#METABOLOMICS WORKBENCH matejoresic_20230221_021101 DATATRACK_ID:3750 STUDY_ID:ST002496 ANALYSIS_ID:AN004206 VERSION 1 CREATED_ON 05-23-2023 #PROJECT PR:PROJECT_TITLE Study of environmental toxicants and gut microbiome in relation to obesity and PR:PROJECT_TITLE insulin resistance PR:PROJECT_SUMMARY Background & Aims: Environmental toxicants (ETs) associate with various adverse PR:PROJECT_SUMMARY health outcomes. Here, we hypothesized that exposures to ETs are associated with PR:PROJECT_SUMMARY obesity and insulin resistance via a dysbiotic gut microbiota and derived PR:PROJECT_SUMMARY alterations in microbiome-mediated bile acid (BA) synthesis. Methods: Serum BAs, PR:PROJECT_SUMMARY per- and polyfluoroalkyl substances (PFAS) and additional twenty-seven ETs were PR:PROJECT_SUMMARY measured by mass spectrometry in 264 Danes (121 women and 143 men, age 56.6 ± PR:PROJECT_SUMMARY 7.3 years, BMI 29.7 ± 6.0 kg/m2). Bacterial species were identified based on PR:PROJECT_SUMMARY whole-genome shotgun (WGS) sequencing of DNA extracted from purified stool PR:PROJECT_SUMMARY samples. Personalized genome-scale metabolic models (GEMs) of gut microbial PR:PROJECT_SUMMARY communities were developed to elucidate regulation of BA pathways. Subsequently, PR:PROJECT_SUMMARY we compared findings in the human study with metabolic implications of PR:PROJECT_SUMMARY perfluorooctanoic acid (PFOA) exposure in a PPAR-humanized murine model. PR:PROJECT_SUMMARY Results: Fasting serum concentrations of twelve ETs associated directly with PR:PROJECT_SUMMARY measures of obesity and insulin resistance. Several bacterial species including PR:PROJECT_SUMMARY Dorea longicatena, Dorea formicigenerans, Subdoligranulum spp., Veillonella PR:PROJECT_SUMMARY spp., and Roseburia intestinalis associated positively and in a sex-dimorphic PR:PROJECT_SUMMARY manner, particularly in women, with high exposure to ETs. Moreover, high serum PR:PROJECT_SUMMARY concentrations of ETs were linked with higher fasting serum levels of PR:PROJECT_SUMMARY microbiome-synthesized secondary BAs such as lithocholic acid (LCA) and PR:PROJECT_SUMMARY ursodeoxycholic acid (UDCA). These findings were substantiated by the outcome of PR:PROJECT_SUMMARY a murine exposure study. Conclusion: Serum concentrations of ETs, particularly PR:PROJECT_SUMMARY in women, were associated with an altered gut microbiome-mediated secondary BA PR:PROJECT_SUMMARY biosynthesis, linked with obesity and insulin resistance. PR:INSTITUTE Örebro University PR:DEPARTMENT Department of Medical Sciences PR:LABORATORY Systems Medicine PR:LAST_NAME Orešič PR:FIRST_NAME Matej PR:ADDRESS School of Medical Sciences, Örebro, Örebro, 70281, Sweden PR:EMAIL matej.oresic@oru.se PR:PHONE +46 19 302137 PR:FUNDING_SOURCE Academy of Finland (grant no. 333981 to M.O.), Novo Nordisk Foundation (grants PR:FUNDING_SOURCE no. NNF20OC0063971 and NNF21OC0070309 to T.H.), Swedish Research Council (grant PR:FUNDING_SOURCE no. and 2020-03674 to T.H and M.O), Formas (grant no. 2019-00869 to T.H and PR:FUNDING_SOURCE M.O). PR:DOI http://dx.doi.org/10.21228/M8G12B PR:CONTRIBUTORS Matej Orešič (M.O) and Tuulia Hyötyläinen (T.H) #STUDY ST:STUDY_TITLE Study of environmental toxicants and gut microbiome in relation to obesity and ST:STUDY_TITLE insulin resistance ST:STUDY_SUMMARY Background & Aims: Environmental toxicants (ETs) associate with various adverse ST:STUDY_SUMMARY health outcomes. Here, we hypothesized that exposures to ETs are associated with ST:STUDY_SUMMARY obesity and insulin resistance via a dysbiotic gut microbiota and derived ST:STUDY_SUMMARY alterations in microbiome-mediated bile acid (BA) synthesis. Methods: Serum BAs, ST:STUDY_SUMMARY per- and polyfluoroalkyl substances (PFAS) and additional twenty-seven ETs were ST:STUDY_SUMMARY measured by mass spectrometry in 264 Danes (121 women and 143 men, age 56.6 ± ST:STUDY_SUMMARY 7.3 years, BMI 29.7 ± 6.0 kg/m2). Bacterial species were identified based on ST:STUDY_SUMMARY whole-genome shotgun (WGS) sequencing of DNA extracted from purified stool ST:STUDY_SUMMARY samples. Personalized genome-scale metabolic models (GEMs) of gut microbial ST:STUDY_SUMMARY communities were developed to elucidate regulation of BA pathways. Subsequently, ST:STUDY_SUMMARY we compared findings in the human study with metabolic implications of ST:STUDY_SUMMARY perfluorooctanoic acid (PFOA) exposure in a PPAR-humanized murine model. ST:STUDY_SUMMARY Results: Fasting serum concentrations of twelve ETs associated directly with ST:STUDY_SUMMARY measures of obesity and insulin resistance. Several bacterial species including ST:STUDY_SUMMARY Dorea longicatena, Dorea formicigenerans, Subdoligranulum spp., Veillonella ST:STUDY_SUMMARY spp., and Roseburia intestinalis associated positively and in a sex-dimorphic ST:STUDY_SUMMARY manner, particularly in women, with high exposure to ETs. Moreover, high serum ST:STUDY_SUMMARY concentrations of ETs were linked with higher fasting serum levels of ST:STUDY_SUMMARY microbiome-synthesized secondary BAs such as lithocholic acid (LCA) and ST:STUDY_SUMMARY ursodeoxycholic acid (UDCA). These findings were substantiated by the outcome of ST:STUDY_SUMMARY a murine exposure study. Conclusion: Serum concentrations of ETs, particularly ST:STUDY_SUMMARY in women, were associated with an altered gut microbiome-mediated secondary BA ST:STUDY_SUMMARY biosynthesis, linked with obesity and insulin resistance. ST:INSTITUTE Örebro University ST:DEPARTMENT Department of Medical Sciences ST:LABORATORY Systems Medicine ST:LAST_NAME Orešič ST:FIRST_NAME Matej ST:ADDRESS School of Medical Sciences, Örebro, Örebro, 70281, Sweden ST:EMAIL matej.oresic@oru.se ST:PHONE +46 19 302137 ST:SUBMIT_DATE 2023-02-21 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Not applicable #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - sample_0001 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0001.mzdata SUBJECT_SAMPLE_FACTORS - sample_0002 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0002.mzdata SUBJECT_SAMPLE_FACTORS - sample_0003 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0003.mzdata SUBJECT_SAMPLE_FACTORS - sample_0004 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0004.mzdata SUBJECT_SAMPLE_FACTORS - sample_0005 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0005.mzdata SUBJECT_SAMPLE_FACTORS - 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sample_0206 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0206.mzdata SUBJECT_SAMPLE_FACTORS - sample_0207 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0207.mzdata SUBJECT_SAMPLE_FACTORS - sample_0208 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0208.mzdata SUBJECT_SAMPLE_FACTORS - sample_0209 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0209.mzdata SUBJECT_SAMPLE_FACTORS - sample_0210 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0210.mzdata SUBJECT_SAMPLE_FACTORS - sample_0211 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0211.mzdata SUBJECT_SAMPLE_FACTORS - sample_0212 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0212.mzdata SUBJECT_SAMPLE_FACTORS - sample_0213 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0213.mzdata SUBJECT_SAMPLE_FACTORS - sample_0214 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0214.mzdata SUBJECT_SAMPLE_FACTORS - sample_0215 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0215.mzdata SUBJECT_SAMPLE_FACTORS - sample_0216 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0216.mzdata SUBJECT_SAMPLE_FACTORS - sample_0217 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0217.mzdata SUBJECT_SAMPLE_FACTORS - sample_0218 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0218.mzdata SUBJECT_SAMPLE_FACTORS - sample_0219 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0219.mzdata SUBJECT_SAMPLE_FACTORS - sample_0220 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0220.mzdata SUBJECT_SAMPLE_FACTORS - sample_0221 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0221.mzdata SUBJECT_SAMPLE_FACTORS - sample_0222 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0222.mzdata SUBJECT_SAMPLE_FACTORS - sample_0223 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0223.mzdata SUBJECT_SAMPLE_FACTORS - sample_0224 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0224.mzdata SUBJECT_SAMPLE_FACTORS - sample_0225 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0225.mzdata SUBJECT_SAMPLE_FACTORS - sample_0226 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0226.mzdata SUBJECT_SAMPLE_FACTORS - sample_0227 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0227.mzdata SUBJECT_SAMPLE_FACTORS - sample_0228 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0228.mzdata SUBJECT_SAMPLE_FACTORS - sample_0229 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0229.mzdata SUBJECT_SAMPLE_FACTORS - sample_0230 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0230.mzdata SUBJECT_SAMPLE_FACTORS - sample_0231 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0231.mzdata SUBJECT_SAMPLE_FACTORS - sample_0232 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0232.mzdata SUBJECT_SAMPLE_FACTORS - sample_0233 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0233.mzdata SUBJECT_SAMPLE_FACTORS - sample_0234 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0234.mzdata SUBJECT_SAMPLE_FACTORS - sample_0235 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0235.mzdata SUBJECT_SAMPLE_FACTORS - sample_0236 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0236.mzdata SUBJECT_SAMPLE_FACTORS - sample_0237 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0237.mzdata SUBJECT_SAMPLE_FACTORS - sample_0238 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0238.mzdata SUBJECT_SAMPLE_FACTORS - sample_0239 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0239.mzdata SUBJECT_SAMPLE_FACTORS - sample_0240 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0240.mzdata SUBJECT_SAMPLE_FACTORS - sample_0241 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0241.mzdata SUBJECT_SAMPLE_FACTORS - sample_0243 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0243.mzdata SUBJECT_SAMPLE_FACTORS - sample_0244 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0244.mzdata SUBJECT_SAMPLE_FACTORS - sample_0245 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0245.mzdata SUBJECT_SAMPLE_FACTORS - sample_0246 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0246.mzdata SUBJECT_SAMPLE_FACTORS - sample_0247 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0247.mzdata SUBJECT_SAMPLE_FACTORS - sample_0248 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0248.mzdata SUBJECT_SAMPLE_FACTORS - sample_0249 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0249.mzdata SUBJECT_SAMPLE_FACTORS - sample_0250 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0250.mzdata SUBJECT_SAMPLE_FACTORS - sample_0251 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0251.mzdata SUBJECT_SAMPLE_FACTORS - sample_0252 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0252.mzdata SUBJECT_SAMPLE_FACTORS - sample_0253 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0253.mzdata SUBJECT_SAMPLE_FACTORS - sample_0256 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0256.mzdata SUBJECT_SAMPLE_FACTORS - sample_0257 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0257.mzdata SUBJECT_SAMPLE_FACTORS - sample_0258 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0258.mzdata SUBJECT_SAMPLE_FACTORS - sample_0259 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0259.mzdata SUBJECT_SAMPLE_FACTORS - sample_0260 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0260.mzdata SUBJECT_SAMPLE_FACTORS - sample_0261 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0261.mzdata SUBJECT_SAMPLE_FACTORS - sample_0262 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0262.mzdata SUBJECT_SAMPLE_FACTORS - sample_0263 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0263.mzdata SUBJECT_SAMPLE_FACTORS - sample_0264 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0264.mzdata SUBJECT_SAMPLE_FACTORS - sample_0265 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0265.mzdata SUBJECT_SAMPLE_FACTORS - sample_0266 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0266.mzdata SUBJECT_SAMPLE_FACTORS - sample_0267 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0267.mzdata SUBJECT_SAMPLE_FACTORS - sample_0268 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0268.mzdata SUBJECT_SAMPLE_FACTORS - sample_0271 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0271.mzdata SUBJECT_SAMPLE_FACTORS - sample_0272 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0272.mzdata SUBJECT_SAMPLE_FACTORS - sample_0274 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0274.mzdata SUBJECT_SAMPLE_FACTORS - sample_0275 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0275.mzdata SUBJECT_SAMPLE_FACTORS - sample_0276 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0276.mzdata SUBJECT_SAMPLE_FACTORS - sample_0277 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0277.mzdata SUBJECT_SAMPLE_FACTORS - sample_0278 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0278.mzdata SUBJECT_SAMPLE_FACTORS - sample_0279 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0279.mzdata SUBJECT_SAMPLE_FACTORS - sample_0281 Factor:none RAW_FILE_NAME=0066_PFASBA_20201203_sample_0281.mzdata #COLLECTION CO:COLLECTION_SUMMARY Fasting serum samples were collected for this study. None of the volunteers have CO:COLLECTION_SUMMARY undergone bariatric surgery or had taken antibiotics two months prior to their CO:COLLECTION_SUMMARY inclusion in the study. None of the participants were diagnosed with diabetes CO:COLLECTION_SUMMARY mellitus (Type 1 or 2). Thirty-four of study participants were taking statins at CO:COLLECTION_SUMMARY the time of study. The serum samples were stored at −80 °C until analyzed. CO:SAMPLE_TYPE Blood (serum) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Samples were stored at -80 as it is, and no treatment was done. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 40 µL of serum sample was mixed with 80 µL of acetonitrile including internal SP:SAMPLEPREP_SUMMARY standards (TCA-d4, GUDCA-d4, GCA-d4, CA-d4, UDCA-d4, GCDCA-d4, CDCA-d4, DCA-d4, SP:SAMPLEPREP_SUMMARY GLCA-d4 and LCA-d4; PFOA-13C8, PFNA-13C5, PFUndA-13C7, PFHxS-13C3 and PFOS-13C8, SP:SAMPLEPREP_SUMMARY succinic acid-d4, glutamine-d5, valine-d8, tryptophan-d5, 3-hydroxybutyric SP:SAMPLEPREP_SUMMARY acid-d4 and heptadecanoic acid-d5) and vortexed, ultrasonicated and centrifuged. SP:SAMPLEPREP_SUMMARY 90 µL of the supernatant was evaporated to dryness and resuspended 60 µL of SP:SAMPLEPREP_SUMMARY MeOH/H2O (70/30). SP:PROCESSING_STORAGE_CONDITIONS -80℃ SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) CH:COLUMN_TEMPERATURE 50 CH:FLOW_GRADIENT from min 0-1.5, the percentage of phase B was increased from 5% to 30%, from min CH:FLOW_GRADIENT 1.5-4.5, the percentage of B was increased to 70%, from min 4.5-7.5 the CH:FLOW_GRADIENT percentage of B was increased to 100% and held for 5.5 mins. A post-time of 5 CH:FLOW_GRADIENT min was used to regain the initial conditions for the next analysis. CH:FLOW_RATE 0.4 mL/min CH:SOLVENT_A 70% water/30% methanol; 2mM ammonium acetate CH:SOLVENT_B 100% methanol; 2mM ammonium acetate CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6545 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:MS_COMMENTS The analyses were done using UHPLC-QTOFMS instrument from Agilent Technologies MS:MS_COMMENTS (Santa Clara, CA, USA). The analysis was done on an ACQUITY UPLC® BEH C18 MS:MS_COMMENTS column (2.1 mm × 100 mm, particle size 1.7 µm) by Waters (Milford, MA, USA). MS:MS_COMMENTS Mobile phase A consisted of H2O:MeOH (v/v 70:30) and mobile phase B of MeOH with MS:MS_COMMENTS both phases containing 2mM ammonium acetate as an ionization agent. The LC pump MS:MS_COMMENTS was programmed at a flow rate of 0.4 mL/min with the elution gradient as MS:MS_COMMENTS follows: from min 0-1.5, the percentage of phase B was increased from 5% to 30%, MS:MS_COMMENTS from min 1.5-4.5, the percentage of B was increased to 70%, from min 4.5-7.5 the MS:MS_COMMENTS percentage of B was increased to 100% and held for 5.5 mins. A post-time of 5 MS:MS_COMMENTS min was used to regain the initial conditions for the next analysis. The total MS:MS_COMMENTS analysis time per sample was 18 min. The dual ESI ionization source was settings MS:MS_COMMENTS were as follows: capillary voltage was 4.5 kV, nozzle voltage 1500 V, N2 MS:MS_COMMENTS pressure in the nebulized was 21 psi and the N2 flow rate and temperature as MS:MS_COMMENTS sheath gas was 11 L/min and 379 °C, respectively. The m/z range 100-1700 in MS:MS_COMMENTS negative ion mode was used. MassHunter B.06.01 software (Agilent Technologies, MS:MS_COMMENTS Santa Clara, CA, USA) was used for all data acquisition. MS data processing was MS:MS_COMMENTS performed using open source software MZmine 2.5232. Quality control was MS:MS_COMMENTS performed throughout the dataset by including blanks, pure standard samples, and MS:MS_COMMENTS control plasma samples. The average RSD for the PFAS in QC samples was 10.6%, MS:MS_COMMENTS showing the robustness of the analytical procedure. The unknown compounds were MS:MS_COMMENTS identified based on exact mass and MS/MS data. MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ng/ml MS_METABOLITE_DATA_START Samples sample_0001 sample_0002 sample_0003 sample_0004 sample_0005 sample_0006 sample_0007 sample_0008 sample_0009 sample_0010 sample_0011 sample_0012 sample_0013 sample_0015 sample_0016 sample_0017 sample_0018 sample_0019 sample_0020 sample_0021 sample_0022 sample_0023 sample_0024 sample_0025 sample_0026 sample_0027 sample_0028 sample_0029 sample_0030 sample_0031 sample_0032 sample_0033 sample_0034 sample_0035 sample_0036 sample_0037 sample_0038 sample_0039 sample_0040 sample_0041 sample_0042 sample_0043 sample_0044 sample_0046 sample_0047 sample_0048 sample_0050 sample_0051 sample_0052 sample_0053 sample_0054 sample_0055 sample_0056 sample_0057 sample_0058 sample_0059 sample_0060 sample_0061 sample_0062 sample_0063 sample_0064 sample_0065 sample_0066 sample_0067 sample_0068 sample_0069 sample_0071 sample_0072 sample_0073 sample_0074 sample_0075 sample_0076 sample_0077 sample_0078 sample_0079 sample_0080 sample_0081 sample_0082 sample_0083 sample_0084 sample_0085 sample_0087 