#METABOLOMICS WORKBENCH Arun_Sreekumar_20170518_125043 DATATRACK_ID:914 STUDY_ID:ST000783 ANALYSIS_ID:AN001239 PROJECT_ID:PR000569 VERSION 1 CREATED_ON July 6, 2017, 1:44 pm #PROJECT PR:PROJECT_TITLE Serum metabolomics study of prostate cancer for african american PR:PROJECT_SUMMARY We studied the metabolome in a group of AA and EA of prostate cancer and case PR:PROJECT_SUMMARY control plasma. PR:INSTITUTE Baylor College of Medicine PR:LAST_NAME Sreekumar PR:FIRST_NAME Arun PR:ADDRESS One Baylor Plaza, Houston, TX, 77030, USA PR:EMAIL Arun.Sreekumar@bcm.edu PR:PHONE 713-798-3305 #STUDY ST:STUDY_TITLE Absolute Quantification of 180 metabolites in serum from african american and ST:STUDY_TITLE european american in prostate cancer and case control samples ST:STUDY_SUMMARY Metabolite concentrations were obtained in prostate cancer and case control ST:STUDY_SUMMARY plasma samples from AA and EA individuals using the AbsoluteIDQ kit p180 ST:STUDY_SUMMARY (Biocrates Life Science AG, Austria) according to the manufacturer’s ST:STUDY_SUMMARY instructions. The analysis was performed using a QTRAP 6500 LC/MS/MS System (AB ST:STUDY_SUMMARY SCIEX, USA) equipped with an electrospray ionization source, Agilent G1367B ST:STUDY_SUMMARY autosampler and the Analyst 1.51 software (AB SCIEX, USA). ST:INSTITUTE Baylor College of Medicine ST:LAST_NAME Sreekumar ST:FIRST_NAME Arun ST:ADDRESS One Baylor Plaza, Houston, TX, 77030, USA ST:EMAIL Arun.Sreekumar@bcm.edu ST:PHONE 713-798-3305 #SUBJECT SU:SUBJECT_TYPE human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 15298 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 17585 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 17848 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 17893 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 17962 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 17985 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 18004 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 18013 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 18014 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 18035 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18062 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18072 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18077 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18109 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 18130 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 18137 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 18140 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 18154 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18177 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 18183 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 18225 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18228 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 18250 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18262 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 18265 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18277 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18285 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18302 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 18323 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18331 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 18402 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18404 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18414 