxohexanoate;N-(2-Carboxymethyl)-morpholine
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;(S)-5-Amino-3-oxohexanoate;2-Keto-6-aminocaproate;(S)-2-amino-6-oxohexanoate;N-(2-Carboxymethyl)-morpholine.2
Phosphoglycolic acid
N-Glycolylneuraminic acid;NeuNGc
Histamine;Betazole;Histamium
Histamine;Betazole;Histamium.2
1-Methylhistamine;3-Methylhistamine;N(tele)-methylhistaminium;N-Methylhistamine
Succinyladenosine
Trimethylamine N-oxide;1-Amino-propan-2-ol;2-(methylamino)ethan-1-ol;3-aminopropan-1-ol
Threonic acid;Erythronic acid;L-threonic Acid
Threonic acid;Erythronic acid;L-threonic Acid.2
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-)
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-).2
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-).3
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-).4
DL-2-Aminooctanoic acid;Pregabalin;Methacholine;Propionylcholine
gamma-Glutamylcysteine;Glutamylcysteine;Cysteinyl-Glutamate
D-1-Piperideine-2-carboxylic acid;(±)-4-Methylene-2-pyrrolidinecarboxylic acid;1-piperideine-2-carboxylate;(S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate;(S)-2,3,4,5-tetrahydropyridine-2-carboxylate;1-piperideine-6-carboxylate
2-Aminobenzoic acid;Trigonelline;p-Aminobenzoic acid;3-Pyridylacetic acid;Salicylamide;m-Aminobenzoic acid;Methyl nicotinate;2-Pyridylacetic acid
Inositol cyclic phosphate
Inositol cyclic phosphate.2
5-Aminolevulinic acid;N-Acetyl-beta-alanine;Propionylglycine;5-Amino-2-oxopentanoic acid;cis-4-Hydroxy-D-proline;4-Hydroxy-2-pyrrolidinecarboxylic acid;Trans-3-hydroxy-L-proline;L-Glutamic gamma-semialdehyde;cis-4-Hydroxyproline;3-Hydroxy-L-proline
Adenosine diphosphate ribose;Phosphoribosyl-AMP
Indoleacetaldehyde;N-Hydroxy-1-aminonaphthalene
Indoleacetaldehyde;N-Hydroxy-1-aminonaphthalene.2
N-Acetylarylamine;2'-Aminoacetophenone;4-Acetyl-2-methylpyridine;2-Acetyl-4-methylpyridine;2-Acetyl-5-methylpyridine;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;2-Aminoacetophenone;2-Acetyl-6-methylpyridine;4-Acetyl-3-methylpyridine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Phenylacetamide
N-Acetylarylamine;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2'-Aminoacetophenone;4-Acetyl-3-methylpyridine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Acetyl-6-methylpyridine;2-Acetyl-5-methylpyridine;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;2-Aminoacetophenone;2-Phenylacetamide
Fucose 1-phosphate
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;N-Acryloylglycine;5-Oxoprolinate;1-Pyrroline-4-hydroxy-2-carboxylate;dimethadione;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;5-Oxoprolinate;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;5-Oxoprolinate;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione.2
Diaminopimelic acid;Alanyl-Threonine;Threoninyl-Alanine;N-(gamma-Glutamyl)ethanolamine;2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid
Hydroxycotinine;Cotinine N-oxide;5'-Hydroxycotinine;Oxoamide;N'-Hydroxymethylnorcotinine
Pantetheine 4'-phosphate
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate.2
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate.3
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate.4
Xanthylic acid;5'-xanthylate(2-)
m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal;2-Hydroxycinnamic acid;3-(2,5-dihydroxyphenyl)prop-2-enal;3-(2,3-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;Enol-phenylpyruvate;Methyl Phenylglyoxalate;Trans-3-coumarate;Cis-2-coumarate