sample_0088 sample_0089 sample_0090 sample_0092 sample_0093 sample_0094 sample_0095 sample_0096 sample_0097 sample_0098 sample_0099 sample_0100 sample_0101 sample_0102 sample_0103 sample_0104 sample_0105 sample_0106 sample_0107 sample_0108 sample_0109 sample_0110 sample_0111 sample_0112 sample_0113 sample_0114 sample_0115 sample_0116 sample_0117 sample_0118 sample_0119 sample_0120 sample_0121 sample_0122 sample_0123 sample_0124 sample_0125 sample_0126 sample_0129 sample_0130 sample_0131 sample_0132 sample_0133 sample_0134 sample_0135 sample_0136 sample_0137 sample_0139 sample_0140 sample_0141 sample_0142 sample_0143 sample_0144 sample_0145 sample_0146 sample_0147 sample_0148 sample_0149 sample_0150 sample_0151 sample_0152 sample_0153 sample_0155 sample_0156 sample_0157 sample_0158 sample_0159 sample_0160 sample_0161 sample_0162 sample_0163 sample_0164 sample_0165 sample_0166 sample_0167 sample_0168 sample_0169 sample_0170 sample_0171 sample_0172 sample_0173 sample_0174 sample_0175 sample_0176 sample_0177 sample_0178 sample_0179 sample_0180 sample_0181 sample_0182 sample_0183 sample_0184 sample_0185 sample_0186 sample_0187 sample_0188 sample_0189 sample_0190 sample_0191 sample_0192 sample_0193 sample_0194 sample_0195 sample_0196 sample_0197 sample_0198 sample_0199 sample_0200 sample_0201 sample_0202 sample_0203 sample_0204 sample_0205 sample_0206 sample_0207 sample_0208 sample_0209 sample_0210 sample_0211 sample_0212 sample_0213 sample_0214 sample_0215 sample_0216 sample_0217 sample_0218 sample_0219 sample_0220 sample_0221 sample_0222 sample_0223 sample_0224 sample_0225 sample_0226 sample_0227 sample_0228 sample_0229 sample_0230 sample_0231 sample_0232 sample_0233 sample_0234 sample_0235 sample_0236 sample_0237 sample_0238 sample_0239 sample_0240 sample_0241 sample_0243 sample_0244 sample_0245 sample_0246 sample_0247 sample_0248 sample_0249 sample_0250 sample_0251 sample_0252 sample_0253 sample_0256 sample_0257 sample_0258 sample_0259 sample_0260 sample_0261 sample_0262 sample_0263 sample_0264 sample_0265 sample_0266 sample_0267 sample_0268 sample_0271 sample_0272 sample_0274 sample_0275 sample_0276 sample_0277 sample_0278 sample_0279 sample_0281 Factors Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none Factor:none 12-Ketolithocholic acid 0.5683 0.6243 1.8846 3.6076 2.1550 0.3882 3.7837 1.8961 0.6311 0.6459 1.4590 4.4650 2.8064 0.7293 1.3620 0.1542 0.7301 3.9941 1.9085 1.3433 4.7771 1.3814 2.7974 0.4872 0.6117 0.4324 9.8361 3.0209 3.2596 7.0190 0.3482 3.3026 0.7844 0.0412 1.5301 3.2984 0.7632 1.2272 0.9349 0.7350 19.2723 0.8627 0.5201 2.1282 6.1884 2.5450 1.9039 2.4510 0.1233 5.7854 4.4265 1.6377 1.3143 3.2336 4.3346 3.0606 1.9865 5.7567 2.7960 1.5803 2.2319 1.4984 2.1678 0.4997 2.8268 0.8765 0.6943 3.5417 1.1476 2.5469 5.2983 0.8884 1.2265 4.8371 0.0545 0.5554 4.2561 1.3470 3.4636 3.2877 2.8398 0.6211 1.4806 2.1074 1.0270 0.8607 2.4662 3.2418 2.0366 1.9351 2.0934 2.5097 0.1685 0.9620 2.3153 2.2400 3.0026 2.7203 0.6809 0.4587 0.3821 0.8908 3.4189 1.3503 6.5456 1.5898 1.1147 2.3224 4.0636 1.0459 15.2460 1.6702 3.9191 2.0683 1.1778 2.3849 2.1689 1.6503 1.8778 1.9904 2.9321 3.0601 0.7914 0.7111 2.3099 2.6782 0.9197 2.9911 1.6830 2.4345 1.6400 3.3243 1.5547 3.5266 19.8930 0.6605 0.7749 6.7149 0.7761 1.1392 1.4566 1.1734 2.3897 0.2984 6.3423 2.1303 1.5394 3.6635 0.9607 2.1491 0.0287 1.7574 3.2635 0.8630 1.5420 2.9794 1.2552 3.3589 1.1890 2.5988 2.2201 6.2340 1.2408 2.1785 0.4280 2.0047 4.6951 1.0144 2.8985 1.2062 1.9115 2.4211 0.4419 3.1002 0.8283 3.6974 3.5697 6.4843 3.2251 1.8364 0.7716 2.6061 1.9654 1.3745 0.3662 4.9624 0.1429 1.5125 4.8463 1.9083 0.8900 0.8891 0.1795 1.4589 1.2744 11.5449 2.9056 7.2086 2.1931 2.7308 1.7062 3.6806 0.1968 0.1697 4.9217 3.2081 1.7607 2.6587 2.6324 4.6031 0.1586 1.0680 5.5533 0.3876 0.9050 0.7466 5.7071 1.7560 0.1518 2.8486 0.7482 9.2546 2.1768 3.6267 3.2019 1.5278 0.1554 1.1080 2.2456 2.1452 6.4493 1.3104 5.2781 2.1903 0.1591 3.1325 2.8961 1.6129 5.6067 1.3122 1.9305 3.1095 1.0710 8.0456 2.8258 2.0623 0.1723 1.4374 1.8610 1.6475 1.3492 2.4033 2.7474 1.2243 1OH-n:2 FTSAs n=8 871.0054 782.8205 848.1171 849.4405 1373.2967 765.4837 866.3458 921.2121 946.2644 929.4648 1458.8069 855.4919 784.4459 805.6905 970.5452 1014.3880 1232.3709 1249.9988 1228.9416 1193.5466 923.9915 1046.5359 1097.3229 879.9799 1192.0509 931.3295 812.3277 751.7470 908.0306 765.1074 245.4843 1057.4063 875.8726 1118.6363 1209.4818 1287.5167 722.6116 1086.1395 1167.0427 1018.1590 978.1691 871.0152 1016.2661 694.8153 666.5366 530.9259 1093.8528 1138.2381 897.9764 1145.3572 1165.2569 1006.0136 1349.4293 943.7600 224.3729 1184.7637 1261.0751 1165.6591 1132.3431 910.1840 1206.9662 821.3452 899.1019 1006.2244 1244.5701 1347.9612 1685.7069 1073.6127 985.5927 1393.1575 1080.9661 1088.6773 1161.6829 1337.6989 1159.0975 941.7902 1355.8181 1157.5483 1075.1607 953.4306 1154.7991 1190.1000 813.0293 984.7258 1379.7552 904.3212 889.9348 796.2145 1321.3020 1046.4077 1134.7243 1240.0080 721.0323 1012.5657 891.9420 961.3905 924.7484 996.7814 1387.8085 750.2327 973.5017 1138.0978 981.4912 980.8177 1123.3811 904.7595 1095.1097 1194.0219 1051.2202 1068.0203 1120.2393 875.3538 1033.2396 1149.9792 1678.1989 685.9206 863.9230 944.3794 791.6150 1032.2251 979.6391 1000.6823 1266.9905 706.2257 1157.4418 950.2327 1035.9322 1013.8278 845.7884 670.3282 597.6705 499.8361 418.9241 704.1812 494.6484 408.6949 102.6488 355.5083 476.7853 363.3883 439.1364 395.6568 593.8915 845.4772 568.5263 537.3756 569.3393 894.6093 724.1822 1030.3828 738.8646 676.0221 473.7552 681.0050 668.3125 699.9210 496.0873 467.7256 529.8124 451.8045 411.2125 354.5473 600.2089 451.3180 398.9550 371.7082 451.5564 519.0675 411.3088 651.9652 1021.7552 520.7022 502.3258 526.9907 692.0524 870.3859 598.2646 771.3616 835.0341 755.4749 768.5735 571.8395 712.4086 739.4228 1396.6201 1156.4860 1093.8679 519.2689 1280.5007 1181.8277 830.9779 978.0370 1496.1180 1340.6958 731.1781 735.6047 1344.7537 532.4328 1282.5209 746.1636 1180.1789 851.2990 1082.4201 894.2244 824.0718 804.3049 582.9114 1558.2555 663.6474 537.3109 495.1425 957.4097 1096.8378 940.1812 714.8805 567.9757 948.3518 876.1912 1767.6895 754.7336 1132.6945 1104.4036 1144.7086 941.7494 807.7937 1079.1490 1134.5978 738.5617 773.8253 658.0658 660.7979 1344.8400 1165.8464 704.8784 1110.8057 1256.2981 825.6056 907.0842 798.4322 1235.0463 854.4294 657.4963 776.6399 652.2839 1037.1221 964.0764 391.1522 1258.4196 627.6467 505.1563 736.5843 876.1663 934.4439 909.5800 938.3558 747.1874 802.6445 809.3530 1001.6961 675.7332 1057.2954 1080.2777 1100.9511 1210.5127 6-Ketolithocholic acid_389.2694068_4.33 604.5961 161.9678 356.9378 272.4966 255.1160 334.9635 327.8886 240.9723 349.2209 210.9691 310.6487 116.9788 243.9140 912.4617 433.7315 3985.5374 65.1639 557.8901 140.8377 290.7977 169.5458 27.5807 382.9176 587.2957 443.1793 269.3294 422.6160 171.2736 200.8197 512.9980 212.5358 133.6849 568.6725 351.5527 402.6733 554.8834 371.8593 339.7069 561.8549 490.5429 691.4097 395.6486 314.9982 941.1878 478.0077 237.2369 150.3461 282.0881 185.6085 462.6984 351.5456 221.9206 274.8330 328.4726 468.5352 272.8946 243.1443 328.2161 283.9076 47.1155 296.3377 278.0185 639.8537 494.9506 2350.9196 236.7186 423.5012 484.8512 410.4105 370.2331 567.1700 629.1273 411.1571 228.8162 289.6233 393.6209 342.2367 353.4274 161.7368 721.2308 378.0094 233.2986 390.7431 312.9575 530.3436 254.2378 273.9169 241.4458 318.0350 755.7318 357.7309 73.8229 672.3158 248.4039 308.2821 82.7881 400.8422 44.2234 401.8976 376.0681 674.6029 914.4927 350.1659 746.2114 226.2945 460.8271 197.5700 447.4868 193.7926 604.5475 405.7040 159.6389 345.8729 671.4314 994.3487 321.4992 363.7965 589.2546 247.2802 548.8783 238.7494 313.5527 382.2749 397.4813 636.3639 442.9418 288.0484 379.2842 1340.3482 107.5992 179.3210 425.1429 238.6284 65.7020 160.5659 122.3045 67.5237 158.0723 457.5745 93.5009 394.0256 192.4290 203.9715 568.8658 138.0443 557.8280 177.8325 301.0518 307.5615 581.1174 642.3579 119.7866 718.5395 935.7592 111.3049 540.3430 294.2800 145.6789 215.9103 164.8684 72.8893 375.1659 228.4020 359.1464 107.3876 157.4947 240.7655 125.6871 261.1852 391.2747 239.4983 121.4325 262.7239 314.1179 320.0096 125.3087 184.0931 793.3870 119.2818 200.5817 102.6282 245.0635 430.4980 486.8901 2044.7239 170.6988 734.2279 203.0220 177.2079 209.6142 554.6844 57.6189 2105.5460 664.8810 239.7696 351.3955 136.3215 462.4880 37.6787 328.8518 454.9066 432.9646 3442.2550 504.3741 427.5952 207.2503 2076.0000 617.7015 1477.8939 846.9321 1123.3488 262.6546 175.3505 92.9265 218.3857 86.7013 362.8696 459.1101 203.2098 184.2238 482.7945 210.6088 264.0017 281.3604 485.3141 1269.3034 566.3177 537.5986 1673.8165 54.8357 202.2445 133.4696 2398.3250 551.4224 372.9144 530.8753 131.1857 44.9634 332.6551 576.9254 756.4200 269.7781 318.5425 56.1440 207.4922 116.2018 116.8236 53.8941 2042.6043 781.6246 61.6618 242.4790 775.6095 51.1729 1047.5064 72.6946 389.8944 497.4467 52.0905 6-Ketolithocholic acid_389.2695135_3.93 151.5864 209.5648 250.8359 895.9491 998.4505 313.3210 252.7908 189.0570 383.8353 583.9255 490.6103 149.0413 780.8378 833.4067 476.8743 295.5041 327.0219 1332.7562 251.8741 243.2406 198.5377 341.4249 661.0893 840.5377 1259.4964 132.3607 1287.8057 1125.5289 567.2234 446.2684 304.5629 489.5839 1167.6298 612.5765 636.9978 809.5445 969.2843 828.4605 286.3358 515.7027 2287.5420 323.9526 494.1097 698.4196 353.0915 583.7338 295.3071 768.7006 248.1129 845.8637 695.5213 528.4051 328.4459 765.3904 3250.4837 927.3820 287.2398 167.3612 574.5170 545.1091 228.9785 415.7171 619.4774 763.3956 512.8460 422.1079 332.9160 875.8551 751.8063 806.8063 779.8073 367.1344 1057.2679 481.9710 184.0706 1099.2490 475.4690 1165.7619 428.0025 336.8942 1196.3226 531.9242 528.3940 318.0881 633.6345 573.2331 471.1146 639.2610 300.3540 1142.4013 136.4536 681.5057 544.8496 379.4366 126.2545 936.6081 863.7015 308.9539 884.9473 553.0208 881.6938 891.3107 454.3388 325.9147 1143.6447 348.3050 553.1922 660.7127 383.1118 756.3328 722.7584 311.9023 735.5425 801.3526 1080.8750 1696.3920 736.4869 637.7482 897.2684 505.2059 789.5389 641.0160 625.1477 493.2655 171.4175 2552.8644 352.6310 413.0152 1109.1375 390.9412 643.7517 215.1509 536.2812 330.6485 230.7817 641.8722 108.9753 300.6692 377.7392 286.1342 420.7885 425.7009 243.3854 412.5949 336.6466 354.5086 738.8529 358.3634 448.2715 332.8231 1689.6696 323.2500 788.9674 1306.0454 232.7914 478.2468 271.1193 140.3325 448.9335 278.8202 183.0906 277.4821 392.0754 127.7033 445.0563 131.2402 226.0312 516.4151 210.2832 720.1211 172.1755 313.5486 757.1206 987.4804 750.1471 225.0098 487.1206 528.6782 369.3324 521.2316 665.5777 668.4103 365.3287 727.3294 830.8649 1118.6913 319.5951 360.1916 504.6999 389.0158 621.5984 349.6714 900.5597 636.5065 454.4848 680.7624 215.8984 434.3183 347.6997 290.9572 706.5496 505.7120 1723.2436 766.0032 1484.3473 744.2094 2856.0488 1063.7614 276.0854 524.0708 236.5665 915.4201 489.4812 441.0971 774.7246 2733.8174 335.7637 281.6232 1150.4453 437.7396 791.8977 45.9328 1980.3957 754.9198 401.0177 131.8243 203.3417 1434.5876 982.9326 648.8134 2085.2490 197.3830 30.7617 487.8734 614.6486 1552.7519 1510.6052 571.4359 780.1252 398.4850 56.3143 75.6098 1278.1374 689.6161 483.7011 775.6617 406.4219 1770.3689 29.7726 123.2407 75.1295 1106.7210 576.1385 307.1922 236.3663 172.0498 563.1516 635.9148 638.5760 778.3545 76.1313 498.1762 6-Ketolithocholic acid_389.2695314_3.97 244.6912 226.4500 469.0930 797.6708 863.4625 338.5662 744.1510 204.2899 305.9439 408.9022 530.1402 115.6353 749.7264 616.3625 243.1978 744.7922 353.3709 437.5761 690.2809 262.8392 214.5345 368.9345 652.7528 596.2590 1200.8878 143.0254 1157.7709 1062.7865 420.4682 687.4724 329.1024 295.5583 1096.5703 370.1217 1123.1444 667.0060 863.4180 819.8014 692.2107 471.2799 1161.0785 350.0544 191.3502 604.3770 1146.6961 440.1036 319.1009 771.7735 268.1041 558.3852 488.6975 471.5107 354.9098 835.5355 728.2753 807.4005 310.3835 180.8460 409.7927 524.4375 828.8187 427.9920 470.7679 625.5949 374.1631 361.8601 271.5624 755.6691 570.2059 613.6253 690.0110 295.8580 903.1312 674.0015 703.0631 877.0696 513.7789 930.5487 367.0069 364.0387 1185.8932 384.2081 433.2370 343.7173 844.3762 528.7320 342.2901 395.6786 324.5543 784.4692 396.5201 582.6591 492.0186 935.1764 699.7325 815.6888 849.7138 333.8472 827.9926 469.0700 866.4935 928.3869 1413.4664 312.2098 1115.5755 376.3690 597.7644 608.9204 340.5899 742.5204 524.1388 337.0332 539.9616 1273.9518 1039.1829 1627.5650 377.1704 579.6409 803.5784 545.9118 629.8335 350.1371 445.8280 187.2047 722.4461 1479.4849 381.0434 274.7007 992.8206 278.7268 523.8145 379.1013 316.8239 205.0133 124.9295 646.2097 316.0743 169.4206 253.5772 131.2589 285.8477 318.1709 125.3697 974.9696 292.8845 230.9577 514.9138 320.1409 191.0664 198.3469 434.4731 175.7131 385.2465 1262.3962 251.5480 353.3063 142.2053 253.5850 378.3413 228.5520 197.8427 459.8442 296.2060 331.1332 299.4576 214.1832 184.1631 482.6385 841.4971 488.5418 370.5420 210.1595 581.8378 812.1759 584.8006 243.1394 263.6818 1816.1001 244.0197 459.9940 561.5224 490.1015 462.2903 532.1417 560.5520 790.5271 319.5951 360.1916 232.9193 389.0158 621.5984 349.6714 303.1886 636.5065 454.4848 680.7624 215.8984 434.3183 347.6997 67.5542 546.6322 505.7120 1391.9338 766.0032 1096.2084 744.2094 1777.9959 970.3295 276.0854 524.0708 236.5665 915.4201 489.4812 441.0971 530.5419 274.8000 335.7637 281.6232 834.0556 208.1549 931.5840 18.9601 1564.5053 507.8853 401.0177 131.8243 203.3417 1219.7516 767.0210 648.8134 1673.8165 197.3830 85.8717 487.8734 614.6486 1552.7519 1408.4991 571.4359 780.1252 398.4850 56.3143 75.6098 501.6272 240.3875 483.7011 775.6617 406.4219 438.9875 29.7726 123.2407 75.1295 1106.7210 576.1385 307.1922 236.3663 172.0498 563.1516 509.3240 638.5760 496.1879 76.1313 498.1762 7-Ketolithocholic acid 450.4918 120.6841 359.3324 226.3068 435.3383 249.5853 338.6607 297.7561 915.8001 157.1956 231.4680 47.7253 618.2329 705.3837 323.1785 443.4857 48.5544 1278.9977 423.9133 216.6769 85.2756 20.5507 402.5053 599.0755 531.6655 200.6806 177.2503 420.6567 424.0203 818.0723 270.5707 403.5091 584.1970 574.3856 721.2479 540.7331 368.7145 422.8450 271.8040 365.5093 2572.4590 294.8025 234.7089 614.8326 106.1528 555.2618 426.0934 549.9317 224.9130 899.2994 436.7093 732.4546 296.1899 643.4768 1132.0026 91.1829 181.1697 244.5577 318.5149 35.1064 386.9218 321.1466 309.9003 1045.7869 1908.1152 176.3819 377.6451 361.2684 305.8018 275.8651 582.3075 367.8920 476.5618 244.8930 326.9850 293.2916 322.4609 592.6331 271.2120 469.9972 442.8100 175.8873 346.5253 233.1884 490.9073 321.9177 204.0987 743.7194 236.9717 400.6325 508.3052 610.6196 500.9505 315.8820 276.5542 388.2086 516.4958 32.9513 355.6334 632.3496 618.3948 895.8483 614.9412 491.5096 359.8269 377.8513 325.8290 395.8765 969.7973 1084.0068 703.6980 118.9489 429.1554 1779.3668 842.1970 7660.7444 388.8404 566.6340 750.3297 667.5485 843.0052 233.6319 216.4739 479.3511 279.7224 1342.6165 312.6901 528.6244 1084.4759 112.6021 410.5996 382.0901 177.8049 151.7637 225.6382 396.8399 50.3127 386.2543 259.6476 151.7729 190.9074 143.3811 151.9816 526.7023 202.0826 481.1468 230.5336 224.3173 229.1677 483.1386 1334.8776 199.2666 387.7604 583.5585 94.4073 458.9765 124.3343 108.5471 324.9124 212.3536 129.3800 308.2837 170.1850 1595.0515 191.0903 117.3512 179.3972 639.7875 915.6823 732.2924 302.7768 280.7022 444.4450 234.0530 238.4429 93.3690 303.2959 686.3894 162.0188 149.4558 586.3503 307.5873 410.6943 486.8901 2044.7239 169.6128 734.2279 203.0220 820.7670 209.6142 206.5579 57.6189 2105.5460 559.9995 239.7696 351.3955 136.3215 462.4880 139.1528 510.0513 341.5369 432.9646 3442.2550 504.3741 800.1700 207.2503 2991.3310 1089.8172 1287.6768 487.7117 902.4555 262.6546 175.3505 218.6185 218.3857 226.5444 362.8696 459.1101 1628.1881 184.2238 926.4728 210.6088 1924.1492 281.3604 450.0254 1269.3034 566.3177 537.5986 1273.0255 54.8357 202.2445 133.4696 93.0697 1621.9745 1594.8139 372.9144 272.7240 191.5597 44.9634 332.6551 576.9254 567.3671 269.7781 1062.8350 56.1440 207.4922 116.2018 116.8236 53.8941 2042.6043 628.3964 61.6618 242.4790 775.6095 379.4264 902.6724 72.8447 389.8944 497.4467 122.7581 7-oxo-DCA 1.8336 1.4345 0.3006 0.5042 0.0853 0.7377 0.6025 0.1350 1.1086 1.0335 4.1655 0.9311 0.1624 0.0778 0.2291 1.1856 0.6233 0.6418 0.0506 0.1712 2.2701 1.8498 1.1537 0.1332 0.7535 0.1353 2.4130 0.1050 4.8282 0.2997 0.7425 0.9004 17.1056 3.7944 0.8585 0.8228 0.7005 0.6249 0.5446 0.9944 0.8785 0.0698 2.8631 0.9078 0.1727 0.3584 4.6088 0.1657 0.7723 0.4035 6.9460 0.0759 1.3194 0.1448 0.8553 0.6752 0.9158 9.5008 0.5222 2.1461 1.3580 0.9570 0.1676 0.5313 0.9545 1.4662 0.2291 0.5771 1.8256 2.0286 0.3812 0.3577 0.8541 8.8970 0.0568 0.4551 0.0820 0.1525 0.4473 0.1439 0.0417 0.0748 8.9414 0.0254 0.0331 2.2125 0.2947 0.9338 0.3071 0.0834 0.2146 0.5049 6.4283 0.0210 0.3437 0.3130 0.2039 0.0288 2.3357 0.0243 0.2941 0.0840 0.2697 4.5039 0.0452 5.7243 0.1053 0.1782 0.0605 0.0516 7.1137 0.3028 0.8214 0.3987 0.4121 0.0724 1.0032 1.2895 0.4405 0.3934 0.1094 0.7889 0.4192 0.2457 2.2719 0.5590 0.1701 0.6665 1.2987 0.0915 1.2415 0.7941 1.3667 0.2441 0.7681 0.0990 0.4629 0.9357 0.5318 0.1934 1.4881 0.1395 0.1328 0.0622 0.5248 0.3816 0.0639 0.3272 8.0686 BPA sulfate ? 