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 18415 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 18463 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18489 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 18515 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 18517 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 18538 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 18542 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 18557 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 18559 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18567 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 18580 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18596 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 18638 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18664 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 18665 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 18669 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 18702 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18717 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 18783 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 18796 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 18865 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 18893 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 18939 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 18970 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 19001 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 19023 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 19084 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 19093 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 19113 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 19144 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 19157 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 19168 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 19189 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 19224 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 19237 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 19243 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 19255 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 19464 Status:Case control | RACE:EA SUBJECT_SAMPLE_FACTORS - 19502 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 19515 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 19575 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 19622 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 19648 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 19655 Status:Prostate cancer | RACE:EA SUBJECT_SAMPLE_FACTORS - 19678 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 19766 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 19838 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 19843 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 19869 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 19901 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 19924 Status:Prostate cancer | RACE:AA SUBJECT_SAMPLE_FACTORS - 20049 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 20051 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 20070 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 20078 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 20099 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 20103 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 20319 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 20323 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 20361 Status:Case control | RACE:AA SUBJECT_SAMPLE_FACTORS - 20752 Status:Case control | RACE:AA #COLLECTION CO:COLLECTION_SUMMARY Clinically annotated ancestry verified serum samples from the National Cancer CO:COLLECTION_SUMMARY Institute. #TREATMENT TR:TREATMENT_SUMMARY NA #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Briefly, 10 μl of undiluted plasma sample from each patient or control SP:SAMPLEPREP_SUMMARY individual was placed in individual wells of a 96 well plate provided by the SP:SAMPLEPREP_SUMMARY manufacturer. Samples were dried at room temperature using a nitrogen evaporator SP:SAMPLEPREP_SUMMARY drying unit for 30 mins. Following this, 20 μl of 5% phenylisothiocyanate SP:SAMPLEPREP_SUMMARY (PITC) reagent was added to the dried plasma spots and incubated for 20 min at SP:SAMPLEPREP_SUMMARY RT. The plate was again dried under the nitrogen evaporator for 60 mins. Next, SP:SAMPLEPREP_SUMMARY 300 μl of 5 mM ammonium acetate in methanol was added to each well and the SP:SAMPLEPREP_SUMMARY mixture was incubated on a shaker (450 rpm) for 30 mins. The plate was then SP:SAMPLEPREP_SUMMARY centrifuged at 100 g for 2 min resulting in a volume of ~ 250 μl sample in the SP:SAMPLEPREP_SUMMARY plate (labeled as Flow injection or FIA plate). 150 μl of the sample was SP:SAMPLEPREP_SUMMARY subsequently transferred from the FIA plate into a second plate (termed LC-MS SP:SAMPLEPREP_SUMMARY plate). In total, all the samples were analyzed in three batches, each SP:SAMPLEPREP_SUMMARY containing one FIA and LC-MS plate, respectively. 150 μl HPLC grade water was SP:SAMPLEPREP_SUMMARY added to the LC-MS plate to make up the volume to 300 ul. In parallel, 500 μl SP:SAMPLEPREP_SUMMARY of mass spectrometry injection solvent (stock solution provided by Biocrates was SP:SAMPLEPREP_SUMMARY diluted in methanol) was added to the FIA plate. The LC-MS plate was analyzed SP:SAMPLEPREP_SUMMARY using Multiple Reaction Monitoring post LC-MS fractionation. The FIA plate was SP:SAMPLEPREP_SUMMARY stored at 4°C until the LC-MS plate was completed assayed. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Flow injection coupled to MRM was used to measure mono-unsaturated CH:CHROMATOGRAPHY_SUMMARY glycerophosphophocholines in samples in the FIA plate. For flow injection CH:CHROMATOGRAPHY_SUMMARY analysis, 20 μl of sample was injected directly into the MS at a flow rate of CH:CHROMATOGRAPHY_SUMMARY 30 μl/min in mobile phase. CH:CHROMATOGRAPHY_TYPE None (Direct infusion) CH:INSTRUMENT_NAME None CH:COLUMN_NAME none #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME AB Sciex 6500 QTRAP LC-MS/MS MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS uM MS_METABOLITE_DATA_START Samples 15298 17585 17848 17893 17962 17985 18004 18013 18014 18035 18062 18072 18077 18109 18130 18137 18140 18154 18177 18183 18225 18228 18250 18262 18265 18277 18285 18302 18323 18331 18402 18404 18414 18415 18463 18489 18515 18517 18538 18542 18557 18559 18567 18580 18596 18638 18664 18665 18669 18702 18717 18783 18796 18865 18893 18939 18970 19001 19023 19084 19093 19113 19144 19157 19168 19189 19224 19237 19243 19255 19464 19502 19515 19575 19622 19648 19655 19678 19766 19838 19843 19869 19901 19924 20049 20051 20070 20078 20099 20103 20319 20323 20361 20752 Factors Status:Prostate cancer | RACE:AA Status:Prostate cancer | RACE:EA