DL-O-Phosphoserine
DL-O-Phosphoserine.2
Phenylpropanolamine;N-Methyltyramine;1,2,3,4,5,6-Hexahydro-6-methyl-7H-cyclopenta[b]pyridin-7-one;2-(2-Furanyl)piperidine;N-Methylphenylethanolamine;1,2,3,4,5,6-Hexahydro-5-methyl-7H-cyclopenta[b]pyridin-7-one;2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine;2-(1-Pyrrolidinyl)-2-cyclopenten-1-one;2-(5-Methyl-2-furanyl)pyrrolidine;1-Furfurylpyrrolidine;2,3,4,5,6,7-Hexahydrocyclopent[b]azepin-8(1H)-one;4-Hydroxyamphetamine;N-methylphenylethanolaminium
Chlorate
N(6)-Methyllysine;Putreanine;Bethanechol;Isoputreanine
N(6)-Methyllysine;Bethanechol;Putreanine;Isoputreanine
Malonylcarnitine;O-malonyl-L-carnitine;Linamarin
S-(2-carboxypropyl)-Cysteamine;S-Propyl-L-cysteine;L-2-Amino-5-(methylthio)pentanoic acid;S-Methylmethionine
3-Hydroxycapric acid;2-Hydroxydecanoate;2-Hexyl-1,3-dioxolane-4-methanol;Ethyl (±)-3-hydroxyoctanoate;xi-5-Hydroxydecanoic acid;(1R,2R,4S)-p-Menthane-1,2,8-triol;7-Methyl-3-methylene-1,6,7-octanetriol;2,6-Dimethyl-7-octene-2,3,6-triol;(1R,2R,4R,8R)-p-Menthane-2,8,9-triol;cis-p-Menthane-1,7,8-triol;(1S,2S,4R,8R)-p-Menthane-1,2,9-triol;9-Hydroxydecanoic acid;2-Hexyl-1,3-dioxan-5-ol;(R)-3-Hydroxydecanoic acid
Imidazolelactic acid;4-Imidazolone-5-propionic acid;5-Hydroxymethyl-4-methyluracil;5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide
Imidazolelactic acid;4-Imidazolone-5-propionic acid;5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide;5-Hydroxymethyl-4-methyluracil
Tiglylcarnitine
A-Ketoglutaric acid oxime;N-Formyl-L-aspartate
A-Ketoglutaric acid oxime;N-Formyl-L-aspartate.2
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil
N-Methylnicotinamide;Pralidoxime;2-Aminobenzamide;2-Methylnicotinamide;2-Acetyl-3-methylpyrazine;4-Acetyl-2-methylpyrimidine;1,2-Diacylglycerol-Bile-PC-pool;1,2-Diacylglycerol-LD-PC-pool
D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;3-(Carboxymethylamino)propanoic acid;N-lactoyl-Glycine;DL-Glutamate;L-4-Hydroxyglutamate semialdehyde
5-Aminopentanoic acid;Norvaline;Vaporole;Amyl Nitrite;N-Methyl-a-aminoisobutyric acid;Trimethylammonioacetate
Quinone;1,2-Benzoquinone
D-Ornithine
D-Proline;4-Amino-2-methylenebutanoic acid;Pterolactam;Acetamidopropanal
D-Proline;Pterolactam;4-Amino-2-methylenebutanoic acid;Acetamidopropanal
D-Proline;Pterolactam;4-Amino-2-methylenebutanoic acid;Acetamidopropanal.2
D-Arginine;L-argininium(1+)
D-Arginine;L-argininium(1+).2
D-Arginine;L-argininium(1+).3
Taurocyamine
(R)-N-Methylsalsolinol;(S)-N-Methylsalsolinol;(-)-Salsoline;2-Isopropylphenyl methylcarbamate;Ethyl N-ethylanthranilate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline
(R)-N-Methylsalsolinol;(S)-N-Methylsalsolinol;2-Isopropylphenyl methylcarbamate;Ethyl N-ethylanthranilate;2-Methylpropyl 2-aminobenzoate;(-)-Salsoline;Butyl 2-aminobenzoate;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline
Epsilon-(gamma-Glutamyl)-lysine;Glutamyllysine;Lysyl-Glutamate;gamma-Glutamyllysine
2-Hydroxyethanesulfonate;Ethyl hydrogen sulfate
N6-Methyladenosine;2'-O-Methyladenosine;N-(1-Deoxy-1-fructosyl)threonine;3'-O-Methyladenosine
N6-Methyladenosine;2'-O-Methyladenosine;N-(1-Deoxy-1-fructosyl)threonine;3'-O-Methyladenosine.2
N1-Methyl-2-pyridone-5-carboxamide;N1-Methyl-4-pyridone-3-carboxamide
Imidazolone