660.2122 615.6516 776.8192 502.4106 1216.8318 813.2598 651.9236 555.7615 455.3054 648.9415 926.9006 364.5637 250.0181 428.8617 796.6224 379.8342 855.4543 467.8375 745.3068 738.6174 487.0280 632.3639 274.5470 711.0018 367.4670 246.7971 315.3413 883.1738 828.3182 631.1849 1217.9012 854.1612 643.4428 903.3154 755.5170 871.4360 669.1098 1017.5963 805.6261 418.9092 930.2303 820.2803 399.9378 687.3355 570.5008 366.1360 716.7016 817.9838 752.1331 1150.9951 1076.1162 816.1350 1117.9552 613.1497 1511.1137 925.9472 1115.0883 786.8069 931.1411 1195.4217 855.9178 1005.2951 282.1108 861.3745 1094.1938 1232.4524 1013.7503 1075.2255 871.6068 587.6482 1352.1084 1045.2786 745.9257 979.4273 1040.2218 862.1212 1582.1995 902.4876 1366.2515 758.4806 793.5277 996.8539 723.4520 900.7134 1212.5828 1111.8681 917.1990 875.8834 965.4892 839.0453 1304.6124 1084.8945 867.0878 823.6520 832.8358 458.5123 445.1158 1147.7847 1110.6544 933.6191 810.4530 997.3228 984.9026 566.4963 1136.5972 962.1218 988.9888 456.4900 1134.7774 786.4446 959.4831 694.7369 1018.2264 732.2800 1491.3765 801.1889 1105.9215 676.8209 1198.0347 603.2466 1172.5254 1135.6848 1473.1432 845.4601 586.1876 470.2972 794.3484 1285.5992 940.0725 792.1491 614.8456 220.2346 488.8446 367.4924 363.7603 416.8030 487.9699 182.2983 258.2199 283.0726 351.2924 345.5396 503.4813 625.7926 562.4754 614.2929 839.9625 1000.7822 799.8092 823.0549 322.4970 412.9889 451.2380 464.6004 644.5940 467.8620 396.8042 462.1247 368.3336 400.6413 420.2374 154.2776 277.6849 579.5174 432.0848 445.8457 423.2444 227.9375 350.0439 308.4401 571.4483 189.8334 473.1477 495.9605 713.2734 778.6296 502.8498 305.6211 887.0352 593.1520 662.0275 599.5418 485.8964 469.8189 453.3520 543.4971 730.4029 513.9597 705.9677 748.2784 790.6386 574.0236 502.0504 1181.5427 683.1295 647.2689 714.9664 406.2341 993.1145 685.7619 726.2151 569.4628 899.9229 523.7216 532.0724 1075.6053 817.1595 1317.6680 734.7817 755.3361 1153.1780 701.2429 707.9752 1004.7919 608.3314 845.6992 475.9616 538.7186 1097.5570 422.6185 1232.7134 775.6238 539.2541 427.0327 748.4403 698.1814 793.1416 514.3819 859.0698 756.4388 570.1020 870.0159 941.2429 322.7891 970.2503 1385.0036 799.8498 844.7835 1066.8635 799.2066 1059.9949 505.0094 847.6024 900.7262 695.4036 973.6573 572.5266 936.0474 667.7224 590.1335 828.4942 533.8183 458.7948 770.0158 542.2849 553.5039 1082.8905 811.5892 539.8139 448.4272 1101.2373 504.4967 826.7306 811.6319 Br-PFOS 20.0340 7.0099 11.2395 7.8491 39.5701 23.8931 24.9199 24.4995 31.7769 12.1990 10.5248 5.8919 7.7272 13.0803 8.5796 18.0016 14.1206 11.0202 14.5392 17.1794 20.2190 26.0279 2.8214 13.0959 19.1954 14.5096 18.8184 20.6643 10.9460 15.6805 32.2364 23.7302 25.0961 32.3350 5.7010 6.8208 26.4630 5.3759 4.6366 24.3017 12.3951 16.7658 17.5450 24.4892 9.1492 13.2124 40.6382 13.4640 6.7020 15.2789 10.4325 10.7988 6.5434 15.5746 15.1361 40.0827 16.0370 7.7979 11.4814 18.3119 4.9898 19.8655 5.6969 14.6776 7.6216 3.1626 12.4158 26.1126 21.9060 30.5062 14.5091 26.6592 34.9818 6.1709 10.5250 11.2923 20.3444 12.0185 15.8575 42.7513 22.1443 36.4675 13.4943 9.5749 19.6215 27.3643 27.5574 12.3427 21.1721 28.3558 10.0790 14.5952 19.6856 10.0373 17.9819 13.5210 11.0880 32.5675 11.1196 32.8302 9.6608 33.4698 38.7371 20.9343 4.2858 23.3082 12.0272 21.1760 22.6674 24.8566 26.9502 15.7412 26.5244 28.9809 15.8633 47.2370 9.3324 13.5068 24.4345 12.5663 14.9106 34.1022 10.9043 32.0889 25.3071 45.7660 10.7637 14.7991 44.0591 5.8551 17.5671 16.5240 7.0007 23.0402 12.7911 8.8567 62.1718 15.7602 12.5761 37.7384 4.5537 17.6943 22.9820 41.3346 11.2233 8.0249 13.3345 16.0034 7.8362 5.2179 9.6017 15.0730 20.2901 40.8574 26.0247 17.5228 10.8150 21.5370 16.3017 17.4146 11.0967 61.1883 6.9231 9.5243 11.4452 3.7112 11.6249 8.1599 19.2000 30.1688 19.7907 18.0836 43.0229 26.5719 14.6575 4.1114 3.9470 8.8550 24.0731 24.7113 15.1320 8.0133 24.2167 17.1366 13.6875 44.9758 23.4762 4.7700 12.8206 13.6680 26.2147 11.4596 7.3479 42.8783 20.8676 18.1337 19.6177 11.6994 9.9112 18.5967 5.2382 11.1919 21.4233 9.0832 34.2147 27.0196 9.3364 23.6004 27.9107 20.4685 9.4417 11.3193 18.3280 12.1904 29.8890 9.8143 10.0927 5.2889 21.8754 14.4460 7.6337 8.8732 24.1479 19.5090 25.8417 7.8891 20.1099 29.5536 19.4355 13.3348 51.9903 10.3507 16.0346 16.0615 29.8787 11.4426 15.2868 11.7534 17.6912 7.1758 16.0878 18.9527 10.7683 21.8365 21.0530 25.5079 39.5273 4.3748 4.2398 11.6327 9.5606 15.1914 1.9732 17.0219 19.0514 12.2846 13.5629 12.0616 34.9993 21.0198 16.0396 17.7055 13.9050 7.6350 CA 751.7023 161.6363 34.9144 76.9695 28.1368 20.0412 16.9058 37.7707 16.6138 11.5744 24.4908 22.0925 20.9297 21.1542 54.8668 24.1029 215.3806 63.6786 8.8150 266.7600 26.1575 10.7466 40.5581 19.0239 23.0917 50.0468 222.3624 147.7403 306.5625 10.8144 48.6501 28.9388 47.4408 112.8986 843.8958 14.2324 9.5876 13.6730 75.4914 23.5463 17.1034 17.8991 30.8002 10.2249 550.0746 63.3884 46.7030 222.0490 85.1433 180.5019 18.1070 11.7022 16.8423 68.2783 685.0311 13.2798 46.3830 37.2719 293.7419 10.5453 28.8500 131.1789 10.6637 18.4259 9.4126 18.4642 8.9105 104.3300 12.0672 171.2247 16.0249 61.6013 941.7774 78.4853 35.8429 30.7430 18.8043 19.2410 25.6321 143.5217 529.8227 22.7299 42.6892 12.7081 238.6271 17.9592 224.8822 10.8542 129.9401 63.1234 639.2862 13.8914 50.3136 13.4216 12.4783 10.7699 121.2124 48.6409 99.4687 844.8442 191.4966 70.4027 9.9922 24.3024 17.1732 72.4915 184.8398 15.3265 18.5912 45.9492 150.3970 182.3805 36.5217 80.2252 13.8184 51.6633 16.4378 51.3171 37.0719 17.7118 17.1815 123.9304 43.9652 25.3090 24.4977 368.5679 10.5514 35.4937 35.7321 62.2837 23.6191 51.1039 124.7512 40.5951 37.4288 43.9028 2233.2829 14.6897 10.8803 304.0695 46.8603 1608.0206 37.9281 40.0194 123.1090 156.8361 66.7690 15.4455 11.2537 15.0044 36.6150 267.4521 10.3152 80.2605 399.4959 80.6779 14.0955 415.9549 12.9947 124.5049 24.9848 41.0078 364.6331 49.1410 538.2831 47.9884 38.5949 34.9105 22.7407 857.4556 11.4343 133.1868 71.0262 10.0912 18.1911 78.7940 8.8973 30.4852 42.6567 33.7405 73.5638 17.5256 45.1910 23.3394 28.8887 38.1379 55.3846 337.3782 23.8217 148.8861 28.9193 559.9686 114.5968 54.3306 880.5305 152.9316 98.7195 24.2569 39.9139 76.0026 258.2067 404.4677 23.7659 31.6970 35.4618 29.3832 36.7283 37.3725 411.9908 428.3464 677.5583 19.2834 520.5926 22.8010 68.9575 40.9255 35.5478 18.4227 34.6745 409.8205 37.4035 13.3969 245.2250 159.1321 21.8966 55.3012 32.0109 46.9524 72.2157 164.9267 146.6962 35.1443 12.2655 24.9799 237.0014 21.9529 26.8541 2110.9048 131.1235 22.7871 20.4448 24.8452 12.1607 567.8402 32.5971 179.1596 112.5846 32.7732 11.1287 42.2824 18.3378 134.9058 18.5113 43.8407 266.2809 10.8358 309.7611 372.9286 23.1172 1192.0575 27.2634 27.7794 35.2329 19.3035 DCA 156.1697 93.4508 179.6193 299.7433 109.7624 27.0358 411.9647 13.1656 83.6852 29.5595 27.1274 120.5693 102.1947 219.9494 38.2428 136.9088 46.3957 99.2255 177.1501 168.5939 100.2492 207.2480 95.8886 184.0057 35.4972 37.7624 45.4739 493.1110 427.5543 264.7272 292.7635 19.0370 155.3947 96.1138 167.4440 76.9855 111.9977 41.5497 110.6524 75.8065 134.5770 610.7436 50.0278 70.7260 267.3116 520.1248 197.5452 248.5760 232.5545 37.7309 257.0938 199.8288 90.5175 134.4003 664.6443 213.8385 218.0861 120.9853 33.7618 180.8706 120.8984 193.7769 139.7427 148.0895 77.9336 9.9958 57.2839 320.0978 39.0134 90.6196 125.5378 15.1283 341.6606 143.9369 372.1821 53.4621 135.5113 16.6385 371.2270 40.8856 166.1000 130.8049 77.6970 180.8022 438.0084 282.2461 76.7005 200.1672 134.5914 17.7329 320.1103 90.1649 79.2218 95.2842 120.7737 145.9689 114.5296 246.4717 35.4458 254.0487 387.2053 203.6617 143.0899 312.9051 66.7574 49.3948 127.2223 67.4978 129.3550 99.9976 289.7485 402.7901 95.4467 105.2929 219.5054 70.7756 476.4376 107.0044 237.6878 111.1004 74.0359 238.2494 183.8528 111.4647 128.5085 510.4935 70.7405 253.9745 14.3988 127.5919 41.0835 156.3622 245.5770 102.1017 179.5813 61.9447 585.2660 79.5343 110.1648 274.0738 196.1383 1117.3379 42.4922 127.4752 469.6716 54.2511 170.0835 95.1989 162.8865 115.0095 63.9886 475.8588 165.9321 100.7594 547.9640 83.1456 144.3918 55.9359 115.9182 309.6259 54.8070 73.3847 400.2412 55.6459 695.2005 114.1229 167.4592 199.4824 290.6551 263.5505 110.8527 62.6632 142.2849 148.3904 108.8608 150.8958 55.5664 133.3973 140.0252 19.8019 37.4262 115.5216 67.0332 252.8527 154.1511 383.7927 382.9138 124.8785 59.4371 211.9270 162.8819 102.6604 29.5839 198.0426 87.2437 111.6975 263.5579 110.8692 85.8360 64.5460 25.4382 219.5143 52.3920 280.5956 219.8756 382.5252 178.8836 119.8315 249.7680 251.8893 103.0234 24.0636 381.6780 138.3339 78.1922 156.7782 304.1943 177.4961 24.7826 210.6345 297.7275 47.9504 81.1605 56.7637 174.4609 104.4686 22.7594 130.0720 56.4403 301.6425 181.4261 179.1360 113.9212 53.1206 47.5885 64.0112 46.0505 436.9182 444.8539 44.9047 204.1183 85.2910 17.7373 110.8704 198.3842 226.3509 75.8089 240.0638 63.4921 207.0402 149.9067 88.1465 11.0505 255.1845 172.4390 72.1495 85.1931 212.5620 41.6845 522.5595 80.3632 85.2990 137.2112 70.0901 dPAs n=0 7290.0512 2900.3846 7895.2615 3685.3602 6965.1575 2736.1458 4873.7146 12311.0760 5603.7339 8281.4986 6609.3382 5891.2374 5912.5803 5446.4077 3485.6076 459.0618 6155.4433 5277.0360 10042.1037 12412.2079 8606.8590 6941.0090 7122.4787 14295.2953 7149.9887 4224.0006 4475.3433 10287.6536 7364.8067 598.4077 11093.2139 7003.8091 5916.7383 28744.8254 12187.4786 10911.1358 5733.5160 7848.0777 7281.0688 5957.0941 8807.9063 5665.6335 11852.1320 5155.8128 8327.3534 6589.4474 14422.4983 7315.3573 766.5431 8185.7723 10765.3953 6579.1735 4309.9432 6008.2424 11368.5109 11317.2207 15385.3198 6433.2303 8822.1050 8322.4555 9676.9276 10272.0196 6808.2632 12670.9850 10765.9055 13636.6042 7087.3473 6385.2518 6940.8523 10962.9043 12903.0570 14276.7414 9694.5942 18010.3780 14917.4292 25763.4096 1170.4731 6624.0790 19550.7114 8401.3324 13690.4435 9145.7852 5313.9812 8422.0406 9975.5162 7954.2701 3606.2789 11588.8761 10540.3690 8162.2214 17284.0333 8716.7087 7408.8136 6469.4492 8239.7109 7809.2113 665.9305 11107.4836 9129.2042 19342.8471 6477.3331 960.0210 5405.4490 9079.9485 9194.0798 6580.9694 9292.1959 12258.8443 5555.4479 6208.4147 15218.7755 13080.9191 1053.5448 723.6906 8739.9040 4797.3883 5671.8687 11052.5932 5785.3174 6830.3913 10713.6604 7984.1792 5543.5415 5103.9971 8517.5409 6073.6573 9952.1675 14557.1365 4361.5513 5420.1816 5759.5684 3349.6368 4844.2083 3585.4785 8418.8630 4857.7948 11550.3795 634.1276 8208.6561 2793.6772 2363.7694 5977.8671 4228.3295 7025.4647 8962.3405 3908.6428 7041.0814 9922.5111 10156.2809 13120.0011 7846.7834 5129.6283 4374.0863 9441.0318 7446.5778 3907.4988 5268.2823 4351.3349 6993.6244 514.3102 4533.1367 2425.1136 3789.7649 3685.8145 3024.1335 3860.6969 4867.4091 411.5522 2775.2903 5442.5655 7743.9597 2997.8623 6320.5680 5545.9850 8868.4518 4561.4923 5134.2934 7346.7624 3419.5408 3466.6611 6598.9793 2520.1376 5490.3460 11782.4208 6764.2266 14541.1615 8063.3782 12000.9413 18539.0840 4987.0142 7307.4740 2883.6801 6183.4850 6713.5643 4707.4688 7578.6372 6712.4569 5459.5345 6824.5349 9814.6501 4760.2060 8288.8291 8688.8532 5263.5679 9480.4380 12889.5479 8243.9757 9768.3637 4197.9372 8945.5951 4110.2144 5526.8956 4754.0842 14432.6923 8850.9647 8352.2636 6438.0046 3941.7677 12596.9248 5807.0888 12360.0408 6032.2958 8356.3198 4017.2861 6840.0249 6660.0573 5384.4296 4292.6966 9813.5630 7175.2521 9292.2696 13886.0077 14642.3308 6250.6286 8465.4195 8643.4244 17973.4136 5599.4534 9670.6000 5108.6894 5215.3857 5586.1223 3290.3547 7077.2646 9049.2283 8362.2482 4049.3635 5255.5954 8558.4759 5877.4522 4825.7798 8521.2318 4386.0274 6913.7451 7071.6998 7333.0611 9593.5929 6940.3141 7858.3562 6716.1934 5764.2278 5700.9660 7003.5367 11263.1602 dPFAmCACEs n=4 89.1231 157.7438 130.4520 135.3085 127.8063 184.0084 202.4288 190.9276 187.6723 165.1779 181.4300 114.5507 112.9069 159.3386 143.3899 163.1430 261.1337 146.1506 176.1207 205.1402 251.6143 179.4449 178.4482 156.3707 196.5056 230.7555 112.2583 174.3031 191.8680 104.0134 7.7766 177.8706 164.0686 298.8555 181.8461 255.4058 175.1217 181.2635 230.7972 216.2317 198.5041 181.4460 193.3991 140.7168 183.4252 108.3076 194.5802 160.9907 176.6059 383.1781 181.1282 242.5702 257.9839 136.3813 9.8475 182.7015 204.9210 214.7905 188.8680 178.0670 142.3755 175.9115 214.4210 171.0700 195.3250 211.7653 199.0663 152.0057 193.8042 258.4612 210.7957 268.5800 182.7390 187.1339 216.5018 148.5613 244.2000 288.4270 228.2080 196.8772 258.8386 151.4458 201.6659 154.1083 189.0340 157.3214 142.3692 221.4628 199.2770 140.1971 221.5758 210.8991 143.5916 137.5877 219.6803 172.3743 178.3561 184.7691 245.9546 142.8959 146.0738 150.2010 224.0803 186.2010 266.3568 223.5318 198.6537 138.7277 176.0132 173.6213 211.1800 99.8763 144.8834 365.8949 322.0336 194.8933 199.4052 225.6085 182.9284 241.5218 206.4908 150.4382 266.0268 151.0295 231.5931 191.2057 215.4427 224.1236 193.4286 184.6035 112.1405 104.1894 90.9560 74.0571 124.3867 102.6168 6.3284 88.6183 90.2101 99.6927 99.3030 86.8248 93.7888 133.3504 103.3246 129.2138 92.4262 137.1284 121.9842 178.5362 144.1714 180.2024 77.5482 159.9505 131.0489 92.4694 79.2981 100.7176 122.0271 105.8930 80.9084 94.4921 152.3681 101.3980 71.3647 66.8824 87.9029 87.6086 110.5253 136.1483 196.0277 127.7662 76.0436 89.9270 119.3117 153.8551 149.3253 191.7066 197.7933 117.8656 164.0171 109.7550 158.9469 205.3177 40.8478 309.6345 224.4217 55.8688 142.5388 250.6459 169.7086 28.4383 395.8434 81.3644 190.7489 197.7374 121.4179 240.2808 157.6614 36.8275 28.9814 354.3971 135.5891 285.8001 175.2107 81.5870 276.8526 109.5184 301.0304 154.1265 229.1949 264.6825 94.9478 157.2452 96.8219 138.8068 198.3132 303.7499 162.5890 175.0327 227.3216 189.9557 62.0428 216.0656 136.1857 76.8911 234.4432 161.5011 196.5575 268.3359 167.8014 258.8053 129.6298 236.5315 329.1056 60.3473 166.9426 283.0664 174.6202 236.9121 195.2819 135.2414 168.0891 223.7295 246.4741 308.9727 112.7687 238.2563 268.0491 106.5168 67.5153 34.7739 122.3319 209.2921 186.5949 93.7662 297.4346 130.8907 138.0564 105.1299 255.3205 165.8996 dPFAm n=10 740.1970 735.3055 874.4452 604.0436 1335.2631 768.1033 674.3303 676.2583 1071.4694 830.0638 901.9892 585.1070 650.3567 824.3233 792.2078 795.4355 667.9176 564.1468 976.2811 895.8457 473.8237 947.3680 598.5380 781.0347 1042.7350 745.9318 703.7513 404.7606 843.2526 660.8141 882.9714 892.1539 711.7199 967.5037 959.7193 956.9927 347.4085 989.5618 564.5451 776.9141 986.9667 683.8691 863.6015 704.4092 702.3723 543.7780 1055.3217 927.4531 865.9260 713.6610 883.9106 660.5871 1061.0269 812.4463 839.8660 631.7789 1210.0291 945.2535 950.4871 831.3622 1031.4382 606.0785 410.3240 822.1493 922.5764 636.4679 738.2766 916.1169 868.9933 1177.0187 927.8278 529.5295 965.7432 830.0775 1026.0813 313.6539 1059.0820 800.4911 590.5757 725.0249 738.8544 249.2007 528.4172 518.8536 805.1537 783.7855 831.0213 259.7554 962.2364 570.9425 844.1762 691.0821 693.4971 786.4000 693.2275 595.6797 584.6206 798.3605 953.8266 557.2103 848.6265 839.5619 738.4699 873.6878 375.4317 588.7376 788.7915 832.3473 743.1114 942.2873 839.3346 583.4053 486.4562 927.4278 1509.8104 487.1976 608.7901 874.5922 323.0743 871.2913 660.3879 820.4027 936.9073 388.6526 1051.3766 745.7083 854.5634 1050.3548 671.7080 454.4508 511.1716 458.3541 495.4202 565.8278 204.5696 325.9104 352.7933 287.4151 472.0719 266.0725 383.3052 274.0747 379.3137 580.2968 605.2751 542.4099 519.8335 745.8912 503.1725 764.1690 565.4086 425.3318 474.0259 239.5782 375.0198 484.2926 424.8264 358.6348 138.9025 441.1952 166.3116 351.4656 449.4094 388.6227 270.3656 324.5011 367.6363 400.9188 386.5388 590.4787 878.2977 382.8194 486.4083 364.7788 707.2104 763.2577 406.9979 648.8629 738.7890 607.4482 520.3288 583.4784 495.7787 699.0981 532.6138 613.0759 589.0452 761.4661 842.0616 647.1775 785.1932 707.2585 851.3598 823.0365 545.1026 458.2177 824.5615 371.6351 674.3767 786.4641 882.0114 577.6060 561.1672 668.6103 599.3817 714.2631 525.8955 1589.5516 633.0979 456.5145 480.4241 795.8671 865.5792 703.4179 615.9706 574.1098 643.6988 622.7560 1305.7393 723.5690 642.9303 576.6483 909.8893 511.2602 540.3810 476.8351 899.2995 414.4400 840.1527 791.4165 475.1861 1001.7096 771.7373 632.7476 839.0145 918.7692 749.5503 1184.4017 859.0124 971.8844 695.3647 624.1774 583.5969 383.7341 724.9009 829.2387 617.1445 870.8137 698.8136 401.3614 440.1152 774.4899 777.9846 931.8824 482.7506 470.2363 950.9148 776.3769 691.6295 575.1250 973.0802 816.0353 1046.0487 792.1672 dPFAm n=7 6080.4503 5932.4388 6173.0873 5868.9833 10248.9762 6438.1747 5285.5990 5389.7165 8050.6890 6918.8194 10979.8725 6651.1273 6286.0029 6152.4451 7021.1453 7668.9119 8068.5679 9125.1908 8385.9029 7695.5854 6001.2227 6459.2037 7771.7385 6336.4020 8542.0730 5268.5205 5262.8732 5349.2744 7058.8563 4954.0229 7055.5430 7204.7006 4975.5339 6090.6264 6672.9221 7099.7923 4501.1121 8132.3169 8830.7902 6799.2253 7423.6195 4942.2218 6061.9429 4878.5414 4741.4940 3696.1468 7679.1034 7177.2490 5917.8938 6226.0376 8439.7458 5524.0172 9421.9207 5757.3293 6954.6117 7198.3879 9300.0787 8001.4503 5832.0362 6063.0446 7024.9606 5365.3482 4269.5415 7151.9117 7432.9618 9211.9440 10135.4616 7729.7584 6566.7127 9255.3408 7682.4276 6297.5018 7838.7774 9929.8775 9054.8914 6913.8928 8484.6616 6141.4458 6904.3124 5304.3693 6740.2549 7793.0840 5209.7364 6776.3569 8847.8479 6188.3503 6557.6846 4598.9954 8860.4580 6775.9575 6685.4935 9239.0199 5486.7339 7037.0141 5357.3553 6193.2528 5614.6091 7631.4685 9328.9307 6437.7168 7103.5229 8412.0021 7395.4121 6595.7802 7847.6125 5552.4135 7492.6084 7823.3060 6422.6447 7441.2786 7390.5724 6667.9257 5562.3569 6606.3876 11455.1772 4111.3883 6669.4564 7724.2940 6064.4419 8335.1267 6775.0586 7186.5630 9697.5293 4961.1283 8415.2341 5701.4637 7668.0197 7044.2309 4874.2572 4200.1388 4470.0680 3591.5152 3273.7694 4562.7773 2819.7332 2599.2035 3784.7467 2962.3284 3531.5768 2243.9784 3438.5886 2949.5011 4260.5945 4535.9865 4583.5641 4098.9610 4017.8159 7174.6495 4681.7333 6484.1975 5720.5546 3864.3863 3557.6701 5034.5471 4093.8962 4054.1134 3462.9631 3623.6198 2733.2567 3824.7373 2737.7352 2709.1573 4275.9419 3977.9146 3281.6634 3435.5643 3264.0991 3526.7892 3250.0092 3744.1422 5531.6772 3273.0923 3948.8028 3587.7018 5251.7582 6508.5773 3257.6284 5522.1164 5432.3638 4828.7848 4528.0002 4582.8736 4163.5709 5893.3143 7320.8054 5793.1508 6096.4053 8510.9854 6312.2375 6153.3886 6681.0705 6508.4304 7979.5567 6689.3309 5404.7828 4459.8947 6328.1595 3962.9354 7083.0704 6795.1666 8271.2865 5751.1070 5222.5482 6292.9281 5571.3639 6313.5151 4598.5041 15782.9363 5388.2013 3531.1305 5378.9590 6977.9421 6383.2979 5928.6217 5708.1679 4550.1320 5403.1816 5172.0028 10882.1137 6181.4447 7165.8702 5269.3714 6862.5405 5249.5606 5955.1661 6129.5031 7990.3075 4195.6604 6802.1678 5545.6241 4597.6852 7772.9302 6365.9279 5240.1047 6987.8172 8335.7390 5425.0610 8082.4842 7116.1612 7723.9567 6903.2219 4589.4765 5227.8456 4861.3282 6503.1793 7077.6610 3434.4631 7279.5134 5334.0621 4142.0826 4329.9640 6410.5776 6108.7893 9674.7729 4969.7570 4516.2070 8126.8252 6197.6687 6714.3490 5268.0987 8367.7699 6116.5466 8120.5249 7714.4748 dPFAm n=8 410.4391 1447.2568 273.5156 170.3103 512.1728 920.0874 21.2771 249.5109 87.9492 405.3279 2696.4139 147.0304 901.6768 1944.5638 428.6213 908.0452 1772.8536 397.8260 477.0711 186.5389 133.0082 645.1056 2342.2073 437.3016 272.6441 453.0851 209.3188 144.9465 113.5151 1417.9064 2060.8715 1508.6099 658.5325 2861.4473 1170.8895 452.0299 224.9776 1024.8610 192.6391 298.8834 314.9609 523.2636 1044.2949 1113.7047 1737.3724 3149.6878 1521.6911 1816.2842 452.8148 762.5662 1566.5660 1420.0450 165.9208 1289.5822 455.3630 229.3972 297.0016 1130.2880 731.0154 775.5324 241.7194 202.6244 8.5844 1958.4129 359.4986 416.2532 912.3534 117.6299 899.8057 134.1985 394.5107 260.7449 139.1509 756.8771 612.5469 1477.2703 804.4546 500.3973 2106.7998 161.6128 2103.8352 1019.6911 