Status:Case control | RACE:EA Status:Case control | RACE:EA Status:Case control | RACE:EA Status:Prostate cancer | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:EA Status:Case control | RACE:EA Status:Case control | RACE:EA Status:Case control | RACE:EA Status:Prostate cancer | RACE:EA Status:Prostate cancer | RACE:EA Status:Case control | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:EA Status:Prostate cancer | RACE:AA Status:Prostate cancer | RACE:AA Status:Case control | RACE:EA Status:Prostate cancer | RACE:EA Status:Case control | RACE:EA Status:Prostate cancer | RACE:EA Status:Case control | RACE:EA Status:Case control | RACE:EA Status:Case control | RACE:EA Status:Prostate cancer | RACE:AA Status:Case control | RACE:EA Status:Prostate cancer | RACE:AA Status:Case control | RACE:EA Status:Case control | RACE:EA Status:Prostate cancer | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:EA Status:Case control | RACE:AA Status:Prostate cancer | RACE:AA Status:Prostate cancer | RACE:AA Status:Prostate cancer | RACE:AA Status:Prostate cancer | RACE:EA Status:Prostate cancer | RACE:EA Status:Case control | RACE:EA Status:Prostate cancer | RACE:AA Status:Case control | RACE:EA Status:Prostate cancer | RACE:EA Status:Case control | RACE:EA Status:Case control | RACE:AA Status:Case control | RACE:AA Status:Prostate cancer | RACE:EA Status:Case control | RACE:EA Status:Case control | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:EA Status:Prostate cancer | RACE:EA Status:Prostate cancer | RACE:AA Status:Prostate cancer | RACE:AA Status:Prostate cancer | RACE:AA Status:Prostate cancer | RACE:EA Status:Prostate cancer | RACE:EA Status:Prostate cancer | RACE:EA Status:Prostate cancer | RACE:EA Status:Prostate cancer | RACE:EA Status:Prostate cancer | RACE:AA Status:Prostate cancer | RACE:EA Status:Prostate cancer | RACE:EA Status:Prostate cancer | RACE:EA Status:Case control | RACE:AA Status:Case control | RACE:EA Status:Prostate cancer | RACE:EA Status:Case control | RACE:EA Status:Case control | RACE:EA Status:Prostate cancer | RACE:AA Status:Prostate cancer | RACE:AA Status:Prostate cancer | RACE:EA Status:Case control | RACE:AA Status:Prostate cancer | RACE:EA Status:Prostate cancer | RACE:EA Status:Prostate cancer | RACE:AA Status:Prostate cancer | RACE:AA Status:Prostate cancer | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:AA Status:Prostate cancer | RACE:AA Status:Prostate cancer | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:AA Status:Case control | RACE:AA lysoPC a C14:0 3.155 3.78 4.79 2.5 2.53 4.23 2.59 2.68 2.72 5.94 2.85 4.44 4.13 73.3 4.76 3.39 3 31.8 3.63 2.89 2.87 4.45 4.47 9.4 5.96 4.49 5.2 2.94 6.6 4.18 5.07 5.81 3.045 53.7 4.95 2.9 5.93 4.37 4.45 4.44 4.63 5.35 4.105 4.04 5.27 3.92 4.05 7.48 4.9 3.94 5.86 6.06 4.24 4.89 5.1 5.03 4.57 5.15 4.57 5.25 5.71 4.59 6 4.62 3.57 4.39 5.32 4.09 3.93 3.98 3.69 5.56 3.14 4.61 3.96 3.75 4.23 3.97 4.3 3.88 4.89 5.21 2.54 4.37 4.65 4.59 4.78 3.33 4.09 3.36 4.1 4.12 4.02 4.21 lysoPC a C16:0 84.85 87.4 157 59.3 57.8 118 56 83.2 90.1 279 58 153 127 163 134 112 124 93.5 111 106 78.2 156 62.1 54.6 97.5 74.5 125 117 121 118 124 124 133.5 218 99.1 99.9 109 85.5 120 121 157 111 104.3 147 130 138 159 160 86.3 127 114 101 116 106 79.5 86.2 83.8 98.5 72.3 97.2 129 88.4 102 105 113 165 95.6 165 129 148 113 114 163 104 54.3 159 136 118 151 99.4 106 83.6 86.6 215 63 90.3 74 109.5 118 137 182 150 133 212 lysoPC a C16:1 2.26 3.18 7.33 