Diethanolamine
Diethanolamine.2
N2,N2-Dimethylguanosine;1,7-Dimethylguanosine
Proline betaine;L-2-Amino-3-methylenehexanoic acid;3beta,6beta-Dihydroxynortropane
Proline betaine;3beta,6beta-Dihydroxynortropane;L-2-Amino-3-methylenehexanoic acid
Sertraline
Ophthalmic acid
Hydroxytyrosol;3,5-Dimethoxyphenol;5-ethylbenzene-1,2,3-triol;2,3-dimethoxyphenol;5-methoxy-2-methylbenzene-1,3-diol;Propyl 2-furoate;2,6-Dimethoxyphenol;4-Hydroxy-3-methoxybenzenemethanol;Sylvopinol;1-(4-hydroxyphenyl)ethane-1,2-diol;5-methoxy-4-methylbenzene-1,3-diol;2-Furanylmethyl propanoate;2,4-dimethylbenzene-1,3,5-triol
Formononetin;Homolanthionine;3-(3-hydroxyphenyl)-7-methoxy-4H-chromen-4-one;Trigraecum;5-hydroxy-7-methoxy-3-phenyl-4H-chromen-4-one;5-hydroxy-6-methoxy-2-phenyl-4H-chromen-4-one;1,3-Dimethoxyanthraquinone;6-hydroxy-5-methoxy-2-phenyl-4H-chromen-4-one;7-hydroxy-3-(3-methoxyphenyl)-4H-chromen-4-one;7-hydroxy-5-methoxy-2-phenyl-4H-chromen-4-one;8-Hydroxy-1-methoxy-3-methylanthraquinone;Isoformononetin;7-hydroxy-5-methoxy-3-phenyl-4H-chromen-4-one;7-hydroxy-6-methoxy-3-phenyl-4H-chromen-4-one
Malondialdehyde;Pyruvaldehyde;Acrylic acid
Malondialdehyde;Pyruvaldehyde;Acrylic acid.2
4-Hydroxydebrisoquine;N'-nitrosoanabasine
Nervonyl carnitine;Triethylamine;Hexylamine
gamma-Glutamylisoleucine;gamma-Glutamylleucine;Isoleucyl-Glutamate;Leucyl-Glutamate;Glutamylleucine;Glutamylisoleucine
Leucylproline;Isoleucylproline
Leucylproline;Isoleucylproline.2
Leucylproline;Isoleucylproline.3
Leucylproline;Isoleucylproline.4
Leucylproline;Isoleucylproline.5
Leucylproline;Isoleucylproline.6
3-Oxoalanine;Pyruvatoxime
p-Cresol sulfate;Benzyl sulfate
1-(sn-Glycero-3-phospho)-1D-myo-inositol
Glycyl-glycine;Ureidopropionic acid;N-Carbamoylsarcosine;N-carbamoyl-beta-alaninate;D-Asparagine
Dihydroxyacetone Phosphate Acyl Ester
2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;3,5,7-trihydroxy-6-methoxy-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-one;3,5,7-trihydroxy-6-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one;3,5,7-trihydroxy-6-methoxy-2-(2,3,4-trihydroxyphenyl)-4H-chromen-4-one;2-(2,5-dihydroxy-4-methoxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one;Inosine 2'-phosphate
Histidinal
N-Succinyl-L,L-2,6-diaminopimelate
Butenylcarnitine
Butenylcarnitine.2
Hydroxybutyrylcarnitine;(R)-3-hydroxybutyrylcarnitine
Hydroxybutyrylcarnitine;(R)-3-hydroxybutyrylcarnitine.2
Hydroxyhexanoycarnitine
Hydroxyhexanoycarnitine.2
9-Decenoylcarnitine
Beta-Citryl-L-glutamic acid
Beta-Guanidinopropionic acid
Beta-Guanidinopropionic acid.2
Beta-Guanidinopropionic acid.3
Beta-Guanidinopropionic acid.4
Beta-Guanidinopropionic acid.5
Beta-Guanidinopropionic acid.6
Beta-Guanidinopropionic acid.7
Beta-Guanidinopropionic acid.8
Beta-Guanidinopropionic acid.9
Beta-Guanidinopropionic acid.10
Beta-Guanidinopropionic acid.11
Beta-Guanidinopropionic acid.12
Beta-Guanidinopropionic acid.13
Beta-Guanidinopropionic acid.14
Beta-Guanidinopropionic acid.15
Beta-Guanidinopropionic acid.16
Beta-Guanidinopropionic acid.17
Beta-Guanidinopropionic acid.18
Beta-Guanidinopropionic acid.19
Beta-Guanidinopropionic acid.20
Beta-Guanidinopropionic acid.21
Beta-Guanidinopropionic acid.22
Caproylcholine
Heptanoylcarnitine
N-Undecanoylglycine
Ne,Ne dimethyllysine
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate.2
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate.3