2163.4663 3941.4135 179.0765 963.6240 1113.5412 641.6467 777.2407 357.9424 1843.9572 11.1211 1069.2258 291.8348 668.1048 140.0955 1500.5014 1312.4443 77.8027 2500.6173 128.1897 381.9560 107.3317 1002.8268 117.0458 132.8557 1478.4687 1542.4034 202.9111 1631.5694 372.3931 257.1621 32.1483 1014.6648 247.3904 1383.5325 1637.6991 1475.9445 466.6417 489.9400 114.9675 75.0091 751.5140 1159.3716 96.6085 102.7160 78.1029 208.7223 107.3317 348.5752 454.4462 918.5836 402.2620 55.5313 604.8655 68.1104 344.5461 225.0712 929.8479 107.5060 1817.1811 68.9842 2425.6131 298.9319 1002.2058 100.4496 58.1951 730.3793 249.7087 422.2800 184.2334 1235.7683 1511.6239 175.8835 54.4658 107.3611 96.7977 26.5967 190.3051 2305.7334 317.1291 1923.3812 201.6518 565.9550 69.4799 1107.1864 7.4585 2509.0941 855.9460 1130.4112 2120.2465 418.4683 559.2144 104.6640 442.8257 1406.7025 419.1984 20.3579 1053.7553 644.9511 586.9674 969.4922 997.7023 553.4794 425.1061 109.2708 1333.3843 1588.9779 463.3421 45.2937 130.7028 685.2859 990.2834 108.0957 798.4984 377.3638 1473.9972 296.8211 2591.6652 146.6308 1086.7559 296.7644 219.6577 167.4672 240.6148 54.4612 569.5029 716.0411 319.9956 585.8053 493.9464 1490.9510 31.9446 20.9834 1779.3858 496.4316 279.6974 459.6016 431.7776 2466.7405 420.7960 430.0845 1126.5669 943.7882 701.5865 115.7298 774.9031 80.7665 471.4082 1639.6879 687.8767 42.2664 630.1250 548.6079 775.6638 569.3297 1164.4596 283.8327 1518.7477 60.9734 769.5379 dPFLSA n=5 104.7259 364.5141 584.5957 418.3703 350.5975 279.3630 640.1933 243.3162 69.3957 35.7844 63.1258 234.4370 321.9887 423.7195 555.1516 159.3946 478.6202 399.0212 557.5043 227.9744 361.2959 76.4550 88.7252 686.6827 31.9157 77.6230 567.7694 333.3072 621.9748 552.2723 540.1446 180.6944 409.5989 389.6065 262.4104 323.0818 451.5602 104.4777 130.6771 334.5069 319.5022 224.7811 138.2698 343.4600 281.3946 728.8614 328.4546 23.8353 534.9467 318.2870 144.3262 103.9919 116.0294 172.4502 327.0791 43.3642 383.6004 173.9901 566.4545 214.2583 590.8316 245.4455 255.2549 144.6213 365.9489 174.5029 280.1582 392.3414 454.4357 356.7749 761.4364 346.5907 82.1249 34.9048 286.0464 387.9564 314.2996 296.1503 449.5082 26.2582 62.9467 279.8902 349.5802 306.0071 592.8511 109.6856 669.3093 139.0597 587.3879 515.3911 583.6207 1963.0946 651.8514 452.7378 396.6448 348.7012 553.2542 125.5987 341.5259 550.5873 205.3523 408.0840 58.9717 311.8758 344.5282 338.8127 537.2639 350.5998 319.9516 817.4897 825.3335 67.3796 107.5166 482.8049 14.2163 297.9185 86.9323 33.0362 164.6111 97.2044 24.8365 444.6233 181.4337 160.0373 186.7399 94.4007 174.4663 331.1501 664.0171 31.0244 295.6515 246.9384 54.5293 45.1161 32.1715 275.5672 262.8392 225.1595 395.7719 185.3167 196.4630 150.8192 282.0378 292.6241 17.9414 13.6051 528.3433 201.3306 21.6924 173.1549 13.5633 204.8494 109.1556 256.4402 408.8345 223.5953 120.3297 323.4850 254.0615 341.5684 194.7357 322.5000 580.3687 27.5929 26.1843 1570.2873 457.0995 92.8180 594.3963 502.6370 259.5994 854.1635 486.2214 81.0512 61.5604 938.6764 406.0416 141.5673 390.9274 146.4070 278.5091 353.5295 24.6879 165.2988 556.1018 301.5539 737.4133 1403.7491 108.6435 1740.0299 174.6672 483.7879 189.4162 299.2413 105.8085 310.0485 1288.3615 449.9310 1278.5624 609.3727 53.8896 24.7097 593.1143 272.4447 231.0185 48.4621 312.2735 292.1178 220.3925 110.9989 1653.6348 213.4542 90.3025 21.9954 476.9703 320.7243 183.2124 371.3712 53.0964 310.5739 103.5995 493.6332 216.2705 348.9385 415.4212 309.1756 436.8781 530.8941 705.6864 402.4248 143.9158 435.7575 635.4785 108.9805 272.6254 341.4473 32.7996 GCA 174.7316 55.6360 32.6184 32.3387 160.6020 67.8206 35.4224 72.5305 167.9189 24.4803 60.0930 38.3445 219.7160 17.1133 16.9255 167.3874 22.6073 49.5840 37.9980 281.3426 68.4356 49.7738 101.5290 82.3125 51.2870 98.0168 16.3799 101.8653 101.0808 27.3056 31.9823 164.3261 102.8495 25.8891 87.6421 52.5467 11.8572 21.5374 39.6439 25.3457 20.6788 453.3647 94.5863 33.2278 27.0581 95.4246 51.8241 29.7183 397.7975 137.0150 59.6447 26.3349 216.6080 80.7651 169.8720 25.7566 13.5011 72.6344 39.5361 35.8182 25.8193 193.1535 11.8387 26.6478 18.9509 67.6290 18.4179 387.1885 77.6719 65.5510 25.5383 50.6316 58.3068 587.2937 108.0167 386.8071 37.7195 39.0930 68.1435 95.3952 2373.3276 13.5929 22.8467 27.8188 71.0870 36.4088 21.2457 21.7849 242.0786 58.6285 463.3469 19.2864 49.2140 19.4655 11.5004 9.9473 53.3491 46.5129 119.5847 139.8989 36.4107 300.0801 38.8688 48.5109 73.3547 39.8533 84.3188 27.2089 39.6820 85.7821 415.5639 136.3985 84.0299 184.1504 28.3196 54.5554 11.0326 217.8706 150.5695 28.7600 68.5954 98.4948 25.2744 58.6871 23.4587 45.9857 4.4009 91.7283 120.2302 194.7690 64.4983 11.5077 30.4025 84.8751 17.7773 139.0796 166.9561 22.4255 20.3515 17.8994 83.4865 1436.1242 11.7726 24.3915 34.0625 124.2883 330.3186 41.3843 50.1120 38.5861 18.4266 41.2492 20.4156 32.4470 55.5610 49.0647 99.2749 102.3569 105.9372 22.1819 240.3333 57.1569 39.7452 93.5288 105.4412 280.7669 26.4248 50.2140 109.8487 27.4221 22.8202 421.3778 244.8965 29.6035 138.5295 88.6401 30.6234 24.9245 72.3526 143.6264 75.1707 29.3873 173.5201 70.8858 108.2765 8.4066 44.6727 40.2222 120.0259 36.8010 114.9243 73.2697 55.2486 83.6903 30.2507 10.7642 34.5151 31.4190 11.2643 139.3079 110.6476 115.3858 48.8642 57.7041 75.1732 97.7486 38.6153 140.3152 89.4947 278.4580 124.6973 13.7131 563.5974 8.8249 89.4496 8.3572 230.6833 5.9373 77.2263 44.0724 100.4876 42.8765 96.5267 91.5010 32.9198 38.3288 43.5547 116.3066 65.3458 653.8527 60.3932 56.4621 6.3573 63.7000 34.3512 42.8816 51.9870 66.8269 344.2766 16.5827 8.5577 14.9325 6.2087 92.5810 53.0628 118.8218 69.5018 37.0816 35.3693 7.3576 127.2195 18.2235 42.0781 56.2651 41.3550 40.0562 38.2537 13.6074 113.6004 13.3692 93.4272 169.4308 65.7184 98.1236 GCDCA 250.6797 116.1237 111.6854 170.3222 294.7914 135.6843 103.1936 131.0309 396.0065 64.5209 128.0303 66.6563 287.7395 70.2234 47.8462 907.2309 52.3600 53.2551 139.2360 361.5089 215.5904 195.7725 156.0268 199.9301 136.1723 163.7853 58.4626 164.6457 149.0784 170.6918 54.0325 400.6272 424.7027 127.2346 167.1220 75.5822 49.0729 63.7618 65.7122 58.9803 55.1676 513.3315 172.9710 67.4464 53.5143 257.0335 132.6246 74.0369 785.6644 137.5640 427.9665 103.9645 294.2557 111.7656 356.6362 82.2057 52.1020 133.8343 120.0962 64.3064 115.4544 368.5477 49.3742 111.1378 146.5292 104.8995 59.3625 536.8915 148.1407 100.2841 137.2565 128.8899 249.0228 310.8021 336.9249 640.9509 79.4553 71.6955 158.3850 213.7056 1014.0139 79.1799 112.7820 59.2880 167.4783 112.0354 85.7329 109.2935 410.5389 161.9146 272.5820 150.9879 243.0891 46.8478 37.1680 36.7087 135.5489 96.4379 210.9169 225.7832 46.2435 633.6122 79.9647 88.2909 173.7308 237.6041 258.7921 83.9543 154.3601 141.1884 373.5110 489.6683 154.6196 320.3535 63.2697 265.5317 37.1137 671.2563 186.3881 115.9246 168.2917 258.8734 71.3076 184.3547 99.0218 197.7165 36.3858 120.2200 275.7436 521.0939 104.4792 36.9037 63.5434 132.1994 77.0015 170.5647 337.0345 64.2160 44.8370 73.6354 177.9841 1633.4504 32.3338 127.3652 131.4888 254.3742 366.6175 62.7786 51.9517 105.9583 62.2231 608.3306 48.6617 111.7508 255.6325 133.7449 259.8308 156.8420 165.2216 84.0148 565.0015 102.4559 173.2851 169.0225 276.1132 602.2568 56.8038 132.3812 125.3876 73.4399 38.7608 339.2058 229.8070 61.7448 332.3307 181.9737 80.2595 40.5558 264.5818 397.3534 209.8511 61.8391 345.9314 140.4470 209.0840 134.9172 177.7358 140.3915 521.2558 91.1033 383.3126 107.2480 129.4918 208.0030 98.6389 50.4485 65.7667 105.6973 64.3028 391.7745 159.1207 486.8016 172.3314 85.8180 129.8152 215.0143 149.8486 498.1458 171.5351 944.6283 326.5418 38.6857 785.4484 89.1145 237.5262 107.9851 187.3299 49.5768 127.0420 90.8524 115.5663 111.2408 287.3437 71.3568 68.8929 165.7986 75.1085 241.6541 123.8364 873.7142 62.3730 111.3276 35.0201 188.7391 105.4015 91.7368 180.4124 138.7039 546.6391 65.5637 81.2402 90.4189 63.4103 85.1597 106.2474 90.4449 361.2958 160.6091 48.4277 32.2556 178.8519 130.3790 117.6009 89.0798 82.4304 152.2928 187.3124 181.2523 313.8826 356.7457 283.9470 234.5272 195.0283 260.7564 GHDCA 6.1339 1.2971 3.4263 3.9904 7.7805 1.0270 3.4559 0.5629 9.1791 0.7966 1.5202 0.5270 11.6415 4.4004 0.9398 89.9201 0.6464 2.1223 23.8585 8.2167 16.5687 2.7202 1.7645 1.7279 1.7019 1.3121 2.5082 8.9627 3.9790 0.8517 2.5768 14.5442 7.2080 1.8396 4.3322 1.4116 0.6319 2.2469 1.8372 0.9324 10.0682 6.1533 0.4812 0.8541 4.9364 1.6422 1.3230 5.3295 0.4324 5.7044 1.6024 3.6070 2.5270 9.6503 1.0275 0.6943 0.7577 1.1071 1.1093 1.8551 3.7593 0.6271 1.0833 8.5851 0.0737 0.5910 13.6930 2.3533 1.0584 0.9064 0.8431 6.7328 11.9755 17.9868 10.8829 1.8709 1.0715 2.5439 6.0133 10.8315 3.1790 0.4643 0.9175 2.4802 3.8159 1.8659 4.6535 5.2454 0.8537 5.5296 17.5223 2.3147 0.2553 0.6210 0.5989 2.3630 1.1726 0.9863 4.5223 1.1749 5.2421 10.6095 0.9724 1.8479 18.6833 4.4662 1.3617 3.2261 1.1074 14.7509 13.3127 7.1760 8.5688 3.0052 5.9704 1.6404 17.4401 3.2938 1.0046 2.4821 13.7630 1.1539 6.2084 13.7602 1.0013 0.5166 0.8925 1.1855 18.2331 1.2765 0.6680 1.0293 1.0573 0.9969 1.6178 8.4127 0.8894 0.7835 1.0138 2.6049 3.9258 0.2345 6.7650 2.9549 2.8306 9.1847 0.4824 0.7584 1.9523 1.0211 63.4319 0.7697 2.4393 3.9059 5.2604 8.9302 3.3263 3.2084 1.5321 4.5524 5.9054 4.1776 1.0423 4.9365 7.4276 2.1532 5.0581 2.4250 1.0335 1.2768 6.7640 9.8348 1.1245 4.4933 6.2524 1.0400 1.1465 17.2977 6.1565 3.5607 1.9781 8.0556 4.2854 2.2999 5.8240 3.3814 1.5302 8.8309 0.1823 11.1357 2.7104 1.5153 1.7797 1.3575 0.7126 1.9455 1.7858 4.6409 40.2446 3.7150 4.7528 4.0221 2.6619 1.6774 8.1823 7.1027 12.0721 5.3010 56.5913 87.5292 2.9820 13.3189 0.3287 2.5264 2.7346 5.9993 0.3081 0.6530 1.5436 2.3737 2.4441 9.0885 0.8219 2.0282 12.4391 2.4128 0.7480 30.3479 0.3242 14.9027 16.7056 0.9549 2.4344 0.3327 2.4043 6.2396 0.1878 1.2196 0.3736 0.3032 0.3170 1.5346 2.3369 16.6574 2.2996 0.1540 1.1914 2.5253 2.6350 0.4127 5.4633 2.2085 3.6218 26.8480 5.3130 8.2045 15.4101 3.3239 GLCA 2.6896 3.2263 4.6579 5.5889 6.2771 2.6913 5.6858 3.0171 4.4165 4.1335 5.1469 4.8261 6.4777 4.0692 3.6343 7.1554 2.7760 3.2692 14.1120 3.1829 3.8373 5.0381 1.6035 3.4808 7.0429 4.2365 3.9113 7.3199 5.4210 7.7166 6.3951 4.6183 7.1451 4.7685 4.1299 4.8175 4.4863 5.5334 3.3418 4.2433 4.1111 20.4934 8.0147 3.6090 6.2189 12.5843 5.2602 4.3005 6.4327 2.5990 30.6458 2.7040 19.8199 4.3098 5.9011 4.5642 4.7684 4.5592 4.0268 5.6664 10.8566 6.5823 6.3051 4.6097 12.3481 10.1080 5.4957 5.9376 5.3330 4.6481 6.5042 3.6270 5.5800 3.6092 5.4465 9.1440 4.6413 3.5842 6.8385 3.2893 4.4490 4.7909 7.2033 6.3030 3.3731 6.5886 3.8166 5.2465 8.2192 4.5855 3.5862 4.4024 6.0857 3.3225 5.2498 4.5224 10.6336 3.0777 3.1122 2.2220 2.9387 5.2683 4.3253 6.8007 3.1852 26.7507 4.2044 5.1196 6.6776 3.3418 13.6536 2.7836 2.1864 5.4555 5.7065 5.8313 5.3380 31.4195 3.9454 4.8685 6.3096 8.3971 5.5312 11.1886 3.9508 8.2779 5.2079 6.1767 4.6214 6.2573 5.1280 4.5557 3.3795 3.1431 5.1422 6.1545 7.0208 5.5630 2.8257 2.6037 9.6606 17.8098 4.9917 4.3647 9.1266 5.6760 4.3917 4.5613 4.5347 2.8344 3.0875 19.2689 5.0624 4.5970 6.4150 3.7037 6.0028 3.7187 4.2015 6.0755 7.5318 2.1921 7.7038 4.6269 6.2510 7.4049 3.2873 2.6553 11.5762 6.5958 4.8869 4.7645 4.4463 4.9922 4.3149 4.3325 4.9918 4.4335 7.0994 3.3381 5.1652 2.4830 5.4374 8.7812 9.6052 11.1698 5.2047 5.5805 8.9416 3.8053 4.4073 4.1126 3.1708 4.8556 4.5670 4.3634 1.7936 5.4194 1.7802 1.4425 3.8070 8.1089 5.1484 7.5887 5.8193 6.2029 5.1529 5.9908 7.1666 40.2147 3.4572 2.5255 28.8979 5.1280 7.3083 4.4286 10.1164 4.4476 3.8061 3.9696 8.5393 3.8306 5.3451 3.3151 5.2985 6.0829 4.8218 6.5509 4.4145 7.4729 4.2751 3.1302 4.0747 2.0667 2.6304 3.1586 6.4680 7.3423 14.5851 4.5638 6.3589 5.8235 4.0546 3.8007 6.7219 4.7358 3.5721 6.4923 4.4411 4.3230 3.3012 6.7666 4.6024 5.7226 4.1687 12.6552 2.1336 2.9981 8.8155 6.1985 3.8695 6.6351 7.4489 10.2104 Glycochenodeoxycholic acid-3-O-sulfate_528.2626581_3.58 1243.9484 801.2849 4822.5343 1653.0187 884.2492 570.2852 1998.9925 907.2036 7723.4507 750.0466 581.9709 155.0423 3124.7531 2253.3701 424.2993 4903.3292 3285.8339 1447.3036 1030.9451 1323.2515 1468.1206 1979.9885 650.9341 466.7801 795.5590 1009.2584 732.5067 3853.2133 522.4878 882.9291 976.6442 1586.1016 384.9320 588.6849 3623.3200 536.7135 1783.8025 388.1676 828.0716 244.1110 3444.8139 591.2067 309.4239 37.0142 2607.4678 1445.9679 727.9275 2126.1866 3145.9716 3499.7654 1151.7705 1945.0084 983.7524 1793.1711 989.6976 3693.3038 543.0333 1264.7649 705.0210 1112.4799 532.0985 1017.7317 435.8221 560.6781 1018.7964 2777.9079 603.3655 1363.2437 796.4314 321.9917 599.4829 9873.4099 1264.3333 355.2058 4401.8028 260.5220 1991.3546 289.1268 1263.2242 387.2102 974.1777 1211.7927 1921.6590 917.6088 412.0840 1373.3539 1161.1873 969.9674 2906.7681 222.7002 891.4294 1472.3213 132.8652 396.2112 1148.1369 1458.1401 2246.3676 1467.6735 1484.3504 2989.8277 8621.8936 805.3996 74.2865 31.7462 2381.7011 618.4343 1648.4917 15272.0886 7723.8167 2230.7426 450.4518 1436.1393 1781.6018 2117.7774 307.8073 1234.1408 543.2267 803.4822 2446.6889 741.8641 861.6004 1702.4104 467.9728 210.3092 227.4241 1562.7777 2744.0559 2147.8366 652.2308 442.6443 307.7264 1088.6005 205.9214 671.6654 155.7404 119.7161 558.2658 200.3242 705.9156 662.8924 134.4332 282.6390 1316.2953 222.7613 2649.1933 419.6193 2498.4887 5015.5631 280.3051 400.2140 292.4246 1099.1285 2679.6779 295.4559 1784.3260 308.9162 1220.5191 299.2951 450.1795 454.0813 171.9969 483.9386 2560.6229 1315.5016 1081.7238 2055.6625 1575.5610 515.1085 1251.8657 795.6634 544.5266 984.4110 2052.5269 387.9394 437.3479 631.1386 390.5253 2144.0803 616.5466 1293.9787 1173.9448 1434.4444 1207.5520 1306.8837 116.9780 817.4332 1693.8854 3957.8647 1121.8045 739.6499 1253.1518 1883.1370 808.0708 1316.1265 2741.2528 543.7132 3354.1006 1433.4506 734.6825 849.5103 1125.7065 3385.3622 1185.6980 282.3624 2781.5134 2899.4417 235.4457 1255.0355 1769.5498 761.1170 656.9753 733.7979 790.3828 983.6735 2484.5269 168.8301 2813.6848 1131.6686 1320.2747 100.7242 2142.8339 409.2270 1441.5304 135.3117 639.6173 10317.4839 1063.9379 755.8550 1030.9872 1068.8042 401.0026 3685.6932 718.9458 990.5078 1034.1267 230.2981 1591.5727 392.3322 450.0139 563.6171 983.8312 699.6436 97.0645 3398.0921 279.0225 10114.6130 675.3832 715.1319 129.7171 536.5896 1321.1775 946.3436 1480.8538 206.6845 4758.1494 Glycochenodeoxycholic acid-3-O-sulfate_528.2626977_3.54 1672.8251 687.9434 939.9643 1041.8897 913.1801 679.3223 3057.9134 1049.2694 6762.2002 862.9209 639.0283 226.6807 2210.5129 3535.7380 620.3498 6953.2299 2431.3830 2362.5495 3303.1389 1941.3025 994.5939 2115.1047 1263.1016 930.6632 794.5843 1098.6545 1207.7381 3753.5467 952.4793 403.1196 1254.5207 1351.4676 884.6236 697.5027 1000.7027 1010.7475 1812.1052 858.6469 833.9942 356.9041 644.9148 868.6202 702.1335 54.1169 3996.1686 1750.4248 1290.7205 1960.8757 5718.4997 1553.6196 261.4902 434.9292 256.7878 1830.1836 1624.5577 2636.6412 539.1580 346.3011 601.6082 1420.0955 890.0063 918.3172 1097.2464 551.9134 854.1116 5812.5802 1242.2026 2024.8178 1509.4088 470.7701 980.9401 9065.9657 2092.2175 1071.1585 1522.1713 380.8980 429.8139 1949.0963 1480.3557 917.1136 1647.0113 2007.1543 3291.0410 414.1714 452.9614 1086.9296 861.1475 1072.9701 3012.7545 325.6004 998.0383 2404.1076 194.2565 867.6884 524.0149 1317.3870 2822.5936 1946.7776 2422.1543 3777.3731 12890.0817 1378.2640 108.6111 46.4148 2346.4468 1116.2410 1201.0011 6463.3900 4209.9670 1341.4986 354.8678 2083.9606 2696.7561 1814.9198 450.0318 1680.4483 1015.9841 1174.7367 1907.6085 811.1793 1632.7479 854.9935 507.2917 307.4840 332.5070 549.9694 3766.0372 3829.9396 451.6238 792.0563 683.1997 861.8480 301.0688 216.9032 520.0339 175.0317 1052.9917 292.8854 1672.6662 1123.0603 196.5490 714.0316 2052.4360 652.2255 3618.7572 393.9587 1876.3201 3724.0353 409.8219 860.6837 427.5414 811.9568 2822.8688 431.9734 1942.8871 260.8917 470.6298 635.2344 1253.7045 774.4952 627.9118 455.8904 1448.1235 708.1951 205.0000 3138.9467 291.8825 522.3542 2617.7714 1140.6914 1012.3962 835.5981 3358.0863 907.4464 871.5175 1036.3166 570.9702 4202.4130 1339.7766 332.5914 1160.0056 2437.6044 1207.5520 1306.8837 116.9780 817.4332 953.4316 6392.9107 2130.8748 739.6499 1253.1518 1883.1370 808.0708 1316.1265 3406.4250 543.7132 2903.7156 655.4294 734.6825 1229.8538 1784.2453 4035.6832 1910.8889 282.3624 2781.5134 3490.0222 235.4457 6311.1889 2484.7288 1601.1794 656.9753 733.7979 1245.2800 983.6735 2123.7369 168.8301 3379.5294 1714.4436 1320.2747 100.7242 2142.8339 409.2270 1441.5304 135.3117 639.6173 3053.6965 1063.9379 1485.5905 1030.9872 431.7597 401.0026 392.5655 718.9458 990.5078 1034.1267 230.2981 2459.0990 392.3322 450.0139 563.6171 1514.5738 699.6436 97.0645 5436.1927 279.0225 12499.5075 675.3832 715.1319 129.7171 536.5896 2274.1804 1212.1661 1243.3470 206.6845 1728.0602 GUDCA 10.0174 2.7023 5.7899 4.9097 11.8551 2.1256 1.9606 0.8332 2.7359 1.1791 2.9037 0.7801 17.6373 0.6419 1.5718 3.1092 1.6680 2.2596 35.4407 12.8289 25.4094 5.0250 2.1230 3.7202 3.3964 2.3983 1.6715 1.7388 2.2445 1.2606 4.2795 1.2720 11.0757 3.5279 7.5292 2.1657 0.9354 3.6764 3.4064 1.3801 4.4536 9.8174 0.7123 1.2643 3.8177 2.8478 1.9583 2.8183 0.6400 2.1134 3.1643 3.1696 4.4765 1.6409 1.5209 1.4139 0.8241 2.2026 2.3462 2.7459 6.1198 1.5007 2.2315 13.2026 0.1092 0.8747 3.4369 3.9379 2.2089 1.3417 1.2480 10.7168 18.2232 3.5721 16.9388 3.8929 1.5861 1.2952 9.7847 1.4647 5.3034 0.6872 1.3581 4.2827 6.4012 3.3934 7.6008 8.6069 1.2636 8.6085 27.2698 4.0383 0.3779 1.3870 0.8865 3.6505 2.4947 2.0544 7.3720 2.2355 7.9591 2.5159 1.8356 3.2223 28.9352 7.2302 2.4992 5.5998 2.3267 4.4420 1.8817 11.1318 1.1942 3.2024 9.7090 1.5483 2.3088 5.2875 1.8110 4.0401 20.8594 1.7080 10.2621 21.4005 2.2349 0.7647 1.3210 2.4836 27.9368 1.8894 0.9887 1.5236 2.2360 2.0121 2.7491 13.5910 1.7828 1.1597 2.2612 2.0784 6.4372 0.3470 10.7895 2.0571 4.5794 14.2299 1.2273 1.1225 3.3479 2.1573 5.0090 1.1393 4.8104 6.4726 9.0601 1.6318 5.8021 5.8151 3.3889 7.6253 9.1465 6.8706 2.1614 2.5550 1.9187 0.6853 8.4799 2.7858 2.1757 0.8066 10.6669 14.9698 0.8845 7.3020 10.0086 2.1635 1.6970 26.4434 9.6973 5.9275 3.0330 12.3534 2.2825 2.9382 3.2511 4.9100 1.5395 9.8469 0.8519 12.4242 2.7267 1.5245 1.7904 1.9540 0.7169 1.9573 1.7966 5.3496 40.6529 4.3490 5.1015 5.5803 2.6779 1.6876 9.0927 8.3330 13.6753 6.5100 5.0915 71.5314 3.0000 1.5840 0.3307 4.0831 2.7511 6.2526 0.3100 0.6570 2.5972 2.3880 2.4589 9.9263 0.8268 2.0405 13.8804 3.4498 0.7525 11.5078 0.3262 16.1317 17.5092 0.9607 3.6324 0.3347 2.4188 3.6248 0.1889 1.2270 0.3758 0.3050 0.3189 1.5439 2.3510 17.7684 2.3135 0.1549 1.1986 2.5406 3.7005 0.4152 