1.86 1.78 2.95 1.55 1.95 2.23 6.89 1.98 4.2 4.09 11.7 6.01 2.64 3.3 3.64 2.91 2.69 2.42 5.86 2.38 2.14 4 2.48 4.49 3.58 4.18 4.46 3.51 4.7 4.375 7.41 2.84 3.52 3.79 2.81 3.22 2.85 7.21 2.66 4.065 4.77 3.88 3.85 3.76 6.59 2.61 4.7 2.75 3.1 4.59 3.75 2.36 2.36 1.92 3.3 1.51 3.33 3.42 2.21 2.9 2.69 3.48 4.64 2.69 4.45 4.52 4.69 2.94 2.94 3.91 2.74 0.827 4.3 3.75 2.93 4.08 2.52 2.28 2.66 1.95 5.01 1.93 2.41 2.26 2.36 3.68 3 4.81 3.46 2.74 6.19 lysoPC a C17:0 1.635 1.33 3.25 1.27 0.781 2.42 0.96 1.66 1.74 3.24 1.07 2.23 2.44 26.7 2.6 2.3 1.87 20 1.22 1.47 1.87 1.94 1.04 8.12 1.3 1.13 1.74 1.78 2.52 1.155 2.57 1.54 2.36 33.3 1.68 1.74 1.52 1.52 1.97 2.95 2.34 2.3 1.63 2.83 1.73 2.39 3.27 2.65 1.44 2.64 1.24 1.53 1.21 1.47 0.912 1.79 1.37 2 1.54 2.02 1.88 1.78 1.16 1.69 3.37 3.03 2.16 3.59 2.44 3.68 2.54 1.17 1.97 1.98 0.828 3.93 2.3 1.74 2.1 2.92 1.95 1.2 1.92 2.78 0.918 1.47 0.933 1.635 2.09 2.39 2.47 2.26 2.13 2.73 lysoPC a C18:0 27.75 23.7 43.1 18.4 18 34.8 20.1 31 28.2 81 16.2 39.4 33.7 92.8 34.5 36.2 34.2 42.3 26.7 35.9 25 42.1 16.7 28.5 22.5 21.7 32.4 30.8 35.2 28.45 37.5 31.4 52.85 107 26.9 33.3 31 25.7 40.9 38.8 39.6 39.7 30.6 45.4 34.2 35.6 52.5 49.3 26 29.7 30.3 26.9 30.5 28.4 24.4 28.1 30.7 36 22.1 31.7 42 23.2 27.9 26 35.6 51 25.4 58.5 36.9 47.2 30.4 38 41.9 25.4 18.3 54.5 42.3 30.4 40.2 29.3 36.6 22.6 29.5 74.3 19.3 26.1 20.7 35.75 32.3 47.2 52.6 55 45 55.1 lysoPC a C18:1 19.85 14.2 43.1 11.3 12.1 23.8 11 15.8 18.6 41.8 12.8 27.9 23.9 16 25.6 23.2 25.3 12.2 19.7 28.7 20.7 36 12.2 15.2 22.2 12.8 23.7 25.6 33.5 23.7 22.7 19.7 28.7 24.9 24.7 26.1 21.8 23.4 22.5 23.2 26.5 16.9 25.2 29 24.2 20 34.7 39.4 17.9 26.5 22.2 22.6 22.5 17.1 13.6 20 15.2 20.3 11.4 20 26.6 17.1 16.8 20.4 32.9 32.3 16.5 36.4 22 29.5 24.6 18 30 20.9 12 39.5 27.7 13.5 24.7 17.1 23.1 15 15.6 31.8 13.2 14.8 15 16.85 19.5 23.5 27.8 29.7 19.8 30.6 lysoPC a C18:2 34.75 20.1 92.3 13.8 13.2 41.9 14.4 20 16.4 72.1 16.2 37.2 41.9 20 31.2 37.3 51.5 14.5 22 37.8 27.8 52.9 14.8 17.5 26 17.7 29.9 56.5 48.8 19.6 30.9 26.6 38.45 29.6 47.8 31.4 24.8 42.9 27.5 52.7 29.5 32.6 31.9 39.8 31.4 25.7 66.7 42.5 27.3 36 34.5 40.9 29.6 30 24.4 40.8 23.3 34.2 20.3 31.4 63.6 29.6 32.1 46.1 55.5 43.5 24.3 60.5 29.7 46.1 31.6 25.7 51.6 31.3 43.7 51.4 60 20.7 48.4 20.4 44.7 24.6 24.3 43.9 29.7 22.3 17.2 24.7 27.8 41.5 46.2 61 39.9 40.8 lysoPC a C20:3 1.69 2.76 3.51 1.16 1.48 3.05 0.709 1.69 1.69 6.58 1.08 2.35 2.14 1.47 4.85 1.89 2.55 8.91 2.25 1.84 1.67 3.47 0.782 1.47 2.35 1.7 2.09 2.46 3.95 3.075 1.39 2.09 2.375 12.5 1.94 1.83 3.13 1.89 1.47 2.88 2.61 2.66 2.725 4.48 2.94 2.33 2.47 3.98 2.33 3.1 2.26 3.26 2.48 1.94 2.06 1.95 1.44 3.13 1.09 1.8 3.88 1.93 1.76 2.16 3.74 2.79 1.92 3.02 2.75 4.11 3.36 2.72 2.29 2.02 1.2 4.19 4.5 2.22 3.04 1.8 2.98 1.99 1.98 5.49 1.95 1.79 1.43 1.87 2.45 2.44 2.81 3.81 2.46 3.61 lysoPC a C20:4 11.25 10.2 12 4.42 5.43 10.2 3.59 7.27 6.53 16.2 3.7 9.26 6.06 5 14 9.65 11.1 4.55 8.52 8.3 9.45 10.8 2.93 5.98 9.14 4.82 10 11.3 11.4 9.205 5.53 6.71 11.95 11.1 11.9 9 10.6 7.9 8.5 8.38 8.9 6.93 7.74 11.1 8.3 9.27 13.4 11.1 5.73 20.3 9.99 7.84 7.51 7.47 6.83 9.07 6.51 10.4 4.98 5.21 10.5 6.54 8.38 7.28 9.77 8.4 6.49 16.6 9.33 12.8 16.8 6.31 13.5 8.48 7.64 11.2 10.5 7.49 12 6.73 11.1 6.25 15 22.3 6.61 7.1 6.18 8.08 8.5 10.6 11.5 15.8 11.4 12 lysoPC a C24:0 0.1595 0.147 0.144 0.121 0.1 0.217 0.113 0.119 0.121 0.254 0.119 0.178 0.194 65 0.133 0.225 0.137 32.7 0.128 0.17 0.187 0.22 0.073 15.8 0.098 0.103 0.174 0.167 0.186 0.194 0.122 0.114 0.31 79.6 0.124 