D-Tryptophan;(±)-Tryptophan;Ethotoin;3-Hydroxymethylantipyrine;S-nirvanol;Nirvanol;4-Hydroxyantipyrine
Urolithin B;2-Hydroxyxanthone;4-Hydroxyxanthone
2-Hydroxypyridine;1H-Pyrrole-2-carboxaldehyde
1-Nitroheptane;2-Aminoheptanoate;3-Dehydroxycarnitine
1-Nitroheptane;2-Aminoheptanoate;3-Dehydroxycarnitine.2
p-Chlorobenzene sulfonyl urea
Trifluoroacetic acid
Mexiletine;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;Methylephedrine;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;Methoxyphenamine
Mexiletine;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;Methylephedrine;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;Methoxyphenamine
Allopurinol;1-Pentanesulfenothioic acid;Ethyl isopropyl disulfide;Ethyl propyl disulfide
Allopurinol;Ethyl propyl disulfide;1-Pentanesulfenothioic acid;Ethyl isopropyl disulfide
Acamprosate
Methoxamine;Isoproterenol;Orciprenaline
Clavulanate;(S)-alpha-Amino-4-carboxy-3-furanpropanoic acid
Phenmetrazine;(S)-Valerianine;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;Mephedrone
Phenmetrazine;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;(S)-Valerianine;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;Mephedrone
Pirbuterol
Pirbuterol.2
Pirbuterol.3
Glycodiazine
Alanyl-Alanine;D-Alanyl-D-alanine;4-Acetamido-2-aminobutanoic acid
Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamylalanine;Hydroxyprolyl-Serine;N-gamma-L-Glutamyl-D-alanine;Serinyl-Hydroxyproline
Alanyl-Histidine;Histidinyl-Alanine;(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin
Alanyl-Proline;Prolyl-Alanine
Aspartyl-Aspartate;L-beta-aspartyl-L-aspartic acid
Aspartyl-Proline;Aspartyl-L-proline;(2S,3'S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid;(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole;1-(gamma-Glutamylamino)cyclopropanecarboxylic acid;Prolyl-Aspartate
Glutaminylglycine;Glycyl-Glutamine;Asparaginyl-Alanine;Alanyl-Asparagine;Glycyl-Gamma-glutamate
Glutaminylproline;Prolyl-Glutamine;Prolyl-Gamma-glutamate
Glutamylglycine;Aspartyl-Alanine;Glycyl-Glutamate;gamma-Glutamylglycine;L-beta-aspartyl-L-alanine ;Alanyl-Aspartic acid
Glycyl-Threonine;Alanyl-Serine;Threoninyl-Glycine;Serylalanine
Histidinyl-Glycine;Glycyl-Histidine
Lysyl-Valine;Valyl-Lysine
Prolyl-Valine;Valyl-Proline;Dethiobiotin
Prolyl-Valine;Valyl-Proline;Dethiobiotin.2
Serylproline;Prolyl-Serine;L-Coprine;Alanyl-Hydroxyproline;Hydroxyprolyl-Alanine
Serylvaline;Valyl-Serine;N6-Acetyl-5S-hydroxy-L-lysine;3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide
Serylvaline;Valyl-Serine;3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide;N6-Acetyl-5S-hydroxy-L-lysine
Threoninyl-Leucine;Isoleucyl-Threonine;Leucyl-Threonine;Threoninyl-Isoleucine;Spermic acid 2
N-gamma-Glutamylglutamine;N2-gamma-Glutamylglutamine;Glutamylglutamine;Glutaminylglutamic acid;Glutamyl-Gamma-glutamate;Norophthalmic acid
L-3-Aminodihydro-2(3H)-furanone;(S)-2-Azetidinecarboxylic acid;1-Aminocyclopropanecarboxylic acid
S-Carboxymethyl-L-cysteine
S-Cysteinosuccinic acid
(2S,4S)-Pinnatanine;Glutamylproline;Hydroxyprolyl-Hydroxyproline;gamma-Glutamylproline;Prolyl-Glutamate
Dantron;Xanthopurpurin
D-glycero-L-galacto-Octulose
N-Isobutyl-2,4,8-decatrienamide;N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide;Sarmentine
(R)-Dihydromaleimide
Methylisopelletierine;2-(1-Pyrrolidinyl)-3-pentanone;2,2,6,6-Tetramethyl-4-piperidinone;3-(1-Pyrrolidinyl)-2-pentanone