6.0383 3.0484 5.7381 27.6052 6.3675 8.8567 15.7914 3.8946 HCA 0.1613 0.7025 0.0819 0.2336 2.8900 0.2469 0.1289 0.2247 1.8893 0.9429 0.2579 1.9300 0.2522 1.7777 0.5205 0.5361 0.7166 5.7803 1.1530 0.3739 0.1022 1.4225 1.1652 1.2801 1.0770 0.9029 0.2708 0.8406 0.7677 0.3576 0.4223 1.8452 2.3627 0.4412 0.2517 1.7214 0.3448 0.1008 0.3821 0.8433 1.0619 0.1442 0.1073 0.0455 0.1376 0.7582 0.0639 0.0981 7.2853 0.0621 0.0663 1.1068 0.4159 3.4973 0.8638 7.1967 0.4173 1.4219 0.1856 0.4457 0.5085 0.3400 4.0718 1.7882 0.0890 0.3463 0.0467 0.6308 2.9502 0.7278 0.0877 0.6459 0.9969 0.5652 0.2960 0.8458 8.5626 0.1834 1.4101 1.3170 0.9415 0.2051 0.3580 0.7062 0.1379 3.4352 HDCA 45.9512 29.3174 85.1639 322.0593 107.1929 22.9138 260.6956 5.0425 52.1718 29.2085 9.5178 52.8559 176.2442 169.9950 23.2446 660.4193 24.9337 37.7749 178.9738 166.0924 95.8681 182.3412 90.6709 144.6739 47.6969 40.1198 23.9321 412.6850 186.8349 168.8022 205.9243 28.0132 146.9942 29.0093 10.5862 93.0712 298.2191 67.0804 134.7370 449.0171 92.4794 489.7959 38.9898 65.1727 113.5643 498.5492 101.2268 127.9384 79.5611 23.7322 244.5003 251.3859 60.0157 59.6938 173.5380 247.4609 304.5128 70.4616 13.4062 274.7760 198.1140 195.3055 116.6097 142.6134 99.2028 4.5932 51.5451 116.3896 44.1893 63.7983 111.0759 5.2353 60.7083 441.4951 345.7001 51.4113 140.8937 3.5211 183.9262 35.7315 94.8724 183.2659 68.5361 141.4717 174.0701 219.7758 63.7738 104.3254 74.8199 20.6586 60.6569 747.8865 43.6868 109.5295 156.3821 221.6347 123.2133 196.0183 14.3281 136.8531 72.3474 166.4483 171.6385 175.8314 68.4694 40.7825 29.9816 29.4783 272.7999 53.4622 199.9565 692.8120 79.7738 112.0346 349.9478 42.4603 530.4002 95.7760 257.8552 242.5749 61.0263 199.2715 154.0672 124.7389 209.4650 61.3363 86.3411 89.7540 12.9682 37.7050 40.7330 154.2439 129.7569 67.7868 113.7037 55.7424 363.9980 91.3442 117.1254 88.2258 78.9486 413.7749 44.3012 29.4790 447.7240 55.3070 72.5430 94.0296 102.4044 72.9468 84.7694 199.4695 83.1759 97.0595 284.7076 29.5680 132.1692 5.8853 77.7845 219.1384 32.8173 40.3825 139.1883 34.4294 127.5606 58.5487 99.2181 179.0706 259.6078 116.5838 129.4584 42.5162 86.7478 161.3320 60.3099 200.6743 36.6991 78.0529 199.7811 26.0791 9.7266 90.2832 48.9085 233.1802 160.6565 224.4974 414.5338 70.5495 71.7381 87.5863 101.1907 45.3588 7.2320 150.3651 37.9800 879.9449 203.0682 88.3675 56.7943 225.3329 30.1563 49.8549 56.0099 376.8039 170.7181 338.3432 221.0494 154.1989 93.0170 169.3805 110.3443 4.3446 161.1812 198.1663 58.1944 162.6711 245.2438 98.7193 58.7192 50.0306 225.3481 21.9584 38.8341 21.7241 264.7533 71.0352 18.2362 127.6211 32.0754 769.5768 126.0200 217.0195 91.3137 56.5350 31.9332 102.5972 67.9459 115.9295 387.5284 63.6157 315.2955 85.1618 7.8718 25.2094 203.5034 315.9371 333.3630 196.6391 54.2717 98.8037 143.3389 37.5938 362.6826 157.9553 84.7669 39.9686 80.5869 26.3527 284.9148 70.1997 160.4097 121.3522 68.7118 HPFLSA n=6 703.0891 695.2526 642.0826 627.6996 947.7187 707.2550 897.2890 790.8310 678.2372 827.8804 1405.6715 599.2672 535.4294 599.7604 640.2702 797.3137 1097.0085 799.7431 1026.0027 1031.9111 978.2181 913.9578 977.1208 613.1213 754.1034 876.8519 598.3582 495.2628 654.3730 644.1596 155.7471 650.3160 607.0740 1079.9766 1159.0278 1091.1210 629.9354 867.5616 686.4603 738.3175 713.6174 740.2365 610.0760 444.9822 431.1275 445.5537 776.5708 799.2543 693.3539 996.3729 957.2187 833.9385 1036.2176 792.3285 77.8889 1043.3420 888.7301 958.3588 858.8188 641.6862 1059.1717 655.8807 1024.1291 718.9704 956.4913 845.2669 1162.6912 806.8710 707.5439 1137.3922 800.0510 1039.8327 806.4650 1043.4439 737.7452 700.3309 1018.4273 1010.5454 699.3882 903.1291 1039.2680 996.4608 840.8528 655.2659 1159.1264 752.8336 632.4754 698.8293 844.6291 881.0507 925.6655 1018.6701 547.2850 869.6120 491.1209 690.7270 633.5890 935.2081 901.1345 535.3754 872.3687 856.9633 657.1458 869.4030 810.8841 689.9521 732.2187 709.2795 808.5114 805.2973 900.6903 507.3581 803.0816 1129.5206 1234.2996 573.7754 484.9695 719.4582 472.2100 710.2616 644.5002 792.8319 924.4065 582.5127 1050.0015 880.3159 696.5965 904.2137 767.4917 622.1154 576.9477 339.6387 438.7616 710.0569 599.4494 518.9223 52.7339 293.1914 542.4499 457.4047 439.9842 438.0871 435.9596 885.9809 402.2310 432.4253 514.6685 936.8057 822.7991 863.8610 633.9929 617.8659 415.7168 624.2163 590.9116 542.9353 415.6041 347.7270 464.7441 517.3387 376.3281 339.5132 586.6332 344.2287 415.6675 338.0723 359.5344 447.9105 355.4768 692.1913 1096.2683 531.1795 426.8265 475.8274 583.1825 528.2058 610.4118 721.1805 776.6126 523.9284 770.0749 440.5026 849.6171 564.4503 811.4002 644.7992 899.3151 127.0424 682.7097 764.9841 780.5839 679.7116 895.4612 774.1615 521.0198 709.5750 760.4866 639.1080 708.3993 710.5387 869.4162 534.5820 892.0722 686.2152 637.4061 863.3418 497.5715 1293.3632 557.6002 600.6068 450.4894 725.9768 766.7378 638.4899 848.0120 514.2793 463.2223 460.4489 1149.0818 749.4897 722.5790 769.9858 688.2651 585.2635 545.8736 795.1413 816.6326 676.2561 819.8752 596.3285 727.3978 816.5897 730.3907 514.8630 634.6626 817.6935 844.3742 913.7142 711.1398 772.7433 757.2406 823.6523 559.7983 670.3141 662.5193 605.3010 702.6253 1107.2883 598.3034 530.1834 650.3565 646.0776 580.3382 815.3457 476.7730 692.8614 714.7699 627.8702 898.2833 349.9613 780.4839 596.3754 833.8261 883.8778 K/d-O/CO-PFLSA n=8 293.6530 411.2305 384.6038 288.2622 496.8267 332.8215 538.3288 398.8323 562.2511 306.7337 648.3427 244.8733 285.4326 465.3344 515.6441 337.9703 475.5343 623.1740 495.4753 399.8824 589.1269 325.1458 350.6173 433.2630 439.4280 572.4094 333.1221 346.1941 462.8844 295.3004 470.4785 330.7088 316.0544 692.5085 590.8497 593.9566 370.6412 574.4918 409.0186 418.7198 568.7859 347.6392 292.5351 374.3216 404.5352 270.7291 537.1217 454.1024 297.2992 665.4382 645.4234 544.1086 614.9908 515.9066 233.5646 635.4965 647.8529 411.4074 473.9476 357.4405 400.5247 448.7087 595.6374 537.0818 473.5171 370.0630 323.7928 496.3226 528.6570 487.2227 471.5377 442.7058 363.6555 321.2585 615.1382 366.5377 448.6523 568.4511 327.1206 457.9472 506.7237 534.0026 486.9070 405.8299 813.6001 556.9841 483.9887 566.7221 617.9263 553.9393 533.8398 528.9060 432.0748 513.6222 334.1362 445.1873 547.2550 458.9457 716.3094 225.4938 305.7966 715.8919 529.4985 605.9922 454.4880 575.7323 560.4452 555.5849 407.0511 559.3093 507.8501 393.8526 392.6699 708.6598 801.8199 542.8891 469.0008 660.1308 390.4772 687.8085 547.8011 505.3839 575.8931 316.3858 493.1349 551.7861 546.3611 494.3224 585.5463 430.1210 146.4206 251.6108 246.3622 295.5109 333.1311 358.2950 101.6092 164.9186 268.6442 206.3357 281.0930 253.8848 431.2338 458.5839 357.7680 390.6168 272.6294 569.8201 331.0027 656.7468 206.1114 347.4998 206.9481 434.6768 324.5167 288.7876 320.2428 75.9121 284.0557 284.8812 279.1066 129.3650 451.7037 353.5685 277.6454 285.0121 288.1859 318.8367 209.8455 411.9140 663.2474 325.9039 332.1264 342.0818 495.2099 526.8697 352.3930 365.4875 392.2604 447.7309 363.7192 361.8404 469.5698 488.2010 433.1973 732.8737 543.4562 223.2900 485.6398 613.0462 505.0063 420.5653 542.6465 779.2474 246.4836 395.5532 550.6392 344.1592 379.5015 405.8395 365.8138 397.7057 686.9196 411.5618 739.8999 408.0644 329.4662 910.1246 354.5698 394.6586 287.0407 439.3136 444.4714 328.3586 568.6327 272.7591 296.1286 383.0234 448.8548 303.9766 420.1552 494.8121 364.4931 262.6376 298.0315 510.7292 513.5799 378.8233 193.5094 330.1597 508.7470 483.8978 702.2413 197.9273 473.5039 548.7200 701.2215 540.4219 335.7287 458.9170 472.4225 426.0150 325.3816 360.4990 371.1050 436.1563 542.0879 665.9336 407.1493 402.0883 482.8124 292.7038 383.1384 471.5247 412.8622 491.1170 272.0667 410.5421 571.6655 272.0123 460.4561 399.7645 419.8526 526.3975 LCA 8.6120 5.2014 10.4098 12.1034 12.4393 7.4037 7.5891 6.9284 23.7209 6.7317 8.6866 7.6438 11.0997 11.2462 8.4028 9.1525 5.8986 9.7622 9.3290 11.5769 7.8217 15.0460 6.0742 9.4364 8.0516 9.7841 6.5896 26.7544 8.5595 9.3070 12.4432 5.7667 11.7246 8.8554 7.8462 6.7363 9.8452 7.0758 7.7699 7.0848 8.7974 33.0724 7.2884 8.6141 9.6655 17.4271 15.5495 10.6558 11.3147 7.9050 14.2591 6.7298 11.1193 9.7025 10.4945 11.9719 9.7919 9.8503 5.4829 10.4260 9.4889 9.7848 9.6707 6.8071 7.4950 4.9634 6.5434 9.7789 10.5040 6.6715 10.4649 6.2590 8.8039 6.1934 8.8795 7.5936 5.0192 6.4975 8.6882 6.1229 6.2713 10.3538 8.3898 10.5018 7.5548 10.6062 6.7849 12.6958 11.7358 5.7825 10.4877 6.1437 16.2598 7.1039 7.1245 10.3606 11.6069 11.7218 7.5769 6.7022 6.6671 9.0744 6.9502 7.9400 5.5770 11.2596 6.3690 7.3033 6.0951 8.8897 10.8817 7.0405 6.7165 11.0411 6.9411 6.1700 37.1133 9.7470 9.8860 6.6217 6.2057 7.4909 7.4320 10.5628 9.3487 9.7929 10.5052 15.4338 4.7399 6.8578 6.2345 6.8636 9.8024 9.2557 9.4001 10.2211 8.6314 8.0061 8.1761 7.4068 16.3261 57.7909 9.0537 8.7981 8.9402 11.0282 12.6741 7.8805 8.5677 8.2044 6.9702 16.5424 8.1987 9.4333 6.4622 7.3389 7.9544 5.9699 9.0638 14.0728 10.3180 9.9626 11.6564 9.7696 8.8274 8.5687 6.4287 8.0729 9.2332 9.1965 9.8872 7.3419 8.8720 23.0556 13.1401 5.9263 8.1072 8.3569 7.9976 8.1768 6.5968 12.7024 9.5019 10.3795 9.8663 15.8596 10.3776 9.2228 6.1436 7.9848 7.3278 11.0606 6.9282 12.9676 7.1074 9.1457 7.4202 7.9476 8.8413 8.8605 7.5329 11.3765 8.4578 24.2037 7.7674 8.2739 8.4179 12.5433 9.4286 12.9211 7.2207 6.2355 10.8318 7.3913 7.7433 7.4156 10.4778 9.1592 7.2227 8.4574 10.7310 7.6875 7.5992 9.5153 12.8248 9.4627 7.7167 15.9452 8.6950 6.2768 7.9322 7.5515 8.7074 7.5411 6.3337 8.2328 8.5937 12.6760 20.3548 6.3101 12.7742 8.0341 6.7025 8.4381 6.6364 10.3243 9.7080 13.5539 11.0413 10.5833 9.1354 10.3516 8.1504 12.8650 9.9629 6.4734 9.0381 8.6967 11.0038 8.2615 7.3820 12.9931 17.1635 11.2198 L-PFOS 10.1584 4.6204 8.5996 4.0841 24.4663 17.7556 14.2665 15.0901 15.8989 9.8039 8.3302 5.1410 3.3429 11.2484 6.6595 9.9595 9.4258 8.3436 5.0976 10.1592 12.9087 19.1515 1.4163 6.5197 9.4091 12.0542 7.7742 16.4216 6.0788 6.5937 17.6740 13.8925 14.8784 18.9498 4.0794 5.2622 18.7698 4.3828 3.8899 11.8923 8.6161 10.2589 9.7736 12.4918 7.0041 9.9533 15.5510 7.7077 4.7376 9.9839 9.8110 4.9576 5.0429 12.4955 12.9737 20.4679 10.1894 5.2580 8.6296 10.4102 4.1829 8.8352 4.1097 5.1301 5.7543 3.8142 5.4587 12.6230 8.1718 16.8637 9.6409 14.3127 23.1379 6.8280 5.6596 8.5660 9.2594 13.4489 9.1263 36.0594 13.1371 24.8250 10.5259 7.3193 8.5824 11.1262 13.5223 9.7487 15.7495 14.2256 6.2446 4.7684 9.9646 9.2183 9.9673 15.1580 6.5298 17.6550 6.8054 15.9410 8.0474 20.5847 17.6909 11.3172 4.3467 17.3602 6.3359 8.6463 11.1322 13.5853 16.3106 5.6818 14.0737 15.6634 10.0936 26.0822 5.3235 11.5737 10.1673 6.8348 9.5714 13.4200 8.4565 20.3981 17.0142 20.8483 8.1198 7.2459 25.0726 4.5338 9.7336 11.9750 4.8696 11.7355 7.7290 5.8501 23.1794 10.8790 7.3007 16.7305 2.6838 11.4903 15.6425 31.6838 5.9607 5.4886 7.9468 6.8132 5.1294 3.2670 10.8378 5.3802 11.2517 16.9589 16.6856 6.6538 6.3741 18.1940 8.9252 6.7942 6.2980 58.0080 4.8825 8.0437 7.1463 2.6221 10.4063 3.4143 10.1635 16.7861 9.6077 14.5056 22.3845 15.4333 11.5265 2.3918 3.7252 7.2261 11.2586 18.8492 8.0735 6.4280 13.8224 8.0560 8.9449 21.7469 7.3471 3.1380 8.6391 15.4232 11.6610 8.2243 5.3279 27.5954 10.5557 7.6570 8.9132 8.5894 11.5328 9.9855 4.4233 8.8688 11.1206 8.6649 18.8151 18.2432 9.6952 20.3498 16.7982 18.9253 7.9625 10.4786 10.0843 9.9887 16.8480 8.9716 7.9525 4.4053 13.9058 12.8034 7.0595 5.8522 9.9336 9.7512 16.1940 5.1443 11.3202 14.6510 12.7776 10.3238 39.2309 6.4870 9.7846 12.6012 14.6178 8.1496 9.8152 9.3374 12.5111 7.3974 8.8432 10.3724 6.5842 18.2918 10.1299 13.6302 24.4387 4.9875 2.8078 8.6935 9.6162 10.0927 1.9349 13.3656 16.7693 10.4867 7.5305 6.0502 20.4789 9.1078 8.8177 7.9041 9.8021 4.0823 mHPFLCA n=2 3113.9823 4426.7269 3717.6889 3266.6884 5650.7009 3596.0364 2561.0666 3302.2553 4231.4519 3738.2381 6200.4719 3702.5945 3713.4802 2726.6180 4477.4719 4393.3599 5265.3958 5507.6643 4838.8349 4591.8667 4442.4521 4177.5878 4342.2720 3455.3071 5127.8080 3343.4735 3271.7747 3481.7441 4023.8432 2811.8183 4287.3019 3937.2727 3279.6367 4677.4736 4222.1142 4450.2404 3270.2092 4758.8842 5048.4893 4299.0742 4054.8335 3186.6263 3656.9686 3785.1476 3984.6757 2840.9769 3150.1191 5036.1312 4367.4606 5942.4718 6322.3185 4737.0478 5074.4267 3547.6674 4106.0631 3291.0968 2396.0022 5219.0636 4603.8124 4973.6164 3245.2158 4131.3401 2643.2631 5107.1517 6302.6856 4621.7184 4979.1896 4140.3526 5040.1316 5649.4078 2930.5682 2405.9742 5643.8862 3323.6880 4805.2129 4884.9838 4629.0592 5606.1329 5594.6444 3365.7758 5486.3271 5694.6337 3725.0135 2436.5137 982.5858 4958.4366 691.2118 4600.0762 4592.2919 3931.4589 4020.0045 5175.6999 2950.1655 4170.8216 3635.5550 3789.1966 3580.1259 5396.7043 4616.3950 4982.5728 4399.9213 3550.8304 4457.8502 4121.1121 4838.3388 3445.3681 4855.4605 4593.9304 5750.0525 4369.6364 6093.9408 2623.6242 3788.6338 5191.5336 4401.3767 4082.8038 5388.0703 6159.5391 3465.1619 6585.3938 6857.5546 6065.4467 8156.7247 2566.3415 6534.5148 5544.0764 3491.4323 5873.9735 4848.2545 4141.8444 3893.9577 2140.2084 2813.3383 3443.7187 2123.1160 1962.4031 3023.5089 1581.7611 2738.7853 1975.3130 2581.9446 3556.9063 2081.9829 1014.0785 3295.9638 2889.5670 2951.1731 2318.6012 2250.6185 5086.8967 3853.4420 3351.8144 1702.9026 3670.5838 2323.7227 3054.4588 2763.6841 2580.8714 2613.1671 1381.2115 2436.1444 2268.8609 3595.5970 1889.0812 2874.6135 2938.4806 2571.7073 668.6963 2422.9021 3489.7585 3496.4679 2773.3443 1441.1064 2713.4017 2442.6519 4419.6282 2168.3536 2266.0749 2734.4107 3530.4253 3506.4131 1271.2949 2352.6064 4310.3689 9520.3527 3798.3915 2306.7715 8320.2216 3767.4048 4528.2875 2603.6155 3597.5025 10378.0116 10658.9098 6939.2488 7039.0395 4606.2627 1816.1851 4537.4334 9233.3103 4164.7592 7550.4077 8081.7023 7743.9466 8816.4895 2699.9568 1695.7336 5892.6593 2006.4492 1754.1619 8285.3807 8874.7861 7727.6696 2448.2576 8713.3525 2780.6112 12003.3857 3651.9658 4033.6086 3528.9137 9518.8052 3323.9475 3919.4319 6312.5449 2346.5030 4741.7209 2896.6325 99.1385 9008.4516 8311.8162 2023.5719 11208.5503 9675.4357 3399.5457 4056.9104 4660.0414 2982.9940 3275.1122 10157.2503 5672.2165 3949.2305 2160.9255 3034.1981 7276.4434 2575.2310 8563.0942 1711.0556 4376.8040 7327.1175 2384.1961 1905.3331 3572.4212 3163.5325 3285.0917 2071.8179 3024.9535 2631.6729 2199.7231 2692.3856 1944.6929 3082.9820 3423.3859 3066.1082 9995.4596 mHPFLCA n=4 189.7316 42.8033 1920.9533 1230.7639 513.0155 65.2368 574.3096 929.9241 220.0139 1269.1989 350.6236 104.9417 214.8642 52.2939 628.5577 949.5059 413.0040 228.4778 55.5055 663.7002 1542.5860 607.0111 144.9118 616.4254 70.5978 2308.6777 1554.4974 385.8008 378.1244 82.7538 969.1271 874.7875 261.1235 173.0538 1047.7520 355.2281 283.0973 2605.1704 1135.9569 2332.3065 1895.1820 465.7944 454.9797 916.6728 2121.7697 293.1748 705.2256 2900.1365 218.8587 447.4330 568.6403 269.2876 224.9706 2668.8813 385.5859 226.2312 264.0531 159.9259 253.6294 2011.4189 302.3685 421.9000 9.2037 2730.8360 371.2079 47.9840 28.9390 337.1877 17.2634 500.5139 255.5345 58.9459 2561.4272 4686.1668 18.4367 33.3224 131.2467 32.3400 303.3777 486.7154 56.2821 394.4401 295.3014 628.5392 8468.6904 92.3721 374.2373 104.7280 72.7046 200.6579 234.7399 327.7641 4452.1666 2328.0815 8771.0937 842.1251 829.6432 5545.9182 39.5104 649.2173 452.9740 528.5495 496.8888 757.4842 70.1066 72.3500 108.5695 191.0539 4445.2070 2133.3098 6693.4228 188.5133 1263.5144 67.7430 mHPFSO4_ii n=13 762.0195 828.9432 951.5933 816.0840 1273.8145 942.5422 982.2714 929.8373 1086.1314 1030.9746 1548.8310 969.5109 851.1401 931.3320 955.2505 981.2329 1424.0701 1280.2092 1306.0673 1282.5840 1088.5341 1213.4414 1244.3688 860.2043 1222.8019 973.4059 851.5774 857.6921 930.0258 831.6346 256.4047 1187.4659 930.6647 1313.5760 1259.9680 1263.8014 960.6011 1255.5888 1276.0948 1092.2344 1056.7541 897.1384 1053.4190 716.8613 787.8586 580.2868 1063.2927 1185.5999 1035.3719 1387.9972 1438.3416 1115.4597 1555.0350 1129.5023 242.5815 1313.8589 1438.4112 1172.3047 1183.3488 1102.6381 1220.7684 856.0235 970.1350 1031.9453 1524.2833 1470.0690 1607.1071 1125.7873 1091.6112 1742.1001 1064.7216 1306.6762 1233.2640 1387.9063 1221.2598 1051.6794 1491.5937 1373.5041 1060.7103 1072.4967 1223.3204 1294.2743 1130.3205 1025.8842 1506.4359 1029.1544 1049.5574 1034.3597 1299.7180 1076.5487 1304.1565 1364.4556 761.9416 1127.7998 1032.5078 1015.5791 911.9282 917.5480 1361.2632 765.4353 1219.7668 1108.1897 1071.1894 1094.0868 1171.7295 1110.6559 1245.7571 1220.3647 1047.2059 1155.5323 1219.8965 895.3562 966.4950 1455.9401 1843.1270 792.4681 970.2347 1049.3385 881.8362 1097.9003 1130.8267 1183.3362 1390.5598 786.7869 1312.5892 1099.1795 1071.8819 1073.6879 996.0903 793.0856 701.6983 467.1809 474.4349 772.4771 604.1977 516.3992 104.9437 354.3472 637.2631 439.4101 549.3956 376.0508 719.3508 878.9308 633.8732 634.3383 647.1906 894.5725 794.2614 1166.0728 835.8235 805.6990 471.3118 797.4171 753.7234 704.1037 563.9283 470.3952 572.2765 525.7917 479.4483 399.4822 666.4141 519.3971 409.1709 406.4447 460.9701 498.1088 457.8812 779.1881 1255.3642 589.5675 499.6103 543.3516 734.8233 824.6636 706.4315 842.7858 953.9492 742.6544 755.8882 614.4220 746.7308 858.5355 1476.8504 1251.2908 1208.1116 418.5616 1110.6516 1230.2069 807.7050 1056.4761 1121.7007 1124.3612 939.3635 654.2915 1290.0050 783.0238 1250.7894 768.1559 1347.0282 898.6548 925.5745 1026.1008 1068.2297 1085.7399 574.3376 2221.4229 736.8341 672.8218 797.9595 1005.7351 1030.6325 655.6412 1025.6675 678.1893 884.6301 725.1832 1529.8876 894.3320 1200.3058 895.6307 1010.5480 713.4033 912.7343 1289.6199 1206.2517 730.9375 1123.7505 882.9312 807.7253 1427.6088 1198.8446 664.0887 1119.4952 1409.8980 1156.5752 1391.3875 1173.2051 1448.8261 1169.6406 883.0146 655.2789 878.1653 1081.0973 859.7094 736.8209 1387.5565 785.9782 662.6888 700.2903 1040.4415 964.0965 1089.3812 907.3767 919.5339 1284.9046 827.4338 1398.7826 632.7982 1066.5725 1096.9701 1271.5617 1170.9207 mOPFLCA n=2 562.6289 1568.9214 422.5905 255.6356 804.3279 1056.4648 110.3736 370.1710 225.8074 639.1619 2616.6725 277.7853 9.0024 1167.1736 1940.4515 624.5358 1135.3999 17.4738 1916.4862 366.6250 664.2836 305.5305 56.1859 1025.7302 22.4210 1803.4935 688.6773 519.5617 626.4411 332.1982 907.9546 216.0421 1106.7697 1514.3391 1482.5163 686.8696 82.2408 2580.5497 1349.5992 637.0712 35.2319 323.1421 904.0885 265.3402 326.0811 503.4253 572.3413 1057.7984 1084.9059 1568.0461 2680.7367 1191.8681 1805.0202 518.4811 2609.5876 1292.9846 1527.2411 295.2390 968.2656 534.9535 322.9390 441.9819 806.8530 842.3616 954.3659 363.9837 319.3862 102.2125 1801.4514 421.3624 635.8008 1091.0794 