0.132 0.096 0.116 0.158 0.254 0.188 0.169 0.182 0.226 0.204 0.191 0.269 0.197 0.163 0.138 0.146 0.184 0.207 0.094 0.144 0.121 0.193 0.112 0.129 0.207 0.245 0.118 0.163 0.115 0.21 0.252 0.111 0.245 0.152 0.248 0.242 0.146 0.211 0.237 0.1 0.196 0.23 0.165 0.219 0.155 0.146 0.072 0.159 0.206 0.139 0.104 0.129 0.214 0.257 0.261 0.294 0.347 0.198 0.174 lysoPC a C26:0 0.222 0.193 0.179 0.187 0.179 0.297 0.161 0.208 0.243 0.209 0.209 0.188 0.277 159 0.226 0.252 0.17 64.4 0.142 0.239 0.213 0.304 0.088 20.4 0.162 0.123 0.137 0.139 0.173 0.3035 0.111 0.151 0.3325 146 0.138 0.113 0.167 0.086 0.129 0.249 0.209 0.14 0.2035 0.337 0.25 0.298 0.232 0.228 0.118 0.21 0.109 0.134 0.396 0.105 0.13 0.12 0.132 0.148 0.121 0.122 0.221 0.114 0.133 0.093 0.298 0.223 0.123 0.18 0.221 0.435 0.339 0.152 0.19 0.23 0.094 0.335 0.28 0.267 0.341 0.29 0.124 0.117 0.198 0.248 0.127 0.124 0.101 0.2685 0.315 0.406 0.36 0.326 0.218 0.198 lysoPC a C26:1 0.119 0.096 0.081 0.111 0.115 0.135 0.099 0.14 0.165 0.143 0.126 0.105 0.166 10 0.108 0.154 0.12 17.3 0.099 0.109 0.166 0.178 0.065 2.14 0.085 0.075 0.09 0.094 0.132 0.1665 0.055 0.074 0.1935 3.7 0.092 0.086 0.08 0.074 0.091 0.15 0.127 0.079 0.1155 0.181 0.127 0.207 0.154 0.122 0.067 0.145 0.07 0.076 0.202 0.051 0.073 0.09 0.091 0.072 0.077 0.083 0.093 0.072 0.088 0.078 0.179 0.139 0.095 0.157 0.155 0.241 0.238 0.077 0.124 0.175 0.055 0.152 0.201 0.16 0.153 0.141 0.082 0.075 0.183 0.214 0.069 0.107 0.118 0.144 0.138 0.189 0.216 0.252 0.16 0.178 lysoPC a C28:0 0.2985 0.272 0.38 0.189 0.192 0.435 0.156 0.302 0.263 0.405 0.262 0.338 0.375 108 0.352 0.398 0.255 45 0.223 0.317 0.342 0.317 0.125 13.2 0.226 0.133 0.157 0.312 0.376 0.395 0.174 0.222 0.427 88.1 0.226 0.227 0.25 0.156 0.222 0.373 0.313 0.233 0.3 0.389 0.305 0.358 0.345 0.414 0.175 0.257 0.17 0.26 0.431 0.172 0.129 0.258 0.223 0.212 0.183 0.196 1.01 0.165 0.273 0.235 0.471 0.323 0.296 0.416 0.381 0.572 0.374 0.227 0.295 0.37 0.154 0.421 0.419 0.341 0.425 0.36 0.23 0.219 0.277 0.526 0.155 0.212 0.178 0.349 0.44 0.457 0.451 0.437 0.34 0.326 lysoPC a C28:1 0.2425 0.227 0.399 0.145 0.156 0.351 0.142 0.283 0.235 0.421 0.213 0.368 0.36 25 0.397 0.433 0.274 6.36 0.201 0.283 0.279 0.479 0.15 1.28 0.282 0.18 0.21 0.251 0.633 0.3505 0.209 0.36 0.4675 11.1 0.259 0.152 0.231 0.203 0.251 0.561 0.29 0.284 0.341 0.498 0.346 0.445 0.409 0.319 0.263 0.326 0.23 0.222 0.377 0.157 0.196 0.265 0.248 0.241 0.294 0.299 0.362 0.267 0.324 0.199 0.45 0.5 0.421 0.492 0.309 0.693 0.489 0.242 0.288 0.532 0.13 0.422 0.678 0.364 0.375 0.417 0.302 0.245 0.289 0.466 0.233 0.206 0.236 0.3315 0.37 0.578 0.519 0.537 0.422 0.396 PC aa C24:0 0.098 0.134 0.064 0.075 0.066 0.119 0.077 0.09 0.091 0.092 0.074 0.07 0.081 5.6 0.074 0.121 0.06 5.76 0.06 0.101 0.092 0.151 0.044 2.46 0.046 0.047 0.051 0.052 0.048 0.095 0.039 0.036 0.1765 4.01 0.058 0.061 0.354 0.034 0.049 0.076 0.077 0.044 0.0525 0.228 0.237 0.104 0.086 0.139 0.042 0.1 0.067 0.047 0.128 0.037 0.204 0.06 0.038 0.066 0.05 0.143 0.048 0.041 0.042 0.038 0.082 0.146 0.056 0.083 0.103 0.166 0.121 0.036 0.1 0.154 0.06 0.112 0.093 0.084 0.262 0.103 0.036 0.047 0.371 0.099 0.403 0.05 0.041 0.1435 0.195 0.147 0.117 0.256 0.095 0.088 PC aa C26:0 0.66 0.668 0.706 0.561 0.568 0.866 0.599 0.639 0.607 0.725 0.726 0.661 0.814 11.4 0.655 0.75 0.616 12 0.586 0.701 0.656 1 0.403 6.43 0.409 0.405 0.447 0.552 0.468 0.752 0.383 0.42 0.7195 8.62 0.41 0.559 0.451 0.401 0.417 0.699 0.682 0.414 0.581 0.695 0.935 0.756 0.782 0.831 0.394 0.621 0.421 0.456 