3-O-Feruloylquinic acid;3,4,5-trihydroxy-6-{3-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(6-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[1-(4-methoxy-1-benzofuran-5-yl)ethoxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{[2-(hydroxymethyl)-2-methyl-2H-chromen-5-yl]oxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(7-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[2-methoxy-4-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid;6-({5,5-dimethyl-3,6-dioxatricyclo[5.4.0.0²,â´]undeca-1(11),7,9-trien-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;3-O-Caffeoyl-1-O-methylquinic acid;3-O-Caffeoyl-4-O-methylquinic acid
Sarmentosin;Ethenodeoxyadenosine
Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxybenzene;Methyl 2-furoate;5-Methylfuran-2-carboxylic acid;benzene-1,2,4-triol;5-Hydroxymethyl-2-furancarboxaldehyde;4-Hydroxy-2H-pyran-3-carboxaldehyde;(Z)-Tamarindienal
Garcinia acid
6-Hydroxy-1H-indole-3-acetamide
6-Hydroxy-1H-indole-3-acetamide.2
1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactone
1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactone.2
2,5-Dihydro-2,4,5-trimethyloxazole;2-Acetylpyrrolidine;1-Piperidinecarboxaldehyde;Epsilon-caprolactam
Dipropyl disulfide;1,6-Hexanedithiol;xi-1-(Propylthio)-1-propanethiol;Methyl pentyl disulfide;Methyl isopentyl disulfide;Butyl ethyl disulfide;Diisopropyl disulfide;1-Methylhypoxanthine ;7-Methylhypoxanthine
Pyrrolidine
N-Nitroso-pyrrolidine;Gyromitrin
N-(3-Methylbutyl)acetamide;N-(2-Methylpropyl)acetamide;Trimethylaminoacetone
N-(3-Methylbutyl)acetamide;N-(2-Methylpropyl)acetamide;Trimethylaminoacetone.2
L-2-Amino-5-hydroxypentanoic acid;1,4-Dideoxy-1,4-imino-D-ribitol;N-Lactoyl ethanolamine
1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione
(±)-2-Methylthiazolidine
2-Acetylpyrazine
2-Acetylpyrazine.2
Sulforhodamine B
1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid
Koeniginequinone B;Pummeline;4-hydroxy ketorolac
Triethanolamine
Fagomine;2-amino-6-hydroxyhexanoic acid;(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid;N-(2-Hydroxyethyl)-morpholine N-oxide
Fagomine;2-amino-6-hydroxyhexanoic acid;(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid;N-(2-Hydroxyethyl)-morpholine N-oxide.2
(3R,7R)-1,3,7-Octanetriol
2-Diethylaminoethanol
Thiolutin
L-2-Amino-3-(1-pyrazolyl)propanoic acid
L-2-Amino-3-(1-pyrazolyl)propanoic acid.2
L-2-Amino-3-(1-pyrazolyl)propanoic acid.3
Piperidine
Piperidine.2
Piperidine.3
Cepharadione A
5-(4-Acetoxy-1-butynyl)-2,2'-bithiophene
7-beta-D-Glucopyranosyloxybutylidenephthalide;3,4,5-trihydroxy-6-[4-(4-methyl-3-oxopent-1-en-1-yl)phenoxy]oxane-2-carboxylic acid
Sulfentrazone
(R)-2-Nitro-p-mentha-1,5-diene;cis-6-Nitro-p-mentha-1(7),2-diene;2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone;2-(5-Methyl-2-furanyl)-3-piperidinol;beta-O-Methylynephrine;5-(1-Pyrrolidinylmethyl)-2-furanmethanol;3-O-Methyl-a-methyldopamine;3,4-Dimethoxyphenylethylamine
(R)-2-Nitro-p-mentha-1,5-diene;cis-6-Nitro-p-mentha-1(7),2-diene;2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone;2-(5-Methyl-2-furanyl)-3-piperidinol;beta-O-Methylynephrine;5-(1-Pyrrolidinylmethyl)-2-furanmethanol;3-O-Methyl-a-methyldopamine;3,4-Dimethoxyphenylethylamine.2
1-Aminocyclopropanecarboxylic acid;L-3-Aminodihydro-2(3H)-furanone;(S)-2-Azetidinecarboxylic acid