331.8682 1167.8777 274.6583 489.1869 428.4192 309.5309 723.6031 822.6382 1472.2254 775.1656 617.2224 1930.0727 286.8067 1939.6696 1067.0049 1919.6407 2865.4390 250.3442 1068.3601 1280.9427 808.5453 1055.2510 518.2721 1636.8847 120.1462 1358.0417 623.9078 788.9103 316.3219 1582.7512 1387.7092 145.9117 2078.1481 265.1785 716.1045 287.8560 984.7588 167.9438 189.6281 1559.2883 1633.9121 330.4559 1623.5599 717.8887 538.6790 380.7821 1181.7702 411.3917 1610.1351 1833.1972 1561.3049 646.2671 644.5825 24.3264 202.6976 200.3948 918.1563 1258.6297 281.3486 212.5359 183.9733 334.1821 967.2932 556.7954 629.8470 854.9666 627.6751 165.8262 722.6603 163.9887 510.0420 345.8624 19.1562 1223.1861 334.5317 1886.4449 236.2626 1643.5331 510.5934 1097.5119 309.9707 15.6251 76.0725 1060.9582 302.4380 599.7445 281.3049 1171.1857 1396.6852 369.2595 174.1824 261.0480 200.1157 85.3874 334.0443 1731.8140 280.7741 1472.4418 309.5634 729.0540 269.4232 1494.9302 66.6259 2213.1479 983.2426 1165.5049 1687.1883 615.2920 657.1220 323.7058 846.9449 865.7767 513.6032 448.5983 751.3941 96.8831 650.3403 816.9155 1429.5274 850.2590 714.9474 564.9229 240.2372 1118.5916 1519.5315 885.5659 154.0036 512.5366 530.9456 970.3013 402.2236 601.3536 926.8756 1093.7658 48.9819 497.0505 1655.4296 511.5281 1143.2225 629.8010 380.8312 364.6629 687.3201 384.5202 312.5201 1081.7661 85.4494 1103.7175 535.2448 1158.5421 680.8584 1492.5626 47.1741 630.8217 135.5100 29.8771 1276.9615 856.8817 441.7036 447.6381 433.0006 722.7439 1663.1762 803.4975 728.0292 1124.4892 1143.4090 822.0594 282.1086 1165.1413 359.2177 171.7591 640.7800 220.1977 1175.0194 926.1829 185.1582 1312.2702 608.3658 85.4603 96.2848 747.8400 887.3549 1031.9387 428.2967 833.9212 431.4180 1057.0189 n:1 FTSAs n=7 540.1841 506.4371 706.0538 531.1300 911.2253 517.2274 727.1277 624.0504 732.6080 667.8588 1152.8034 615.6431 442.2522 654.8028 655.9373 819.1880 1002.1046 863.1127 855.8392 897.2085 815.8938 694.2656 739.6539 477.7392 869.0644 676.4541 512.7097 411.9349 551.9507 556.0648 139.1996 605.3120 631.1994 962.1021 894.5648 845.2972 615.2099 705.2840 807.3757 638.6617 506.3168 623.1874 562.7602 437.8405 455.2631 418.0938 880.9481 851.8598 655.8028 988.2514 908.5919 727.5406 1097.5269 707.8974 205.8925 984.9529 1013.6420 880.2806 805.5068 603.5004 999.1095 508.7951 758.2900 719.1595 770.0839 895.6348 1141.7864 748.4238 584.4009 1052.2678 498.0003 684.7421 720.6858 931.0916 954.1295 677.6107 991.8625 985.1021 707.1366 826.6595 767.9828 781.1039 637.3216 710.3755 804.0793 715.7710 709.4688 644.2573 956.4258 724.0565 887.1263 839.8047 732.2768 747.4015 632.1899 667.0090 644.5406 659.8456 1014.1041 499.2021 674.4271 513.8755 580.9151 712.7600 665.8781 749.7007 796.4420 892.2240 677.2267 683.7405 831.1447 517.9499 620.6930 1025.0309 1152.1644 449.2544 649.0838 775.2924 681.1131 637.3023 630.3664 648.8475 881.9185 442.5812 742.4213 711.7973 492.2554 671.5101 752.5555 491.4241 404.8597 322.4933 314.7238 652.0503 426.9156 335.0071 116.9174 278.4242 394.0193 285.5349 340.3696 305.6208 563.0245 656.1446 450.6575 481.1593 521.0573 755.9705 569.9786 938.3596 696.4875 515.8956 373.6470 510.6276 581.3256 566.3492 400.2609 383.1980 359.4482 346.9816 364.1681 123.1192 429.7860 369.3989 311.0803 325.5426 313.7806 447.4231 351.3811 580.3258 880.4834 411.0686 370.3275 455.1769 582.5536 578.4712 417.1469 592.3593 628.8157 525.9344 557.4368 462.1752 585.9450 668.3505 822.8694 860.1244 793.3182 178.3357 753.5782 785.4595 743.8422 661.3576 753.0689 1019.0519 559.5377 540.2515 806.8924 524.8715 659.6182 749.3485 849.9942 656.2962 870.7215 632.0332 692.7980 597.2028 447.0235 1229.0905 550.8225 481.6840 451.4312 608.5915 750.6181 523.8130 589.8010 471.9531 498.8170 511.6916 1047.2874 536.1396 686.1260 601.6530 733.0949 487.1595 612.3668 670.1614 756.0694 557.4237 712.1143 547.0412 650.4555 756.8445 765.8334 467.6058 682.6140 736.4978 730.3892 829.8168 556.8694 785.7897 691.2971 640.7546 600.1922 497.3835 699.5022 599.7985 516.9986 846.3548 540.1507 508.3942 445.1761 630.6991 592.0789 735.8338 569.8391 615.1976 561.0924 630.2483 589.2189 405.1023 754.7130 647.7122 740.6743 836.5939 n:2 FTOHs n=2 1647.7939 2267.1109 2432.4405 1600.9230 3091.6991 2267.2495 2209.1521 2006.0747 2995.8638 1946.1127 3158.3465 2174.0010 2290.6351 2484.2492 2819.8641 2741.7178 2926.9997 3161.2354 2750.9670 2192.0175 2770.6298 2216.3154 2317.1683 2008.6384 2925.9592 2259.6597 2191.7153 2192.0197 2420.6831 1724.8386 2184.6178 2566.4428 1928.8570 2865.2671 2411.0451 2556.0360 2230.0813 3442.6619 2962.2763 2697.9122 3287.3049 2383.5906 2172.3921 1957.4320 2388.6922 1887.6387 2474.3717 2734.3055 2279.5877 3413.3331 3538.6690 2739.6095 4078.8057 2371.8958 2170.8542 2904.5256 2966.0037 2607.5658 1986.1876 2471.5226 2489.1421 2313.8182 1905.6037 2263.2263 3519.5387 2355.8913 2200.5696 2586.6608 2750.7441 3591.5104 2728.6503 3185.4533 2851.6046 2529.5074 2926.3473 2356.1683 3556.5672 3041.9392 2793.1330 2094.0630 2367.3051 2702.4192 2528.6289 2037.1570 3642.4704 2652.1361 2566.0643 2438.2685 3138.8557 2408.5893 2888.9307 2845.2133 2359.9008 2929.4165 2631.3681 2390.0758 2632.0899 2306.8335 3633.9913 2656.7439 2850.0976 3386.0250 2860.4623 2468.5707 2874.7445 2590.0187 3083.0162 2879.8407 3330.2105 2639.0980 2556.1870 2322.2064 2000.6279 3674.6998 4306.6549 2212.1574 2954.6304 3338.4630 2633.6112 3511.4571 3126.8835 3050.1296 3673.5194 2391.0874 2737.4525 2447.9450 2831.5290 2789.0370 2450.0023 2117.6901 2185.7098 1675.0207 1426.3600 1918.7193 1554.4933 1714.7340 1997.4071 1941.7869 2515.0662 1873.8348 2542.7052 1986.5160 2004.0613 2242.8784 2130.8282 1691.6084 1775.9829 2711.3142 2339.2199 2753.3000 2212.7141 1841.9277 1722.8974 2039.4673 1789.2990 1911.4911 1671.9048 1583.1285 1342.4260 1832.5873 1410.0749 1500.1409 2359.1961 1730.4828 1579.5267 1751.1887 1683.3547 1768.0840 1480.0358 2140.8562 2484.9701 1775.2991 1552.8130 1626.8924 2017.0733 2847.0183 1655.3626 2563.7342 2602.4634 2322.6471 2286.1769 2122.9566 2106.0211 2874.2111 2092.1833 3160.8109 2571.0213 2051.4825 2983.9105 2715.8033 2939.8867 2403.7289 2743.1827 3896.5312 2103.4119 2230.6447 2257.4330 2227.3432 2675.0444 2694.7495 2759.8473 2315.6548 2192.8832 2195.6118 2985.1600 2202.9834 2069.2851 6434.7644 2706.5059 2121.3519 3037.8148 3696.1082 2322.9745 2414.2637 2902.3884 2222.2806 2074.9072 2734.8201 4813.7021 2254.7526 2855.1313 2750.3290 2946.6294 1217.6424 2299.9297 2433.0528 3227.0030 2067.4159 2483.8638 2466.6194 1868.6852 2345.8656 2469.1951 1415.1046 2407.8265 3310.9267 2829.3758 3242.4766 3187.3219 2647.5783 2814.1274 2241.1958 2365.0406 2123.5573 2297.0733 2442.8746 1618.4292 3076.7876 2151.9655 2101.4017 2011.5278 1896.8409 2203.8126 3600.1494 2088.6622 2105.5896 2512.9856 2207.4434 2236.0182 2292.5109 3245.3800 2146.8287 3052.7939 2754.3952 n:2 FTSAs n=10 204.6226 300.7516 302.8058 313.4096 485.5530 317.0777 267.9551 327.0319 420.8798 372.1516 190.1228 184.8043 313.3511 58.6554 369.7803 386.0166 482.7957 488.5591 332.7341 478.7959 134.0370 342.6687 394.9456 318.1601 428.1659 331.9797 284.8116 274.4191 385.0462 308.7004 134.9649 390.0921 311.2321 418.4660 270.4021 443.4667 327.7872 415.3619 522.3977 429.0618 391.7723 290.3957 129.0473 231.3041 158.1009 219.0077 416.0059 415.4169 199.5460 172.6741 188.1333 267.7252 485.2671 397.3860 108.3559 290.2196 526.8916 293.8806 423.4966 277.4716 460.0198 126.2377 294.3530 369.0859 459.6052 358.2893 431.0187 348.6508 198.8967 585.3868 262.4664 381.5913 335.1559 475.8801 247.8002 376.3916 463.7627 161.4004 390.1415 327.2442 281.0436 363.1780 359.8174 383.6461 511.1579 161.2384 394.9032 295.7022 494.2669 345.9124 259.5483 565.6737 299.5829 201.2742 327.1366 163.4507 120.7284 143.5288 461.5246 334.3229 443.6941 471.3140 417.9381 349.7233 231.8032 259.2998 172.4153 435.0445 369.6339 267.4901 425.6186 373.3219 189.3746 268.6722 645.0654 114.4205 159.6121 366.2756 295.1906 410.2045 277.8537 357.3307 490.1215 277.1727 228.4823 377.9536 420.1055 382.6055 171.1337 273.3625 191.0823 210.5925 178.4331 85.2061 184.2018 160.7711 23.3936 144.1685 208.3338 135.4135 138.4448 72.1180 239.9328 303.6764 243.9152 125.8251 171.1907 290.3484 275.1604 190.5628 210.9301 246.3387 112.8197 280.0200 160.3037 50.1679 110.0935 182.0524 146.6512 122.6100 158.5149 137.0087 147.5890 109.1251 157.6664 87.1875 113.3498 99.9272 117.3821 135.7698 266.6534 119.8042 179.2787 179.2831 292.8642 177.8072 78.3352 308.7724 319.5077 93.0145 274.6060 243.1277 284.9446 217.3825 416.5877 182.9070 268.9057 185.1607 373.0557 368.0858 321.2433 327.6854 479.5439 480.5841 254.7700 255.7305 375.9597 157.4546 344.3447 311.5874 323.4125 251.4941 289.2160 242.8814 287.4115 296.6737 164.6213 281.2853 182.3444 149.6144 160.8667 338.0294 338.7071 327.1533 37.8866 210.1195 277.6508 240.3241 260.2682 321.2406 342.2518 74.6482 362.9954 154.0387 150.8667 318.2866 230.9353 205.3076 345.2649 121.6508 186.6429 472.1866 246.1654 288.9085 364.8529 431.8736 201.2424 483.7793 271.3605 390.6788 233.2646 293.5140 260.7053 188.1146 302.0591 331.0779 34.7527 251.4994 184.4571 115.7564 133.9904 347.0622 282.6119 271.0039 230.2717 229.1171 345.2573 202.2759 319.0359 240.9393 457.0308 354.0476 341.8117 346.8767 n:2 FTSAs n=6 303.4315 492.7777 665.5096 400.2963 490.6961 670.2100 795.1344 639.4607 916.1786 452.2675 882.9078 576.6379 552.8962 742.2814 789.1567 591.4789 884.6650 767.4482 467.6612 535.4729 856.7951 623.5973 463.2180 431.7191 859.9158 749.7652 509.7596 489.3019 617.1141 385.3541 202.6759 623.6693 412.7213 927.2288 934.0085 779.4629 664.5707 654.0288 661.2973 665.0001 751.5816 794.1280 667.4281 485.1808 586.9007 415.9369 527.6479 732.2203 586.8686 1321.3118 1062.5639 812.6078 959.9031 742.2766 243.9026 725.6077 672.7773 527.1169 596.9199 778.2940 596.3429 406.7883 636.6561 467.4588 1038.1799 529.9740 492.7668 659.3150 660.8204 942.1789 795.4640 1114.4909 605.5780 577.5848 622.1186 508.1794 852.3510 922.9359 674.1122 608.5857 818.9603 818.8895 917.0984 633.7858 915.5003 591.3241 696.4400 847.5619 724.1252 692.6121 930.7458 622.5548 664.2155 769.1788 800.3803 652.2178 941.2545 389.9368 915.4759 427.6336 895.2553 837.7025 826.0765 666.6777 614.5827 879.7900 933.7178 924.5400 740.0998 632.2423 623.3760 602.2958 524.8848 1070.1395 1087.0503 697.2502 813.2354 788.6710 622.0813 860.0640 739.0742 876.0340 941.9104 633.3000 795.2138 702.6730 631.9898 799.3413 787.1212 599.9656 384.0707 356.1488 238.9352 371.7483 377.6499 450.0404 68.7180 260.4089 460.7740 378.3239 388.7237 276.0222 516.0106 721.1181 553.3260 365.2726 412.0952 582.2096 637.3445 703.1260 422.1549 531.2634 377.9112 464.9016 454.2039 461.5954 448.9873 256.6887 321.8302 404.3153 369.6702 338.2574 493.9155 321.9757 208.2030 280.7325 363.3569 301.2640 335.1518 624.4494 901.0464 500.1040 398.4179 363.1848 344.7368 747.7196 470.6132 526.6717 701.8633 581.5017 774.0694 540.4537 660.3208 631.9379 463.2674 679.8167 583.1885 34.2635 678.0799 798.0768 679.2913 679.8751 656.0548 958.9865 397.8829 576.8514 571.0132 594.3883 543.9808 389.0813 686.3012 526.0175 729.2119 348.5543 884.4884 390.4270 518.7242 1530.4457 501.2305 546.7329 811.3794 723.7269 467.0845 499.4877 826.9640 510.5312 391.8696 563.3030 1205.8488 373.8603 715.1032 822.8346 676.5437 241.2993 595.2890 727.3541 719.7764 600.6591 669.7295 495.0661 675.3067 621.3698 818.7846 268.1517 598.3379 872.7335 837.2785 916.2552 583.0182 680.7898 613.4203 675.6949 536.3053 503.7005 569.1088 457.5249 604.1262 850.8903 566.2611 658.7649 598.9749 324.5877 560.5447 721.2050 696.5162 684.3186 519.6067 500.9025 672.6668 493.4291 742.0046 247.6477 854.3942 779.7616 n:2 FTSO2PAs n=4 245.3399 272.5169 307.6064 283.5739 383.7187 295.3838 434.7267 386.3772 372.5343 324.6912 513.6424 280.9216 263.9008 262.4101 356.0476 346.2752 515.9901 456.7037 425.9878 406.2445 435.4673 408.3635 370.8579 239.5816 449.8741 477.1534 192.4361 190.1216 270.0322 254.3920 180.3652 335.3808 259.8802 553.6170 515.6955 464.9984 413.2690 344.3005 299.8211 368.2420 342.3179 319.2466 318.7150 212.2317 238.9714 157.6426 243.0496 376.9315 302.9996 620.7916 435.2051 474.6786 468.6978 373.4602 171.1926 432.9019 378.7300 350.2027 439.4540 325.1231 381.7921 349.7199 473.7343 289.3059 506.9844 387.1734 439.5271 313.0253 301.8295 542.6420 303.7608 509.5294 272.2317 377.6369 331.5868 254.5334 497.4773 574.8390 352.9559 416.9540 345.6339 375.9252 362.1929 283.3453 376.3465 308.3708 280.7479 420.2318 396.0976 325.4841 500.7846 398.1749 228.2816 362.9577 251.7834 226.3184 321.1883 273.8139 464.7604 300.4432 396.5422 412.0507 291.6696 394.7492 359.6777 391.0992 411.1589 384.4238 366.4920 355.5576 443.7860 297.9357 360.3288 567.6304 536.0291 366.2886 319.7115 291.8184 287.0811 332.4630 265.1215 340.8233 398.1968 211.2186 310.7230 376.8566 340.5535 325.8127 405.4727 242.2465 205.2709 144.6791 126.8075 277.5307 245.0093 196.2385 48.1228 118.2275 232.4028 185.4785 161.9518 158.4899 227.9408 346.9041 231.1807 211.0846 246.7760 259.0275 299.1354 342.7397 231.4798 322.0506 170.4537 222.3596 263.9443 217.6814 170.5433 142.4569 245.8832 149.9370 187.7504 165.3118 210.6636 153.8648 106.8474 136.0429 148.6240 219.2086 143.8495 303.6536 531.2469 249.6398 152.0809 134.3577 224.8049 296.2048 299.0213 282.1598 294.5144 235.5803 277.4057 176.2278 336.3945 253.5148 461.0511 626.8232 373.9329 43.1559 372.5218 432.9849 313.6115 276.4311 374.4856 417.4894 227.7064 296.9758 440.1475 283.6136 259.0831 252.5901 373.3823 235.3631 558.9254 266.3463 565.9426 317.5136 185.5871 645.1358 123.4977 325.2410 147.1911 356.4051 358.1902 230.3572 203.7834 189.2993 224.4459 250.7461 454.5838 254.4279 412.4456 386.5950 267.8424 205.3090 195.1521 416.6897 320.9797 334.1179 169.0324 204.3116 365.4229 424.4513 488.8103 161.4045 302.4383 483.8522 404.7551 333.2007 261.9459 423.8145 364.2300 342.9618 265.1664 269.2481 277.2153 356.8033 341.2372 503.0265 262.6598 250.2542 216.0934 288.5752 197.3656 206.1942 351.2385 331.5689 252.7220 288.9918 416.7951 158.9439 277.2191 294.3805 326.7809 393.5440 n:2 FTSPrAs n=2 13895.8747 13514.0934 15170.3574 10088.9015 24472.4074 13344.7331 13608.6089 13605.1930 20076.0030 12706.6377 22838.5999 12691.4354 15875.4432 13540.8157 12846.5748 16491.5768 16909.3773 17083.5311 17674.3119 15635.9812 15896.1964 12511.4311 15257.3712 13478.2540 35034.5167 13248.1507 12891.7391 11622.0480 14210.6821 12281.1767 1164.0611 13164.4211 10796.3975 52939.8517 18964.2482 14495.0469 30282.7054 20926.6081 45511.7672 16312.1845 17691.7995 13709.6766 40036.3278 11689.5042 12778.6319 7536.9615 15578.6864 14803.4499 13273.6131 18192.5198 18589.3315 15066.6234 54570.4955 38234.6999 357.2867 15342.7540 19339.5724 14291.5262 14384.4026 10554.8444 11201.8282 12738.8446 12628.4700 17033.2597 15122.6461 16136.4605 18005.1306 17951.5238 13918.2331 18694.4138 17765.7684 43787.5193 33820.1177 28773.0363 50334.8027 12031.8180 19972.5771 43053.3112 18495.2085 14833.6839 12825.7783 14013.3421 34462.8761 15765.2463 20847.4431 15661.6807 13319.1283 16102.2048 17949.7409 15088.0587 15303.1044 48892.0978 12508.0170 15209.7036 19051.3408 12278.6063 12840.6578 15141.1365 15689.4769 14724.0044 14686.7742 17688.2803 15569.1488 14567.2347 19872.6359 42770.0469 17092.1686 16491.0843 23371.2000 13547.3711 18681.6458 9018.8585 11978.5279 18297.5169 20565.0454 12902.7545 13605.8220 19251.1425 12620.2550 18107.6591 15781.4367 17252.5261 24461.6762 37895.0609 17315.0785 12150.7116 20772.4619 49491.9367 13641.8795 12823.2883 9384.9965 7689.3685 21586.8933 7004.8645 4475.5066 6295.1148 892.3452 5552.7370 7726.1533 4939.2540 11387.6892 5705.4432 10008.4171 11435.2311 14280.8723 7602.5298 8174.3638 10213.3863 10320.9673 14722.0982 24923.6238 10380.6230 8931.2505 11794.3811 8778.3294 9236.9474 7154.8878 7931.3954 7416.8870 6881.7475 6311.7748 5292.8068 9969.6463 6653.9958 6277.9678 6238.7265 5848.2296 6352.6883 6627.0292 8053.5861 13906.0899 6176.0162 8386.0362 7976.0932 12258.4949 11049.0879 11224.6934 12998.0312 11312.9195 10933.7776 10046.0035 9513.8133 9650.5310 11896.6438 11775.5300 25451.7679 8433.6578 333.4339 24351.1330 21288.0674 12224.9949 20163.9556 9583.8883 23100.3579 6505.7699 18470.6740 13999.0272 13020.4980 8790.9856 12561.4314 8543.8651 8486.7520 18235.0562 8659.0910 23402.3799 13996.8216 23475.9813 23025.8859 9601.1644 15960.0585 11751.4420 27974.5860 20384.0896 27805.8077 31535.3983 6066.6517 17478.6605 20260.4363 14975.8083 8752.4032 27604.0721 8279.7740 23272.1098 12269.5965 11959.3587 6594.3164 29664.3374 6144.1875 27470.5297 18821.3061 18247.3736 12926.4182 10421.3106 13794.9278 10967.5624 35478.6798 30347.4726 10728.9775 14420.6176 11354.1786 25605.3652 20982.9598 19126.9250 7265.9064 11327.6649 19992.3929 8029.5652 21712.3352 6745.3873 14107.1299 15109.4738 7249.9695 19788.1613 13356.9203 19335.3531 16578.3716 22103.0242 19225.3733 7054.5430 4985.6102 10565.8985 7099.4913 6980.0916 8666.9624 OPFLCA_i n=4 1232.6059 1228.1410 1436.4188 1303.9763 2038.8610 1371.3084 1699.0914 1646.9096 1706.2439 1406.7855 2303.5668 1239.3732 1256.0735 1190.6600 1363.2676 1444.6347 2119.9402 1974.6748 1923.1904 2031.1411 1803.1861 1736.3191 1606.0561 1275.5564 1961.8460 1655.5059 1189.6868 1062.2432 1358.3418 1337.6677 449.7882 1447.3343 1415.3226 2381.2474 2386.7283 2336.1355 1390.7709 1625.2223 1914.9608 1661.4825 1599.3433 1527.7801 1575.0587 980.5011 982.7345 911.1072 1737.9895 1855.7061 1462.6055 2408.1411 1807.9674 1851.6785 1981.9179 1752.9027 473.5409 2110.5799 2032.1861 1858.7494 1846.7404 1543.6001 2210.9479 1351.2759 1979.0759 1631.6876 1990.6444 1892.6009 2202.3304 1689.5917 1593.8741 2375.1944 1588.1004 1832.8381 1563.4684 2028.6220 1991.0541 1433.3916 2175.6798 2100.5530 1668.8264 1850.6917 2081.5241 1692.4342 1558.6773 1630.0202 2436.0202 1376.9963 1377.7090 1663.3164 1826.7831 1590.6058 2151.2836 1743.5439 1318.4792 1544.2668 1492.5114 1408.4445 1577.6111 1562.9425 2145.7273 1206.9346 1725.8901 1667.8374 1463.1533 1528.3614 1742.2545 1593.6440 1671.3234 1710.5492 1936.2310 1599.5689 1657.1678 1180.6681 1941.2235 2295.0784 2763.7990 1263.4984 1391.5388 1637.9051 1233.5264 1677.3309 1607.0202 1608.1601 1887.9868 1271.3153 1741.3067 1842.8186 1564.1894 1609.0412 1592.7042 1214.8965 1012.2989 769.3672 735.4338 1396.1317 1159.4437 1012.1081 268.1292 717.9664 1050.8855 914.5853 906.2209 892.0025 1105.1429 1581.5776 1140.0382 1136.2775 1179.4847 1595.3447 1517.2112 1953.6084 1406.4817 1312.1014 976.4485 1149.6801 1327.3178 1293.5861 859.6620 818.6264 1045.8859 988.7536 981.6452 744.0263 1261.3522 899.0264 911.7512 756.7501 831.3421 1118.5724 901.9877 1368.8202 2334.1938 