0.886 0.354 0.461 0.407 0.382 0.434 0.439 0.394 0.511 0.431 0.44 0.361 0.72 0.749 0.44 0.659 0.661 1.01 0.669 0.36 0.67 0.8 0.356 0.821 0.761 0.782 0.96 0.71 0.375 0.441 0.649 0.65 0.406 0.422 0.369 0.673 0.74 0.786 0.872 0.92 0.711 0.769 PC aa C28:1 1.26 2.04 3.73 0.605 0.859 2.32 1.11 1.24 0.677 3.07 1.37 2.96 2.13 6.82 2.93 3.56 1.84 5.23 1.27 1.86 1.22 4.3 1.14 3.25 2.3 1.19 1.63 1.61 4.65 1.93 1.44 2.75 2.27 7.17 1.49 1.47 1.78 1.62 1.68 4.53 2.05 2.49 2.115 1.94 2.31 2.7 2.59 2.45 2.32 1.13 1.89 1.61 1.67 1.47 1.71 1.85 1.59 1.51 2.68 1.98 2.7 2.24 2.05 1.56 2.31 2.92 3.52 2.66 1.22 3.82 2.03 1.61 1.3 3.32 1.39 2.4 3.23 2.91 1.66 2.14 1.77 2.79 1.72 2.39 1.95 1.58 1.57 1.315 2.74 2.56 3.18 4.71 2.41 2.66 PC aa C30:0 1.66 2.27 4.96 0.635 1.1 4.78 1.95 1.51 0.847 5.09 1.17 3.61 3 4.49 3.32 4.37 2.21 4.01 2.92 2.98 1.37 7.15 1.74 3.61 3.56 1.55 2.36 2.2 5.46 3.355 1.53 3.38 2.67 2.75 1.38 1.73 3.83 1.71 2.05 4.4 3.27 2.51 1.99 3.5 5.24 2.6 4.11 6.07 2.87 1.44 2.23 3.7 4.02 1.27 2.27 2.63 2.14 1.96 2.47 2.71 5.73 2.52 4 1.99 3.29 3.54 3.64 2.65 1.78 5.14 2.03 2.25 2.25 5.16 1.15 2.63 4.04 4.16 2.2 2.79 2.75 4 2.01 2.71 2.76 1.7 2.84 1.62 3.39 2.38 3.58 5.83 2.95 2.66 PC aa C30:2 0.127 0.03 0.307 0.049 0.015 0.182 0.092 0.069 0.053 0 0.062 0 0.132 0.227 0.107 0.325 0.189 0.406 0.09 0.278 0.097 0.21 0.066 0.09 0.03 0.003 0.099 0.048 0.07 0.1655 0.095 0.307 0.11 0.412 0.13 0 0.209 0.062 0.105 0.067 0.181 0.011 0.0485 0.114 0.053 0.073 0.092 0.16 0.149 0.077 0.09 0.077 0.146 0 0.241 0.3 0.132 0.084 0 0.165 0.193 0.049 0.133 0.195 0.109 0.08 0 0.138 0.129 0.187 0.076 0.066 0.049 0.23 0.156 0.041 0.253 0.024 0.065 0.126 0 0.132 0.1 0.076 0.129 0.109 0.039 0.032 0.2 0.194 0.037 0.068 0.195 0.035 PC aa C32:0 11.3 13.9 31.8 4.72 7.55 22.1 12 10.6 6.57 31.6 8.53 24.7 19.6 29.5 15.7 27.1 18.4 34 20.3 26.4 9.87 37.6 12.8 23.9 21.2 10.8 23.1 17.7 25.9 22.6 15.1 21 22.3 26.8 11.1 10.7 22.3 18.9 19.4 26.6 21.3 19.3 15.75 23.9 18.9 22.6 23.3 28.5 18.6 9.96 13.2 19.1 22.3 10.7 15.5 17.4 16.9 12.9 14.5 20.5 32 19.3 24.5 19.7 27.1 23 21.4 19.6 13.6 36.2 15.2 14.1 22.2 24.6 12 22.2 28.1 28.4 20.3 16.7 19.8 22.8 25.9 20.3 18.7 15.2 20.2 16.3 24.8 20.7 28.2 34.3 18.9 22 PC aa C32:1 6.925 15 26.3 4.39 9.84 20.1 6.73 5 3.01 23.2 6.4 21.6 16.4 9.22 32.9 14.9 11.6 8.93 28.4 15.3 6.51 70.4 13.5 10.7 40.3 12.8 15.9 13.3 32.6 49.1 9.91 31.7 12.35 7.88 6.73 7.54 36.3 13.3 12 17 53.3 13.7 14.05 29.4 39.2 22.6 18.9 39.5 18.2 14.8 22 27.7 45.3 18.6 20.9 8.87 8.3 11 9.84 18.9 24.9 14.1 31.7 12.7 20.3 26.5 18.9 10.5 23.8 36.1 13.8 18.5 16 24.1 3.36 15.3 23.3 27.4 17.7 12.9 9.88 21.8 8.88 16.3 10.8 13 25.3 12.45 26.1 13.7 23.2 28.3 15 21.4 PC aa C32:2 3.72 3.71 15.3 1.51 1.9 6.27 2.86 2.37 1.05 7.44 2.67 7.24 7.27 0.449 9.41 7.52 5.86 5.32 6.57 4.42 3.28 14 5 2 9.42 2.97 4.94 4.71 11.8 7.005 4.53 7.29 5.28 1.03 3.16 3.38 8.8 4.38 3.31 15 8.45 7.25 4.93 5.33 9.28 6.9 6.99 14.2 7.86 4.92 6.24 6.51 7.53 6.15 6.17 4.54 4.41 5.62 5.71 8.17 8.39 6.32 10.8 2.93 6.61 10.6 6.29 5.06 4.35 10.4 4.15 6.78 4.64 10.3 1.98 5.49 10.3 8.74 9.06 5 5.66 8.14 2.93 5.14 7.03 4.14 4.22 4.435 6.52 5.97 8.61 10.4 7.98 6.22 PC aa C32:3 0.912 0.689 2.47 0.341 0.378 1.23 0.543 0.588 0.425 1.08 0.423 1.06 1.2 0.968 1.17 1.57 1.17 4.07 0.963 1.51 0.715 1.75 0.724 0.63 1.04 0.593 0.889 1.08 1.54 0.7955 0.79 1.02 1.3 2.16 0.721 1.22 1.18 0.953 0.638 1.7 1.5 0.9 1.0775 0.813 0.945 1.14 1.04 1.15 1.1 0.847 0.656 0.691 1.37 0.621 0.952 1.13 1.14 0.951 0.741 1.14 1 0.885 1.13 