Hydroxytanshinone;Moracin C;Moracin N;1,7-bis(4-hydroxyphenyl)hept-1-ene-3,5-dione;(1E)-1,7-bis(4-hydroxyphenyl)hept-1-ene-3,5-dione;Artocarbene;(1E)-7-(3,4-dihydroxyphenyl)-1-phenylhept-1-ene-3,5-dione;4-hydroxy-3-(3-hydroxy-1-phenylbutyl)-2H-chromen-2-one;7-(3,4-dihydroxyphenyl)-1-phenylhept-1-ene-3,5-dione;5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[(1E)-3-methylbuta-1,3-dien-1-yl]benzene-1,3-diol;5-(6-hydroxy-1-benzofuran-2-yl)-4-(3-methylbut-2-en-1-yl)benzene-1,3-diol
3,5-Di-O-galloyl-1,4-galactarolactone;6-({1-carboxy-3,4,9,10-tetrahydroxy-6-oxo-6H-benzo[c]chromen-8-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;6-({1-carboxy-3,4,8,10-tetrahydroxy-6-oxo-6H-benzo[c]chromen-9-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;6-({1-carboxy-3,4,8,9-tetrahydroxy-6-oxo-6H-benzo[c]chromen-10-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;6-({1-carboxy-4,8,9,10-tetrahydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;6-({1-carboxy-3,8,9,10-tetrahydroxy-6-oxo-6H-benzo[c]chromen-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3,4,8,9,10-pentahydroxy-6-oxo-6H-benzo[c]chromene-1-carbonyloxy}oxane-2-carboxylic acid
N-(1-Deoxy-1-fructosyl)histidine
N-(1-Deoxy-1-fructosyl)leucine;N-(1-Deoxy-1-fructosyl)isoleucine
N-(1-Deoxy-1-fructosyl)valine
1-Isothiocyanato-7-(methylsulfinyl)heptane
1-Isothiocyanato-7-(methylsulfinyl)heptane.2
4-Hydroxy-1H-indole-3-acetonitrile;3-Acetyl-2,7-naphthyridine
(S)-3-Methylthiohexyl hexanoate
3-Mercaptohexyl butyrate;Hexyl 3-mercaptobutanoate;(S)-3-Mercaptohexyl butyrate
3-Isoxazolidinone;2-Aminoacrylic acid
3-Isoxazolidinone;2-Aminoacrylic acid.2
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid
2-Acetyl-3,5-dimethylpyrazine;2-Acetyl-3-ethylpyrazine;7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one;2-Acetyl-3,6-dimethylpyrazine;6-Methylnicotinamide
Dihydro-2-methoxy-2-methyl-3(2H)-thiophenone
Benzyl cinnamate;Cinnamyl benzoate;4'-Methoxychalcone;15(R)-hydroperoxy-EPE
Dihydro-4,6-dimethyl-2-(1-methylpropyl)-4H-1,3,5-dithiazine;Dihydro-2,4-dimethyl-6-(2-methylpropyl)-4H-1,3,5-dithiazine;N-Methylcalystegine C1;Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine;Dihydro-4,6-dimethyl-2-(2-methylpropyl)-4H-1,3,5-dithiazine
2-Acetyl-1-methylpyrrole;1-Ethyl-1H-pyrrole-2-carboxaldehyde;2-Propionylpyrrole;p-Anisidine;4-Hydroxybenzylamine
7-Epi-12-hydroxyjasmonic acid glucoside;beta-D-Glucopyranosyl-11-hydroxyjasmonic acid;2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside
Isosyringinoside
N,N'-dinitrosopiperazine
ETF
ETF.2
ETF.3
ETF.4
I(-)
2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate
3-Methyl sulfolene
Meta-Tyrosine;o-Tyrosine;Beta-Tyrosine;4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline;L-Threo-3-Phenylserine;4-Hydroxy-4-(3-pyridyl)-butanoic acid
Phenol sulphate
3-Sulfinato-L-alaninate;3-Sulfinoalanine
Phosphodimethylethanolamine
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acid
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acid.2
N-Acetylputrescinium
N-Acetylputrescinium.2
2-Amino-3-oxoadipate;D-N-(Carboxyacetyl)alanine;N-Formyl-L-glutamic acid
3-Chloro-2-methylmaleylacetate;2-Chloro-5-methylmaleylacetate
cis-Acetylacrylate;Norfuraneol
Olopatadine n-oxide
N-Desmethyl tapentadol
4-Carboxypyrazole
5-Carboxy-2'-deoxyuridine
N,O-Didesmethyltramadol;N,N-Didesmethyltramadol
p-hydroxymexiletine;2-hydroxymexiletine