1174.9732 980.4663 955.6118 1198.3425 1626.8688 1230.5561 1522.7792 1607.8475 1285.5122 1612.0247 983.1715 1601.9253 1487.0326 2113.3457 2218.9496 1933.9738 489.1218 1546.5099 2025.7374 1900.4855 1273.7422 1970.6771 2654.0929 1015.3305 1529.2872 1888.5733 1430.2781 1501.1738 1226.0382 1831.6104 1258.3048 2103.8306 1438.8008 1777.9977 1723.4172 1030.0558 2905.4890 1014.4096 1281.8903 966.8424 1475.7248 1565.8961 1255.5553 1738.2502 1061.3018 1192.1094 1017.3539 2094.3565 1310.0591 1496.2133 1609.6225 1467.9421 1064.4457 1250.7488 1883.3884 1562.4827 1533.7418 1219.0673 1249.0364 1764.5579 1966.1984 2181.2012 997.6226 1580.9549 1847.4022 1543.5064 1711.4899 1459.9604 1792.7413 1311.8657 1616.1748 1312.9732 1637.8836 1476.0973 1252.4440 1624.6795 2362.2662 1337.5605 1256.3012 1429.5744 1766.3167 1575.5201 1626.2034 1788.8504 1500.5613 1714.6132 1535.1003 2369.5409 1009.0962 1737.9156 1508.3936 1606.1238 1903.1732 PFAABs n=7_pos 60.6163 48.1413 68.3142 52.0632 112.2451 50.7239 65.8040 81.9674 76.7775 66.0653 56.5982 32.5804 49.8927 60.8701 44.5749 58.4426 54.9820 73.8902 74.5678 77.9800 70.8676 72.6849 58.3910 56.4806 60.9916 56.7249 49.8570 43.7183 61.4220 39.2091 23.7064 54.1374 61.8112 96.3053 79.3446 74.0655 61.8578 62.4875 55.0590 79.3401 56.7672 48.7208 54.0868 51.8542 33.8367 20.6254 66.9939 65.0517 74.8580 108.8354 64.9431 72.7387 68.1211 62.4870 25.4579 87.2246 90.1669 91.6571 91.6463 85.9238 89.2211 91.7269 92.3983 102.3328 61.0386 60.1014 102.3033 94.5557 85.8117 124.4700 76.9343 95.1794 65.3953 71.0948 95.5575 76.8202 130.7908 56.9559 76.3712 84.8742 68.8880 66.9251 59.4832 116.3427 113.5888 88.1826 51.2324 83.3385 64.1548 100.1609 105.0160 62.5268 46.4702 71.3257 67.6864 59.7232 57.9013 76.4004 66.9075 63.8112 54.4101 47.2850 60.4069 88.9757 64.8173 64.5579 58.6010 79.0350 67.3105 80.1614 98.9546 56.1118 108.3454 110.7921 121.7988 72.5849 45.1779 58.0152 58.5139 86.9643 62.1027 70.8666 90.5556 47.5234 84.8339 97.3956 51.5271 73.9581 78.8471 61.2924 49.0303 27.4141 40.4838 35.9023 48.8783 33.7273 10.8043 22.1518 27.0818 29.0464 17.9073 26.3333 35.8911 46.7530 39.3471 29.6094 40.4087 65.0431 70.5787 75.3226 36.8411 36.7829 33.2076 60.2638 46.0436 37.2091 29.3647 36.2213 51.6138 33.5857 34.4380 25.0301 39.9394 29.4940 29.5063 27.0114 31.2864 45.9808 32.7591 62.1850 80.1403 42.4343 38.8437 28.6739 61.5074 41.1604 43.3298 68.1292 52.4401 46.7329 32.5848 42.1913 45.5709 43.4300 220.3783 184.9891 160.8495 33.6082 102.4095 100.6574 54.5238 150.6550 98.1950 79.2804 86.9144 197.9628 48.8573 55.2799 156.6671 141.7997 97.6188 65.9588 56.1269 132.0203 114.0953 38.7694 19.1843 71.3557 49.7902 112.4428 109.7620 22.6642 35.3175 124.9433 32.0579 109.6067 51.3841 94.7326 105.5294 74.1464 102.0951 48.5994 16.5530 129.9569 84.7381 115.1420 22.8830 35.4817 45.9468 26.2945 52.6677 46.0669 56.5173 95.9622 33.0585 19.7781 144.4927 28.8218 58.9843 102.9730 71.7510 119.4654 40.4537 63.5673 42.4301 76.4614 27.6590 75.3350 59.0174 30.3113 107.8382 122.6611 22.4145 41.8831 PFAmCACEs n=10 231.8651 477.9969 423.8119 272.9656 514.8418 504.9363 536.2314 501.0352 626.9465 507.7735 928.3218 540.1142 440.2089 491.9753 512.5128 606.0736 721.8757 804.4477 697.2638 773.7789 629.5264 583.5095 670.1693 305.3711 676.8893 545.2500 474.8453 429.6558 368.1015 441.4339 172.4483 613.5078 510.6093 733.3312 544.2122 783.2668 436.0267 685.2114 697.9913 640.1877 429.0048 478.4476 607.0337 420.7771 310.7918 306.4784 210.8295 668.6568 543.4165 727.8167 397.9659 608.3434 728.1603 445.4948 157.9694 336.1943 856.4817 391.8629 699.2421 574.9566 336.1455 272.4206 570.3988 564.9908 714.4198 362.7842 941.8397 308.9729 508.6550 890.3246 401.8529 636.5210 334.4641 897.2621 773.7318 383.3450 422.6377 270.1904 598.3635 323.9683 657.6712 749.3950 551.0788 622.1625 801.1039 87.7063 566.2967 266.7208 736.1835 634.3345 712.4150 746.5877 468.8706 652.5064 490.2897 581.8875 535.2881 594.3771 446.5664 435.3604 611.2297 666.9980 518.7093 528.1050 625.6668 584.4279 358.8978 725.6562 647.4806 629.8227 661.0261 527.6093 609.1367 749.3843 1080.5600 364.0508 566.0113 614.1214 451.8833 613.9679 484.3250 686.5837 856.0732 452.2673 676.6259 596.4188 673.9629 592.3102 541.9150 438.2305 380.4713 311.9034 185.7042 456.8311 312.7299 50.8736 47.0004 219.1376 256.7568 237.0585 291.1297 249.8222 394.5402 455.5420 439.4672 357.4632 188.6559 322.9301 179.3545 642.2634 469.2038 433.9652 293.6997 463.3127 209.1105 139.8753 298.8361 302.4715 315.8374 319.8417 288.3067 222.1566 380.7030 281.9969 174.1534 227.1866 242.2252 331.5420 300.0390 385.8461 207.7717 184.9225 312.2161 289.0280 464.0208 517.4445 118.6590 521.2011 488.4193 154.2622 463.9181 376.0319 211.1081 264.7524 324.3931 623.7908 603.2039 218.5956 655.9747 669.0106 561.7066 484.6649 714.5726 695.8118 230.9531 389.9587 636.5753 435.3083 562.2785 516.8215 470.3468 481.1966 561.4885 395.3974 518.0945 534.8632 332.1400 1219.8999 388.6719 312.0607 386.3007 423.6110 560.2191 409.3284 556.2173 403.7467 248.6509 435.9351 877.9735 375.1788 701.6170 369.9772 507.3104 386.2092 451.5582 564.9360 506.6959 389.3541 471.3449 382.4873 415.9490 592.0218 590.6395 409.7192 528.9695 640.0246 527.9591 740.6264 478.3184 736.0971 415.2773 525.9948 367.6255 394.3420 547.3362 524.7771 405.4784 729.0787 395.5803 331.0361 363.3496 513.4247 493.8865 484.5918 429.4401 387.1069 591.2407 444.5231 636.0992 398.7293 628.0685 494.5817 569.1731 599.2581 PFAmCEs_i_ n=6 1129.0917 343.0612 511.8557 435.2118 1046.6998 622.7208 1613.9330 723.4241 942.5835 889.4727 496.2962 429.1629 249.1081 464.0843 480.0803 374.6411 935.6358 464.7956 587.7891 1027.8073 886.4827 1042.9873 1237.4993 420.5663 1066.5662 725.7351 879.7550 745.5746 624.3316 791.2540 968.8857 2109.8806 761.5928 884.8168 376.7903 451.9395 1298.6168 467.0492 376.6641 564.6275 724.2553 1244.5352 469.7041 822.1607 1878.4366 641.2719 1007.2770 1332.6851 402.7328 808.6628 719.7316 759.1838 360.7955 666.1350 1071.1121 1340.9951 537.5933 1258.4892 547.3319 1257.8802 321.2183 989.8026 454.4335 646.8023 441.7605 354.8912 570.9442 738.0691 776.4082 473.8934 591.2350 1604.7635 2530.6774 305.8497 761.5785 387.7483 853.2329 516.4352 1360.4553 1924.5397 1282.3720 1461.5774 822.0952 681.6356 845.0312 931.8916 1184.9966 589.5478 959.8400 793.2960 556.9395 594.3203 759.0456 540.2735 686.2307 435.9948 937.7433 924.2549 506.3163 968.6004 515.7302 822.6947 1701.0002 1358.6788 424.5850 1586.7378 541.3626 888.6203 1112.3530 766.2729 1310.2737 827.5973 1014.6664 1651.1787 642.5052 1282.5508 491.3068 640.6067 3323.4028 388.7608 635.3537 2221.6791 474.0913 1268.1668 962.8086 1305.0037 618.2509 1664.2901 12459.1639 386.6840 909.0322 632.9094 734.9440 779.0484 402.1564 1534.7005 1769.9818 1792.9501 717.3057 1214.6962 231.7714 1542.9859 941.0477 1832.2907 782.6183 364.9199 1577.2411 616.7679 293.0571 413.3240 576.0856 710.5708 452.3499 1830.0848 1187.1335 981.7197 699.1299 1355.2890 859.7965 580.4819 972.0849 2217.7240 285.5860 678.2175 1057.1373 350.6464 576.1697 954.2523 1138.2528 1645.2913 2423.7402 740.1928 1134.7206 1233.6891 447.3721 253.1735 350.1350 351.6634 1629.8466 969.2067 713.3624 481.5350 704.1721 896.5397 595.6606 2270.0535 1322.9394 341.2132 915.1453 766.7712 971.0492 725.3238 564.2445 1420.9975 1275.2133 1906.0582 966.2036 733.5496 735.2002 1036.1828 354.7787 554.8893 1240.5032 409.1652 1242.8179 1303.3324 339.9038 1570.1711 847.0592 779.4624 1658.3067 708.1921 2057.5967 725.9873 844.7593 682.3613 430.8428 324.0566 587.4154 415.4202 366.3984 1025.5631 944.7632 560.2632 860.3769 539.4861 803.3869 919.5853 890.0383 792.6352 3786.8798 649.9148 839.9155 806.0797 1071.7397 780.2782 806.6046 1186.2530 775.3439 414.5378 473.2804 968.1833 650.6562 900.2505 608.8686 1610.3860 1786.6493 431.7590 289.1426 383.2559 417.4683 415.9353 321.8516 936.9208 608.4801 754.7638 1047.9163 384.7712 919.3122 686.3639 803.4205 709.2984 487.6577 534.5331 PFDA 0.2352 0.1099 0.1761 0.0957 0.2170 0.1127 0.5590 0.3963 0.4139 0.1235 0.1085 0.6712 1.1957 1.2214 0.9866 0.9916 1.0650 1.3810 1.0796 1.2947 1.0425 1.3365 2.0806 1.6904 1.1996 1.3655 1.8424 2.0855 1.4455 1.7104 1.7690 0.9565 1.3143 1.1805 0.8357 1.6502 1.8171 1.4288 2.5248 1.9225 1.8163 1.7224 1.2978 1.6222 1.7617 2.1882 2.0906 1.4010 1.5476 1.8489 2.0255 1.6442 2.4791 1.9704 1.9110 2.1802 2.2040 1.8809 2.4985 2.1358 1.7069 2.1559 1.4255 2.1285 1.7044 2.3913 2.7090 1.8414 1.5215 1.9141 1.9198 1.8958 1.7427 2.8591 2.2818 2.6514 1.6968 1.9340 2.1734 2.6654 1.5542 2.0459 2.2564 2.2883 1.4952 2.2462 1.7726 2.5785 2.5700 2.0543 2.0588 2.3357 2.7039 2.3970 2.1423 2.6684 2.7590 3.0655 2.1759 2.3023 1.9366 1.8247 2.8646 2.8513 1.5646 2.1981 2.4893 1.8228 2.9502 2.6362 2.2573 2.6378 2.0943 2.2626 2.9997 2.7855 2.3088 1.7830 1.8857 1.8098 0.9808 0.8539 1.0251 0.9180 0.7916 1.4033 0.7318 1.1729 1.0001 1.1549 1.2577 1.2800 1.7502 1.1633 1.0115 1.4771 2.1366 2.0547 1.9915 1.9811 1.7755 1.5795 1.7485 1.4416 1.6576 1.0443 1.3761 1.0130 1.5301 1.0745 0.8434 1.6268 1.2978 0.9789 1.1229 0.7784 0.9906 0.9371 1.3233 1.8240 1.4044 1.0662 1.4863 2.0917 1.8349 1.0850 1.3002 1.5720 1.3303 1.1111 1.2942 1.0843 1.1725 1.2154 1.9875 2.1755 1.1050 1.8314 1.6347 2.2648 1.9760 1.8156 2.5889 1.4765 1.4494 1.8283 1.8130 2.1011 2.0861 2.3515 1.6741 1.9246 1.6018 1.9455 2.5177 1.6616 4.7083 1.6388 1.6076 1.4902 1.8719 2.0787 1.3694 2.4319 0.9838 1.2828 1.5061 3.3902 1.8732 1.7935 1.2805 1.6757 0.8934 2.0363 1.5806 2.3818 1.4981 2.1180 0.8915 1.3063 2.1057 1.9800 1.4537 1.6736 2.1423 2.0918 2.1335 1.8266 1.7592 1.8309 1.6903 1.1679 1.4039 1.2237 1.8046 1.2569 1.8293 1.4882 1.1739 1.3371 1.2358 1.0714 2.2901 0.7781 1.4902 1.1644 1.5646 1.5663 1.0906 2.1049 1.0520 1.5739 1.1783 PFDA adduct 0.3719 0.3004 0.3254 0.1866 0.5330 0.4383 0.6640 0.2869 0.5216 0.3701 0.3429 0.2789 0.1744 0.4508 0.3408 0.3775 0.6350 0.3491 0.1708 0.3023 0.4537 0.6099 0.2089 0.3133 0.3554 0.4259 0.4424 0.4426 0.3567 0.2364 0.4605 0.6180 0.4171 0.6006 0.4104 0.4717 0.6611 0.2551 0.3949 0.4598 0.3869 0.5487 0.4147 0.5868 1.1311 0.3693 0.4798 0.5513 0.3248 0.2271 0.4194 0.3979 0.2666 0.5262 0.8856 0.4486 0.4817 0.5639 0.4156 0.5786 0.3560 0.4117 0.2667 0.2574 0.2882 0.2974 0.3665 0.4488 0.4656 0.4186 0.3926 0.6969 0.8808 0.3378 0.3685 0.3193 0.3876 0.5535 0.7459 0.9340 0.4933 0.8262 0.4589 0.4749 0.3667 0.3218 0.5778 0.6206 0.7095 0.4922 0.4521 0.1561 0.3451 0.4437 0.4804 0.4084 0.5099 0.5757 0.4382 0.5702 0.4961 0.5045 0.3186 0.4353 0.3838 0.7481 0.2370 0.2963 0.4380 0.5608 0.5260 0.3657 0.6924 0.7541 0.3653 0.5140 0.2122 0.5406 0.7825 0.2153 0.4092 0.4629 0.3036 0.4863 0.5696 0.4183 0.4652 0.4072 6.5680 0.2752 0.3598 0.4293 0.2560 0.2882 0.2969 0.5542 0.6015 0.8302 0.3850 0.4425 0.1197 0.6573 0.5060 0.7616 0.2721 0.2512 0.5159 0.3444 0.3113 0.3857 0.4847 0.3832 0.3558 0.6234 0.7093 0.2860 0.3574 0.7796 0.4736 0.2468 0.6146 1.1945 0.4021 0.7937 0.5008 0.2842 0.6500 0.1723 0.4759 0.7712 0.7702 0.6221 0.6683 0.5303 0.5509 0.2455 0.4040 0.3361 0.5308 0.5663 0.3767 0.3151 0.4916 0.4353 0.3393 0.6673 0.2912 0.3811 0.4362 0.9782 0.3750 0.3716 0.4550 0.9972 0.5440 0.5168 0.4758 0.6559 0.5604 0.6906 0.3325 0.4136 0.8120 0.4403 0.6079 0.7951 0.3159 0.9249 0.4705 0.5421 0.3009 0.3377 0.9136 0.4549 0.4142 0.2614 0.2288 0.1875 0.4015 0.7664 0.3982 0.4193 0.3369 0.3931 0.4273 0.1673 0.5227 0.5247 0.3556 0.2506 1.3780 0.3738 0.5810 0.3908 0.5418 0.3497 0.3918 0.8063 0.6012 0.4250 0.3656 0.4642 0.2776 0.8073 0.3185 0.5853 1.2358 0.3358 0.3225 0.3391 0.5136 0.4186 0.1214 0.7234 0.5041 0.4628 0.5113 0.2931 0.4115 0.3387 0.3888 0.4181 0.6621 0.4005 PFHpS 0.2642 0.0764 0.1506 0.0873 0.5472 0.3591 0.2394 0.3221 0.3094 0.1811 0.1904 0.0858 0.0754 0.1543 0.1836 0.1950 0.2184 0.1350 0.2113 0.2295 0.2662 0.5747 0.0241 0.1666 0.3027 0.1932 0.2357 0.3031 0.1653 0.1762 0.5828 0.3655 0.4817 0.3588 0.0883 0.1008 0.3861 0.0942 0.0690 0.2510 0.1988 0.3182 0.2853 0.4216 0.1600 0.2302 0.4142 0.2723 0.1209 0.3728 0.1907 0.1356 0.0774 0.3407 0.2498 0.6357 0.2083 0.1280 0.1597 0.3255 0.0857 0.3508 0.1260 0.1406 0.1466 0.0883 0.1225 0.3608 0.3627 0.4112 0.2431 0.3724 0.6580 0.1555 0.1699 0.2232 0.2534 0.2520 0.2530 0.6718 0.2168 0.7824 0.2819 0.1492 0.2362 0.3218 0.4346 0.1295 0.2056 0.5685 0.1186 0.1765 0.3966 0.1645 0.2668 0.1859 0.2049 0.5849 0.1620 0.4138 0.1762 0.4257 0.3320 0.2376 0.0568 0.3001 0.1662 0.4039 0.3348 0.3451 0.3678 0.2291 0.2966 0.3799 0.2183 0.6057 0.1750 0.1631 0.3751 0.1386 0.1770 0.3905 0.1844 0.4160 0.3991 0.5045 0.1543 0.1827 0.4531 0.0995 0.2023 0.1663 0.1287 0.2744 0.1714 0.1394 0.9588 0.2110 0.1536 0.3880 0.1586 0.3222 0.4002 0.7407 0.1691 0.0980 0.2112 0.1803 0.1237 0.1475 0.1808 0.2704 0.3022 0.4409 0.3875 0.2680 0.2019 0.3735 0.3825 0.2443 0.1389 1.1196 0.1364 0.1104 0.1446 0.0452 0.1764 0.1834 0.2506 0.4480 0.2651 0.1489 0.6528 0.3290 0.2094 0.0577 0.0776 0.1621 0.3704 0.5204 0.1707 0.1227 0.2851 0.2320 0.2262 0.4361 0.3518 0.1044 0.2134 0.3278 0.3824 0.2002 0.1325 0.5380 0.3528 0.2023 0.2992 0.1671 0.1746 0.2554 0.1283 0.1583 0.3452 0.1307 0.4622 0.6913 0.1535 0.3673 0.3312 0.2975 0.2145 0.1294 0.2779 0.2429 0.4998 0.1624 0.1924 0.1329 0.3561 0.2414 0.1398 0.1543 0.3001 0.3009 0.3229 0.1265 0.3125 0.3933 0.1981 0.1868 0.8138 0.2153 0.1639 0.2060 0.4037 0.2040 0.1833 0.1556 0.2653 0.1457 0.1688 0.2592 0.2117 0.3514 0.3434 0.6276 0.5105 0.0770 0.0925 0.2209 0.1470 0.2502 0.3009 0.3758 0.2404 0.2162 0.1885 0.3609 0.5458 0.2222 0.2730 0.2614 0.1420 PFHxS 0.9841 0.3140 1.1536 1.6236 1.4554 0.8866 1.1316 1.1311 0.8993 0.2611 0.7732 1.1002 0.5157 1.2297 0.7079 0.9858 1.1069 1.3930 2.3026 0.0905 0.9694 1.3872 0.9899 1.0837 1.3340 0.6050 1.0249 2.3873 1.2106 2.4119 1.2963 0.0933 1.0001 1.8473 0.3263 0.0194 1.3593 1.0288 1.8151 1.4756 2.3518 0.7572 0.7819 1.6436 0.9929 0.7489 1.3842 0.7380 0.6060 0.0480 2.1850 1.0403 1.8607 0.8150 0.5032 0.7307 1.2621 0.0624 3.5167 0.6719 0.7491 0.8423 0.0543 0.2703 3.7997 1.2864 2.1721 1.0516 2.1149 1.7208 0.8261 1.6235 1.1023 0.7596 1.0748 1.3033 2.6010 0.9510 2.8526 0.8843 0.5678 0.9797 1.1079 2.2238 0.6008 0.8679 2.5585 0.2988 0.5608 1.3779 0.6606 0.9587 0.8606 1.0138 1.8172 0.6912 1.6243 0.5917 2.1923 0.8616 2.4746 0.0940 1.5898 0.9633 2.0587 1.3098 6.3442 4.0584 0.8723 1.2255 1.7993 2.5701 0.8008 0.7336 0.8556 0.9130 1.0224 1.9060 0.6491 1.6575 1.4006 1.5805 0.6891 0.7946 2.1678 0.0127 1.1121 1.7878 0.5273 1.0480 1.0751 0.4224 2.5013 1.2059 0.8910 1.2863 0.9299 1.0954 1.8434 2.4859 0.8480 0.5695 1.3745 1.0068 0.8900 0.3966 0.6193 1.2631 1.4249 1.5695 1.0676 1.3817 1.1249 2.2969 2.0701 0.8592 0.0641 3.7301 0.2115 0.0461 0.7849 0.6914 0.7024 0.9476 2.0220 1.0763 0.7891 1.8095 1.3521 1.0250 0.0230 0.7056 1.1996 2.0510 0.7055 0.6286 2.2436 1.1117 1.0416 1.3633 1.3791 1.0930 0.7323 1.4782 1.2690 0.8853 0.6487 1.8218 1.2988 0.5190 1.5536 0.7240 0.7204 1.4256 0.5416 1.2666 1.3813 0.9584 1.7473 2.3921 0.6610 1.9474 1.5392 2.2396 0.8604 0.8344 1.0156 0.9381 1.9385 0.8814 0.7551 0.5604 1.6416 2.1064 0.6135 0.8383 1.1347 1.0317 1.2658 0.6942 0.9531 1.1696 0.7484 1.1592 1.8393 1.0617 0.6193 1.0389 1.2615 0.6756 1.2448 0.5990 1.2546 0.2609 0.5830 1.1518 1.3064 1.3236 0.9125 1.6900 1.9100 0.0371 0.1655 0.9987 0.4738 0.8474 1.2185 1.0789 0.9907 0.6778 1.1536 0.6067 2.0413 0.5836 1.5613 1.2448 0.5024 PFNA adduct 0.4651 0.0538 0.7681 0.1063 2.2463 0.4964 1.2822 0.6639 0.5922 0.2026 0.3656 0.2133 0.3651 0.2952 0.5704 0.6728 0.8414 0.3779 1.2142 0.4413 0.2492 0.5837 0.3666 0.9198 0.7347 0.4087 0.1696 0.9922 0.8483 0.2430 1.5235 0.5234 0.3253 0.7250 0.3310 0.2712 0.3979 0.3641 0.7662 0.2742 0.6183 1.5618 0.3496 0.5545 1.1460 0.1467 0.3599 0.4729 0.0584 0.0853 0.2570 1.8776 1.2262 0.4399 1.4551 0.1912 0.9915 0.1286 0.2931 0.1431 0.8815 0.0632 0.1028 0.2947 0.5290 1.0276 0.3702 0.5554 1.3178 2.2405 0.2466 0.4483 0.1099 0.3050 0.9118 1.4289 1.6845 0.6695 1.8113 1.3348 0.8063 1.0404 0.6614 1.0975 2.9169 1.0634 0.6619 0.5475 0.4610 0.6049 1.1548 0.5492 0.9340 0.8895 0.6925 0.6791 0.5656 0.5804 2.9221 0.8491 1.9404 0.1705 0.1617 0.5530 0.3799 0.2952 0.3998 1.1476 0.9232 1.0081 0.6724 0.5058 0.5717 4.3472 0.1668 0.5055 1.9230 0.3986 0.9905 1.3259 0.8116 1.0269 2.1917 28.0934 0.0536 0.2127 0.7649 0.0443 0.1733 0.1163 0.6180 0.1942 0.5552 0.0834 0.2260 0.0173 0.6206 0.4295 1.9696 0.1037 0.1448 1.6058 0.6368 0.3476 0.3923 0.2564 0.2326 0.3197 0.4701 1.0291 0.2393 0.1711 0.5368 0.2100 0.0505 0.4609 1.1096 0.1011 0.5136 0.3078 0.0736 0.1388 0.2561 0.3599 0.9388 1.6177 0.4207 0.7715 1.0137 0.3495 0.0312 0.1497 0.1971 1.3878 0.9942 0.0873 0.2860 0.3502 0.3534 0.1646 1.6644 0.6328 0.9745 1.3916 0.2575 0.2475 0.4703 1.3303 0.3882 1.0132 0.5571 0.4267 1.4855 0.9851 0.2704 0.5772 1.3658 0.3286 1.2343 1.3587 0.2816 4.3951 0.4556 0.5094 1.5435 0.6858 3.2313 1.0011 1.4186 0.4527 0.1581 0.1475 0.8331 0.4156 0.2529 0.9848 0.3848 0.1929 0.8569 0.2797 1.1651 0.4180 0.3335 0.4392 8.2952 0.8542 1.1174 0.3995 0.6896 0.3069 0.7943 1.4885 0.5633 0.3801 0.2516 0.2953 0.2246 1.0298 0.5317 0.8016 1.8214 0.0655 0.0812 0.1502 0.4573 0.3029 0.0913 1.8982 0.4638 0.3502 1.2069 0.2913 0.8961 0.2432 0.5562 0.2915 0.6954 0.1388 PFOA adduct 5.7069 1.5921 3.3864 1.6561 9.3836 3.6529 8.8508 3.8098 7.7628 4.4535 3.9844 2.3736 1.4436 2.6045 2.5899 2.1042 5.5646 3.1378 3.3722 5.4469 5.1551 5.8242 6.0261 2.0639 7.0513 3.9733 4.6132 3.6421 3.2562 3.5101 6.0849 10.5990 3.3774 7.4993 2.9006 2.8428 6.3385 3.3523 2.0043 3.9249 4.6734 5.8005 2.9374 3.0926 6.6043 1.1859 5.5723 6.1103 1.7146 4.8798 3.3294 3.1551 1.7847 2.9684 5.8348 7.0122 3.8091 6.3202 2.7200 5.6958 1.0223 4.0517 1.5847 3.7216 2.3080 1.2496 3.3259 4.2078 4.2150 2.3993 2.9635 9.5611 11.2330 1.2239 4.7790 2.3843 4.9199 2.9179 7.7764 9.5594 6.5757 8.1193 4.3903 4.0036 6.6473 5.9617 6.1514 3.2873 5.3676 4.4404 4.3928 3.0593 3.8622 2.7173 3.6163 2.5637 5.9656 4.7852 3.9503 6.3671 3.1386 6.2954 9.8071 8.2223 2.3916 7.9937 3.6571 6.6289 6.5810 4.0261 7.3116 3.9806 6.7700 12.3579 5.8939 6.0792 2.4166 4.5899 14.1575 2.9209 4.4894 14.4535 3.4245 6.9815 7.2615 10.3327 4.1958 9.4733 70.5490 1.6800 2.5850 1.2076 1.3286 1.8767 0.8761 2.5217 2.9249 3.1390 1.0842 1.5753 0.3304 1.7368 3.1244 6.2712 2.3250 1.1736 4.9201 3.6192 1.2768 2.1799 1.7878 2.3324 1.4291 6.1507 4.3671 2.9612 1.7365 3.4011 1.6943 1.1486 2.0872 3.7130 0.7223 1.6516 1.9340 0.6248 1.0239 2.3189 2.6377 4.7502 8.5908 2.1504 2.7673 3.5460 1.6910 1.0487 1.3681 1.3479 5.6932 2.9273 2.2396 2.1479 2.4697 3.6673 2.1693 10.6855 5.3311 1.4662 4.4443 2.9902 4.0398 2.8479 2.4918 8.5610 3.7940 6.0190 4.8792 2.6851 3.1541 5.0066 1.2286 2.4528 6.5973 1.6153 5.7411 6.2335 1.4651 18.3367 4.0835 3.1994 5.5194 4.2270 9.5457 3.0762 5.3984 2.7883 1.5791 1.0576 5.8444 2.0517 1.5291 5.0805 5.4776 1.8333 4.5646 2.8394 5.3210 4.1827 4.5964 4.2879 12.4568 4.1484 5.2669 3.1845 5.5837 2.9094 5.2769 6.4190 4.4687 2.3670 2.1851 4.2445 2.4441 4.0679 2.7087 6.7776 8.4883 2.0880 0.9321 0.9861 2.6710 1.7652 0.9816 7.0211 2.2984 3.4696 6.2789 3.1589 4.7947 1.9279 4.2982 3.1058 3.5118 3.4212 qaPFSMb n=3 929.3089 770.6816 1105.4085 1016.8834 2097.3681 1024.4864 745.1322 956.7207 1383.0494 938.3669 1053.1322 613.9624 934.0127 903.3746 646.5123 960.9557 899.9457 1184.5606 1136.6213 1074.9880 765.6653 1011.0739 869.8539 840.7937 1048.0628 728.3423 704.7823 716.4702 1014.9562 612.5310 1145.5369 893.0992 884.3416 1110.5101 861.3811 983.7383 595.9211 939.9381 1199.8155 1038.0208 1007.8235 556.4586 823.3676 804.6964 502.6187 357.6436 1219.7136 899.9656 1094.4139 900.5735 1072.1292 565.0322 870.5312 845.3749 1322.2011 1122.6043 1375.5914 1258.3425 1005.8875 1135.2122 1204.1904 1059.3005 853.1450 1079.4827 756.2881 888.5027 1639.8368 1419.1244 1069.6459 1468.8551 1128.8159 949.1169 1003.2813 1265.2927 1407.2444 1148.9807 1340.4553 730.7076 910.0196 883.8788 945.1655 1225.5736 724.0231 1486.1887 1349.8960 1047.8301 816.0204 830.1661 954.3387 1130.3247 1298.5507 1001.6868 643.7901 916.6082 955.2134 729.5706 625.1812 1108.7910 991.6277 1048.8212 854.8124 747.3624 858.7833 1062.7627 1072.9980 733.4493 828.4975 1053.4123 801.6386 1013.5985 1034.4826 854.1431 1299.0788 1214.3297 1778.7987 726.8059 825.6886 1236.9812 986.8918 935.9171 990.2458 963.5432 1211.9388 659.6846 1325.9878 1199.2722 902.9989 837.8140 847.8273 626.0038 506.2977 378.1856 633.7057 431.7815 576.8911 326.5905 545.0879 340.9133 380.9985 392.4703 320.4797 460.9874 618.8156 556.7848 696.8815 498.2928 469.3190 893.3888 886.3600 935.9121 634.9392 519.1091 499.3686 696.8200 508.1946 366.6898 399.5117 537.5675 517.9395 524.0165 425.1947 377.0679 462.7492 554.8420 450.9961 496.7112 544.4668 569.0784 419.4087 641.1200 759.0542 483.9927 523.7069 544.7912 806.3114 716.8871 418.7308 881.6508 735.9154 630.8964 491.7488 768.2489 504.2563 840.4251 952.5944 773.6404 858.8419 729.6764 823.4674 504.6864 710.8676 1066.3532 1166.6361 917.3085 847.3149 610.3491 1143.4197 631.4730 1014.0396 1135.7460 1169.2426 629.0803 775.5283 445.5387 906.5128 1174.7103 674.1458 2090.3770 908.8508 843.1449 860.3953 738.0175 1309.8331 898.1258 672.3834 664.9534 838.0243 455.7830 1460.1758 965.0516 753.4448 659.6533 685.5491 739.6141 1101.4872 796.9010 915.1756 652.3952 740.9268 1005.1969 903.2044 808.0923 941.5272 927.2881 966.4895 1116.0723 796.7330 1032.3007 1072.8539 1118.3546 680.3757 869.4758 655.7819 840.6446 974.7471 1015.8694 614.6120 1172.0354 806.6800 820.4262 252.9703 1010.0862 759.3192 907.4170 592.6903 970.8245 871.5866 723.2507 580.6700 765.1161 1006.8063 809.1335 1170.4201 1009.6978 qaPFSMe n=4 815.6752 661.6446 891.0212 809.7907 1668.0642 908.3234 595.5961 719.3849 1123.9753 896.1305 908.0000 529.7943 762.1852 750.5731 574.3067 842.0458 794.9137 1042.3320 996.0561 1002.0823 694.4009 1000.2847 763.7174 816.1872 969.7710 625.4601 649.9765 619.7145 902.1508 570.5549 1065.8459 803.1270 805.5939 856.0115 737.4384 918.6014 461.3804 902.7976 1144.0192 854.5000 806.9915 502.9991 755.8710 802.2771 407.5569 323.1030 1115.4098 804.3189 1010.8515 756.8602 984.6903 485.8465 725.6579 687.2100 1081.5170 1043.4172 1284.9485 1206.7893 968.4156 1005.8780 1065.3064 875.6193 669.8860 1039.9393 689.9516 860.4414 1543.1485 1314.0879 959.0113 1367.7298 1176.1596 832.0300 970.0935 1260.6045 1172.8711 982.4235 1262.4802 576.4087 919.6758 767.3003 830.8387 1043.9751 608.7854 1278.3062 1197.7695 849.7730 712.8968 694.7559 847.4106 1122.3159 1161.4582 932.2443 562.4411 826.5764 861.3437 748.2594 550.5391 955.4391 749.7603 907.2619 767.8724 698.9086 798.5999 911.4740 951.2445 640.6329 736.3568 1022.1051 704.7212 1015.1037 971.6048 827.6642 1018.6186 950.6756 1461.0532 612.8559 647.5863 895.8413 853.1394 831.5954 862.5653 832.6138 1212.2003 596.7985 1178.8994 1056.7643 823.2947 811.5034 693.9695 513.1874 504.3191 322.3256 530.1677 335.8887 471.9289 274.0944 510.2384 206.7462 258.3616 269.2709 265.2626 335.0545 437.3779 425.6038 522.6995 379.4506 412.5462 810.3793 652.4472 729.3797 625.2434 383.3448 340.3762 640.8871 383.9933 386.6313 328.0359 437.1658 418.6877 466.1107 341.5091 297.8173 382.0556 473.1868 334.3948 432.5433 397.3721 469.6334 324.0011 512.7070 584.7577 356.4982 381.6552 382.2960 679.5708 591.4672 368.6488 741.4514 603.8908 555.9412 402.2375 532.1554 345.8564 662.5618 894.1510 728.3871 847.0082 781.0814 775.3039 578.8540 719.8123 792.2625 1129.8108 931.3194 510.3859 567.8563 762.8751 571.3115 850.8847 949.9656 908.4157 530.8989 750.8189 647.1723 712.9109 981.2500 558.4739 1338.0260 621.6569 571.4534 742.4630 911.2475 686.0147 780.6403 735.3887 529.9287 699.9511 607.9724 1171.0708 837.2482 922.6712 686.5805 1043.0522 696.2711 818.7657 619.4901 926.1869 560.5028 602.4194 1022.5698 725.0599 1096.3545 773.0066 633.1066 977.3464 1431.3485 649.4363 1110.7848 1007.6440 986.7938 682.0955 497.8861 602.9951 796.4095 857.8895 789.1545 437.8494 601.7092 607.6961 631.1246 528.8730 807.8905 467.2137 903.4149 394.7436 750.8454 813.7961 612.9163 684.9835 792.2862 874.0671 827.1166 847.6569 870.0787 qaPFSMf n=7 75.8428 63.5118 73.3460 68.0987 142.9859 75.2445 60.2039 67.1924 107.6627 75.6350 74.0780 51.3130 71.8997 82.1289 49.6460 78.2336 62.4696 92.6366 99.0198 79.2096 65.9256 80.4364 73.3846 82.4332 73.4110 48.8288 62.7249 54.9451 77.7141 55.0481 121.5975 61.2198 72.5180 66.3059 57.5654 63.5654 51.7058 78.3449 88.3970 84.8171 95.6021 41.4341 70.5766 73.4187 41.9386 26.0209 98.1146 67.6951 79.4614 72.3066 97.9425 52.4863 85.0474 65.9824 140.1101 95.1077 116.5427 114.4320 95.1133 114.5511 95.0583 110.5744 53.3902 112.4969 65.2604 85.5954 147.9609 118.4350 99.4469 136.9542 94.2276 83.5712 90.9075 102.9619 113.7741 80.8253 133.7348 43.5683 86.9006 67.7821 63.6587 100.1316 74.5930 134.2627 128.2534 109.5647 85.7269 74.5000 104.4254 130.7334 93.6217 76.3741 60.9941 96.7837 78.6575 75.3370 52.3069 95.6999 77.5838 89.1455 55.4062 71.7013 85.6150 99.2185 96.7296 66.0499 76.6715 96.4582 77.8293 96.3515 131.7077 84.8808 99.1902 80.7634 175.2147 49.6642 66.3646 84.9990 85.2668 100.2722 96.4136 76.7951 113.3856 46.6000 103.4303 64.5168 86.4309 84.4977 74.9526 67.0950 52.4879 42.1990 57.7704 37.4235 35.5214 24.8214 58.0191 28.2455 27.2791 27.0435 28.1169 30.6718 48.1946 35.6008 56.0026 47.1571 48.5325 82.1830 58.4976 83.8830 70.0547 36.9541 39.8513 87.8101 50.0423 34.6423 33.0052 49.0344 39.2004 43.8375 32.8412 29.4596 50.0526 50.9997 40.4255 42.8558 41.9685 54.5627 32.8570 50.1814 64.5108 44.3042 54.6130 36.1894 78.9611 65.2561 31.2287 84.2318 47.8262 60.2621 49.7534 61.2669 36.1066 72.2904 278.3515 145.9772 139.5994 327.0035 65.6465 85.4172 117.9965 301.8660 81.3841 162.2283 36.3871 158.0753 31.5053 199.4758 246.8392 73.3341 144.0485 40.1949 127.4633 60.6058 289.9716 343.6992 83.7005 15.7962 64.6972 41.4088 265.0700 69.5864 59.7301 226.9480 30.0617 53.8393 158.7691 18.0610 199.1173 55.3017 67.0822 147.5222 70.1580 76.1153 33.7563 109.3264 107.6433 88.3083 187.8207 28.0635 114.3242 233.6544 97.0457 99.8854 73.3579 21.8166 171.3875 238.9455 31.9081 19.6309 124.1482 84.3593 34.6060 35.1570 55.5051 90.9357 85.2795 79.6149 84.8179 153.7649 81.9987 TaMCA 0.5577 2.4566 0.7227 1.8722 3.0664 0.4125 3.3378 2.3995 0.3965 1.0713 0.3235 0.2221 0.0876 1.5160 1.3101 0.5766 0.4122 0.1714 1.7927 0.8296 0.5869 0.1961 1.1384 1.7477 0.1095 0.2638 1.8544 0.6287 0.5362 0.0571 0.3038 0.1939 0.1206 1.6764 0.7344 0.0584 0.7652 0.5868 1.1874 0.9029 0.1411 0.9415 0.1223 0.1476 0.5907 0.1383 4.3061 0.1408 0.9629 0.5673 1.7310 1.1794 0.7923 0.1706 1.2974 0.2796 0.0993 5.4200 0.1231 0.6277 1.3907 0.6164 0.1182 1.4797 0.0604 2.9463 0.7692 1.4351 0.8259 0.7747 0.0735 4.5609 4.0013 0.6344 0.0768 0.5429 1.9974 0.9446 1.2165 1.4054 0.2739 0.2359 4.2200 1.0188 0.9897 0.3902 0.2418 1.4086 0.5351 0.5559 1.4655 1.2528 0.3367 0.9098 0.8660 0.6461 0.4073 0.0508 0.2606 0.5291 0.2705 0.1960 0.0105 0.1654 0.3080 0.8192 0.0571 0.1244 0.5158 0.0348 0.3733 0.0201 0.3734 0.8105 0.4375 0.3752 0.0240 0.0192 0.8224 0.2456 0.0678 0.0452 0.0507 0.6855 0.4010 5.3739 0.0864 0.5801 0.1003 0.8183 0.4275 1.1850 1.0240 0.4964 3.5675 0.8952 0.0598 1.4549 0.1264 0.0819 0.1497 0.1110 0.6566 1.0059 1.2268 0.0589 0.2877 1.2566 0.8402 0.9398 0.6764 0.0581 0.3788 0.5280 0.1266 2.5258 0.3290 1.0538 0.5434 0.2682 1.0782 0.5404 0.1144 0.3361 0.1189 0.8407 0.4610 0.0860 TCA 17.3069 11.3583 9.6970 7.2913 65.0844 19.9722 11.9007 26.0912 28.4132 11.2299 15.4937 10.0940 20.4209 10.3248 7.7141 16.6382 9.9816 22.8142 17.2958 25.4145 18.8735 11.0749 15.9590 14.3292 14.6829 13.9666 7.0618 21.9645 12.4434 7.4182 10.0004 12.5322 10.4150 10.8017 26.4896 11.5230 7.4768 12.1419 11.4258 10.5921 14.3708 116.1588 11.7635 11.9969 10.2056 5.3787 10.4935 9.0675 30.0309 29.0791 12.2482 10.7797 49.9496 15.0040 11.6517 10.7263 10.3209 27.3982 10.3413 10.6826 10.2192 23.1958 8.0042 10.5161 13.3687 12.4669 11.9340 32.5359 16.2305 14.5128 12.7337 17.5873 11.4924 123.7306 12.8923 30.2722 12.7470 11.8498 21.7108 15.0173 283.1618 9.4378 7.0535 10.5190 16.5927 10.7243 8.6989 9.9976 71.7309 15.6380 91.2942 8.6809 13.3002 12.0116 9.0494 7.8519 11.1005 11.5027 24.1486 16.7019 14.3177 42.5610 14.7952 15.5683 15.0456 11.2495 22.6330 13.1570 12.8663 26.3413 54.8007 19.2238 10.9900 31.4129 19.6900 12.3223 8.1943 17.7131 13.3819 11.1169 13.1623 12.4027 11.4789 7.6207 10.4805 15.8126 8.2642 16.7169 24.7467 34.5032 9.3073 4.8490 5.4194 17.3731 4.2845 9.4153 6.7067 4.1787 5.8264 3.9050 6.7993 133.3993 6.7587 6.5964 7.1736 14.2172 34.8027 12.2872 15.0618 8.8257 7.0926 6.4321 5.4713 6.9393 8.1059 7.9969 9.1969 9.8894 7.7418 5.6294 15.5387 3.8900 6.2663 11.2646 6.4597 21.8793 4.5383 5.6916 7.9949 5.7094 7.8111 30.4166 32.9791 7.4710 13.6492 12.6338 4.7799 10.3714 12.8455 12.7137 9.2337 7.2548 13.5408 13.0205 20.3084 9.1087 11.6932 7.9922 17.2192 11.3104 16.1752 15.6807 15.8475 12.7685 5.7954 6.3204 11.8804 3.7915 7.8560 30.2447 22.3067 18.6417 10.4583 9.9375 12.3549 14.8240 7.9073 63.4002 11.4809 37.6395 14.4078 10.7730 79.4774 4.8012 27.6153 7.0359 31.4044 3.1348 30.9162 15.9284 22.6279 11.2473 11.4086 1.9817 7.6889 10.6686 14.0512 19.5274 25.8431 53.5017 15.2418 12.9744 9.2010 2.5194 6.8240 11.5474 15.4479 10.6671 42.7487 11.4362 4.3981 11.9973 3.8916 13.4337 10.0609 20.4602 2.3684 7.3419 8.7940 6.1652 29.4746 12.0857 12.8367 13.3271 6.3196 10.1611 7.6576 3.5849 15.5742 3.7588 16.3063 19.6541 8.8562 19.5700 TCDCA 22.0160 15.3108 6.3417 12.1413 209.6214 33.1419 8.1529 54.4813 69.3912 7.0901 14.3510 6.0185 59.4923 7.9664 43.6961 2.4545 10.1113 22.7236 40.0754 45.4428 15.3200 15.0465 34.5597 11.4160 14.4324 0.6016 31.4719 10.9728 17.0981 18.9781 17.1391 36.4342 11.3187 60.2495 16.8548 5.8990 8.8410 4.4386 2.9236 13.8574 193.6429 11.6071 13.9694 7.0626 5.1347 8.0398 4.5963 151.4175 16.3709 34.7186 13.3116 52.8173 21.0773 14.0370 6.6941 4.9895 25.3012 8.5680 11.0223 4.7460 40.1564 8.9220 15.6348 23.1333 3.1372 6.0949 58.8166 28.6902 7.4727 10.8711 21.5433 19.7540 119.1996 28.7076 63.7760 28.0762 12.4484 30.3476 28.5503 245.3451 9.5423 5.0541 5.1198 12.9340 8.7846 3.5186 2.7480 168.4258 20.7593 89.5262 2.9756 26.1263 7.1522 5.0666 14.4593 7.0572 7.2371 73.8665 29.0579 8.3202 125.7501 9.3132 6.8979 34.1406 12.9615 43.3395 8.5315 19.6494 54.6417 81.5069 82.6340 13.5127 56.1987 11.0321 32.2949 9.3661 29.7777 18.0346 10.1984 10.2594 6.8433 20.1244 6.3726 12.2343 54.0971 8.7872 16.4106 51.3398 182.0720 9.0994 7.1265 5.9947 21.8483 1.0061 14.0360 12.8423 4.0179 5.8341 3.6702 7.9705 272.5844 0.7350 5.1081 4.6461 21.8477 61.0566 3.9124 6.1019 5.8173 5.3360 5.0434 11.0556 8.2645 14.4309 10.0256 23.9246 14.0813 7.9326 6.4992 35.7038 2.0880 2.7291 26.0213 4.4826 68.2706 3.5134 2.5940 9.2137 1.1924 4.2335 25.5186 35.5858 6.4824 24.3961 11.7914 3.3995 6.5508 34.8269 49.6670 13.8828 7.3075 18.8027 4.4897 13.9705 31.5729 10.5444 10.9486 40.1933 10.1700 14.6563 14.6520 29.3071 9.4038 0.7585 1.4998 6.0478 2.1024 8.6877 47.4691 15.4187 62.0670 7.0947 30.0379 8.4010 20.1997 7.7006 266.4652 8.6672 68.4340 21.1099 6.1156 98.7667 5.3946 36.4298 4.6495 23.7100 16.1115 42.9240 31.7710 10.0922 7.9428 31.1867 5.0562 15.2856 17.2146 7.0292 20.2294 42.8282 80.5371 6.8742 9.9050 7.7337 15.2824 2.2904 12.5946 25.0025 13.8907 56.0864 9.3371 3.0108 10.5115 1.2289 5.7693 3.8712 6.8086 12.7331 5.0843 1.9232 6.2599 28.9941 27.7085 13.5669 65.5860 4.3947 9.1488 3.7509 10.5072 35.5489 5.6034 39.4563 14.4113 13.1898 21.1447 TDCA 6.9855 7.6607 16.1505 5.0014 129.6965 9.0275 19.8084 26.8684 63.5604 4.1749 6.2813 13.4748 35.6400 16.5430 10.7861 1.1486 10.4023 27.7747 13.7410 25.3413 14.9437 6.4319 35.4179 9.7594 1.8103 0.2815 30.7879 9.7983 24.5327 8.1610 8.2678 20.9405 4.3420 14.4168 7.2691 2.2639 6.1094 5.2983 1.3681 7.3609 277.2575 3.6842 10.1553 2.9378 6.9930 8.9627 4.8114 123.2505 2.7200 48.7381 13.4662 64.7126 19.8174 7.3934 20.3468 7.0983 54.2325 4.3725 26.2749 6.2327 30.1246 3.5595 7.5209 23.8285 1.4680 9.1455 81.4770 16.9976 2.7271 25.3534 10.7603 6.3725 41.2627 31.2903 23.2509 11.7810 1.9651 42.3348 6.3531 60.0409 3.8830 2.3650 12.7934 30.6741 16.0126 2.6156 8.3868 96.6675 10.3593 69.8692 2.1911 10.6863 14.0656 2.3708 6.1205 6.1796 13.5877 5.0557 5.4297 27.9611 105.9957 32.8420 13.3380 18.5982 2.5658 21.9828 13.9349 11.5106 59.5086 121.1547 38.7800 11.3806 23.5209 18.9861 16.9135 4.0931 20.5548 29.8495 8.1885 15.5491 5.1324 8.7357 5.9280 12.1614 27.7042 3.4953 25.1726 1.2691 86.1851 6.8026 2.6950 2.0638 15.8249 1.4650 8.7386 4.6536 2.0621 11.4892 4.0657 13.0969 115.4666 0.3439 4.6735 13.8143 7.7867 55.9794 6.7391 10.3978 6.4827 2.9075 3.4153 4.8979 6.3004 8.8263 5.7613 18.4636 1.5837 6.7347 6.2207 14.3643 1.3118 1.8639 7.6218 6.2952 64.8858 1.1880 3.2274 18.0484 0.5580 1.9810 5.1735 21.7933 10.4551 15.2251 8.6956 4.3351 13.3640 14.6153 4.0211 4.2179 16.8027 11.7727 8.0833 28.9886 13.3912 9.6937 5.6333 21.5396 18.7031 16.0338 4.7617 4.4836 17.3832 0.3424 0.6770 14.9529 5.5045 3.5333 5.2457 2.1427 42.0505 7.8244 13.4977 23.1866 29.6641 6.8932 151.0529 13.2702 29.1845 6.9834 2.7606 83.6075 9.7295 41.7868 4.9237 24.3696 6.5909 2.9082 21.5169 15.7376 12.5084 22.0369 2.3074 6.0774 20.2095 3.1730 12.7266 18.1401 71.9763 11.5576 11.4539 3.4910 4.3103 1.1116 23.1147 9.7893 5.9062 48.3363 4.7559 7.0083 8.4243 0.5547 3.7044 9.2267 7.8019 1.0363 9.9337 1.8844 2.1917 74.2558 16.9834 2.3096 28.2598 1.9838 18.1220 1.6932 10.4670 27.4731 1.3862 36.5449 14.0167 7.6111 11.7362 UDCA 42.7406 34.6474 55.1542 24.2952 32.6999 16.0280 49.8699 16.9506 10.3726 18.6786 46.0760 9.5656 31.5190 134.0203 36.4991 298.1027 14.1353 27.0662 29.7077 108.0148 29.2507 42.1052 26.2390 35.0655 18.1184 65.1015 17.8840 84.7092 105.6891 14.8408 117.4268 39.9980 48.0502 85.6786 64.5700 15.9889 71.1769 71.0974 28.6676 86.4206 30.6587 168.8429 28.2431 21.8523 58.9336 139.7436 38.7122 33.5810 64.9113 20.7418 48.6404 63.2026 72.7856 40.6566 132.3098 103.6835 23.4521 19.2652 18.6674 38.6171 14.2254 49.4068 41.6919 14.6016 17.3967 10.8185 18.3972 49.4603 17.4440 46.7861 75.5069 11.5974 123.4998 81.2586 96.1108 16.5222 38.5259 10.6477 66.0506 35.3458 34.1727 97.4487 61.4097 18.0763 37.7965 55.5548 44.1982 65.5529 93.1938 18.6395 41.0191 201.5640 41.3201 29.7349 38.9798 20.2766 116.0073 23.8223 17.1781 73.2591 44.9166 41.5790 33.6702 54.2996 12.8506 102.9102 22.0139 28.6265 45.9667 9.7371 63.9729 90.2692 28.9124 38.6655 69.8766 21.1192 64.5258 47.3635 39.5569 23.2634 81.3076 78.4761 37.0481 60.6555 109.0224 52.2723 89.6809 24.5107 5.3123 68.2160 25.2292 57.3435 29.1258 31.5007 25.7155 30.3905 149.3938 12.6212 26.2703 44.8384 63.0329 16.5540 25.2646 25.9695 63.1319 44.0738 26.9685 13.8149 10.0101 21.1306 17.1887 202.6016 18.0711 37.7432 85.3192 23.4956 51.3363 27.7600 8.1654 61.3974 12.8251 57.8763 84.2770 18.7209 58.9446 12.6228 25.9787 36.5339 59.4146 136.1191 31.3613 59.8419 30.3612 39.7808 25.1663 43.2721 22.7063 35.4534 104.1774 18.9075 21.4976 55.8288 30.9843 39.6391 18.1581 41.2705 45.3916 55.6932 79.5648 35.5191 28.5140 40.5256 7.3690 42.9527 38.5628 50.1578 35.3498 99.1503 21.1099 55.0525 29.6262 31.5745 15.3129 129.7569 27.3201 31.2432 27.5203 39.2793 86.5277 81.1719 94.1257 4.4141 28.8479 30.9570 16.3970 24.6376 44.7916 46.7829 52.2958 35.6282 39.8180 31.5401 32.6258 30.5663 75.6390 31.5291 14.4013 84.6951 38.4890 51.0116 35.9838 76.0837 14.9434 12.9768 30.7778 11.7785 69.6937 130.2319 58.7243 60.7750 75.9578 92.7415 5.7527 24.6352 19.3734 42.7746 64.3460 51.1429 24.5605 7.4404 40.4560 41.9420 1.4051 21.3750 27.6048 84.0575 20.5478 20.6366 37.2975 371.1253 79.3441 50.2350 50.3247 37.1659 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 12-Ketolithocholic acid 5.09 389.2695211 1OH-n:2 FTSAs n=8 0.78 542.9611702 6-Ketolithocholic acid_389.2694068_4.33 4.33 389.2694068 6-Ketolithocholic acid_389.2695135_3.93 3.93 389.2695135 6-Ketolithocholic acid_389.2695314_3.97 3.97 389.2695314 7-Ketolithocholic acid 4.43 389.2694004 7-oxo-DCA 3.73 405.2640064 BPA sulfate ? 0.93 307.0675651 Br-PFOS 4.71 498.9297876 CA 4.76 407.2800861 DCA 5.5 391.2853781 dPAs n=0 0.74 146.9832819 dPFAmCACEs n=4 0.78 606.9393656 dPFAm n=10 0.77 512.9705434 dPFAm n=7 0.77 362.9816138 dPFAm n=8 1.13 412.9770407 dPFLSA n=5 4.35 460.9329321 GCA 4.39 464.3011599 GCDCA 4.95 448.3065741 GHDCA 3.96 448.3063876 GLCA 5.54 432.3134773 Glycochenodeoxycholic acid-3-O-sulfate_528.2626581_3.58 3.58 528.2626581 Glycochenodeoxycholic acid-3-O-sulfate_528.2626977_3.54 3.54 528.2626977 GUDCA 4 448.3063787 HCA 3.8 407.2797273 HDCA 4.62 391.2850734 HPFLSA n=6 0.78 380.9510021 K/d-O/CO-PFLSA n=8 0.78 476.9360186 LCA 6.04 375.2901371 L-PFOS 4.88 498.9296695 mHPFLCA n=2 0.78 223.0202257 mHPFLCA n=4 2.63 351.0379813 mHPFSO4_ii n=13 0.78 567.0058148 mOPFLCA n=2 1.12 244.9656189 n:1 FTSAs n=7 0.77 462.9535101 n:2 FTOHs n=2 0.78 263.0127437 n:2 FTSAs n=10 0.77 626.9599959 n:2 FTSAs n=6 0.78 426.9601171 n:2 FTSO2PAs n=4 0.78 582.9838358 n:2 FTSPrAs n=2 0.85 351.0134869 OPFLCA_i n=4 0.78 378.9554858 PFAABs n=7_pos 0.79 556.0753508 PFAmCACEs n=10 0.78 544.9566181 PFAmCEs_i, n=6 4.39 856.9474537 PFDA 5.02 512.975965 PFDA adduct 5.27 468.9699781 PFHpS 4.43 448.9331354 PFHxS 3.9 398.9363242 PFNA adduct 4.86 418.9731581 PFOA adduct 4.39 368.9763099 qaPFSMb n=3 0.77 362.0805939 qaPFSMe n=4 0.77 444.0831764 qaPFSMf n=7 0.78 622.1043557 TaMCA 3.42 514.2813216 TCA 4.35 514.2835939 TCDCA 4.93 498.2887908 TDCA 5.04 498.288832 UDCA 4.37 391.2850365 METABOLITES_END #END