p-hydroxymexiletine;2-hydroxymexiletine.2
3-Hydroxyisovalerylcarnitine;hydroxyisovaleroyl carnitine
3-hydroxyoctanoyl carnitine
3-hydroxydecanoyl carnitine
3-hydroxydecanoyl carnitine.2
3-hydroxydodecanoyl carnitine;2-Hydroxylauroylcarnitine
6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vinylacetylglycine;5-ethyl-5-methyl-2,4-oxazolidinedione
Methylphosphate
Succinylcarnitine;Methylmalonylcarnitine;O-methylmalonyl-L-carnitine;Epidermin;Lotaustralin;Camelinin
Succinylcarnitine;Methylmalonylcarnitine;O-methylmalonyl-L-carnitine;Epidermin;Camelinin;Lotaustralin
N-lactoyl-Leucine
N-lactoyl-Leucine.2
N-lactoyl-Leucine.3
N-lactoyl-Leucine.4
N-lactoyl-Leucine.5
N-lactoyl-Leucine.6
Malonyl-Carnitin;(S)-carnitinium
Malonyl-Carnitin;(S)-carnitinium.2
Malonyl-Carnitin;(S)-carnitinium.3
O-propanoyl-carnitine
N-phosphocreatinate(2-)
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;Glutamate, gamma-methyl ester;(±)-2,2'-Iminobispropanoic acid;hydroxybutyrylglycine
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;hydroxybutyrylglycine;(±)-2,2'-Iminobispropanoic acid;Glutamate, gamma-methyl ester
(R)-4'-phosphonatopantothenate(3-);D-4'-Phosphopantothenate
Furanone A;4-Hydroxy-2-butenoic acid gamma-lactone
Tetraethylene glycol
(2,6-dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0âµ,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-λâ¶-sulfanylium
[9,17,19,21-tetrahydroxy-5,13-bis(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-6-yl]oxidanesulfonic acid;(3-{3,5,7-trihydroxy-4-[6,9,17,19,21-pentahydroxy-5,13-bis(3-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-18-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid;[6,9,17,19-tetrahydroxy-5,13-bis(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-21-yl]oxidanesulfonic acid;{3-[6,9,17,19,21-pentahydroxy-5-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-13-yl]phenyl}oxidanesulfonic acid;[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-[6,9,17,19,21-pentahydroxy-5,13-bis(3-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-18-yl]-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid;{3-[6,9,17,19,21-pentahydroxy-13-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-5-yl]phenyl}oxidanesulfonic acid
{5-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,â¹.0³,â·.0¹³,¹â·]nonadeca-1(12),2(9),10,13(17)-tetraen-4-yl}oxidanesulfonic acid;{5-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,â¹.0³,â·.0¹³,¹â·]nonadeca-1(12),2(9),10,13(17)-tetraen-14-yl}oxidanesulfonic acid
5-hydroxy-7-methoxy-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one;3,4,5-trihydroxy-6-{4-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid;5-Hydroxyflavone
6-(1-carboxy-2-methoxy-2-oxoethyl)-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxy]oxane-2-carboxylic acid
(3-hydroxy-16,17-dimethoxy-9-oxo-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[12.3.1.1²,â¶]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-8-yl)oxidanesulfonic acid
{2-hydroxy-5-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid
{3-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid;{4-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid
{[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid
N-Acetyltaurine;Homocysteinesulfinic acid
Tromethamine
2-O-Methylascorbic acid;3-Dehydroquinate;2-Hydroxy-2-(2-oxopropyl)butanedioic acid
METABOLITES_END
#END