0.978 1.18 1.14 1.19 1.28 0.857 1.26 0.699 0.698 0.978 1.41 0.641 1.28 1.28 1.13 1.42 0.671 1.13 1.16 1.11 1.31 1.24 0.716 0.602 0.5555 1.18 1.27 1.49 1.5 0.946 1.32 PC aa C34:1 136 202 302 73.1 126 245 99.9 108 89.1 336 130 328 236 54.9 314 270 186 67.5 345 283 148 592 154 95.9 405 153 218 198 375 468.5 171 331 220 44.3 132 201 359 224 229 263 413 220 237 291 393 282 267 351 260 196 294 273 369 195 232 144 176 134 186 266 322 250 335 220 355 389 286 213 216 455 263 226 203 360 121 272 295 297 227 189 194 275 176 277 166 207 333 219 314 284 318 446 235 296 PC aa C34:2 420 443 1185 175 229 675 287 338 190 969 366 822 788 72.9 600 989 715 114 632 744 393 1177 429 146 701 370 604 667 743 590.5 646 835 729.5 72.2 448 529 611 691 583 1068 759 753 554 514 683 730 800 795 729 490 542 626 768 659 626 558 573 437 810 746 954 743 948 708 902 891 683 706 459 1146 436 597 583 741 613 801 926 863 915 397 678 826 555 730 676 569 475 573.5 592 868 1018 1237 736 837 PC aa C34:3 16.25 15.8 54.2 7.24 9.91 27.3 10.1 10.5 5.73 46.6 11.6 28.6 30.8 1.58 33.6 30.9 26.2 2.04 31.1 23.7 15.8 77 19.5 6.72 33.6 13.3 21.3 27.5 29.7 25.4 22.2 27.4 28.2 2.42 15.3 23.4 29.4 23.5 17.4 35.7 42.6 22.6 22.75 25.1 31.9 30.6 26.4 36.8 27.3 21.4 22.5 23.2 34.5 30.6 25.8 18.1 20 17.6 20.4 30 35 27.1 29.2 18.3 30.3 30.4 23.3 21.7 23.6 43.2 15.3 21.2 22.3 23.8 10 26 30.7 29.7 33.6 15.8 20.4 27.5 15.8 25.2 24.9 19.7 16.9 19.8 26.2 24.9 35.5 37.4 25.5 31.1 PC aa C34:4 2.19 2.56 4.56 0.829 1.23 3.71 1.32 1.29 0.686 3.83 1.05 3.55 2.58 2.9 6.14 3.37 2.5 2.33 3.63 2.11 1.78 6.14 1.81 2.21 4.66 1.34 2.23 2.44 5.56 3.285 1.38 2.64 2.86 1.72 2.08 2.21 5.04 2.1 2.13 6.41 4.28 3.51 2.61 4.73 3.61 6.05 4.72 3.16 3.8 4.57 3.15 2.9 2.49 3.03 2.83 2.4 2.76 2.62 2.72 3.83 2.59 6.38 1.44 3.17 3.42 2.93 2.77 2.65 5.24 3.36 2.97 2.6 4.57 1.1 2.18 3.6 3.83 4.48 2.44 3.75 3.71 2.53 4.05 3.7 2.29 3.19 3.185 3.39 3.47 4.82 4.62 4.82 2.9 PC aa C36:0 2.035 1.69 4.58 1.18 1.51 3.74 2.55 1.96 1.13 4.47 1.15 5.23 4.38 3.63 4.25 4.99 3.73 2.14 2.75 3.27 2.18 4.02 1.84 3.43 3.15 1.78 4.4 5.17 2.28 2.73 3.76 3.19 4.835 5.18 2.54 4.09 4.07 3.19 7.06 9.1 3.48 5.11 2.28 3.26 3.49 4.98 3.6 4.51 2.19 2.4 1.69 2.11 1.97 3.06 3.88 4.38 1.79 2.84 7.84 3.95 3.04 4.7 4.26 4.52 5.06 5.19 2.82 2.32 4.18 2.83 2.33 4.02 2.52 2.75 2.03 3.77 2.95 3.16 1.74 4.74 3.92 3.98 6.61 3.26 3.88 5.08 3.205 2.86 6.16 5.31 9.47 4.6 3.07 PC aa C36:1 30.5 37.2 56.8 12.3 20.9 55.3 22.7 24.6 18.1 68 24 51.2 41.8 20.4 58.6 56.8 28.6 23.6 52.4 70.3 27.6 85.8 25.3 18.1 57.2 28.1 37 35.7 80.8 70.25 28.9 49.4 50.55 8.02 29.8 48.3 66.1 36.7 50.5 56.8 80.4 51.3 57.5 77.7 44.8 54.7 64.5 54.1 29.2 47 51.3 70.7 28.7 46.8 37.1 36.7 30.9 36.9 51.1 67.1 40.4 53.8 35 67.5 59.5 50.1 48.1 39.5 81.2 39.1 46.2 30.5 55.8 31.2 57.4 49.3 47.2 35.8 33.4 44.6 44.8 34.7 64.8 38.8 37.9 52.9 40.95 61.2 54.3 53.4 85.5 51.4 53.4 PC aa C36:2 227.5 226 489 92.7 120 336 158 184 113 455 180 371 338 26.6 296 471 285 57 268 457 196 527 206 90.6 298 181 285 280 379 272.5 300 367 438.5 38 217 293 285 338 348 533 410 431 262 367 320 405 415 389 207 257 284 376 287 311 292 322 243 358 413 524 300 420 300 484 420 321 382 235 572 212 310 235 349 274 422 445 343 360 205 318 332 283 408 301 274 260 321.5 256 439 433 621 411 375 PC aa C36:3 113 168 303 54.4 82.6 189 74.6 103 74.3 300 118 196 201 18.6 238 256 149 32.4 175 259 125 279 130 48.4 175 124 170 169 223 179.5 159 202 223.5 23.8 148 201 177 215 158 272 240 211 177 241 182 196 276 231 135 126 190 204 142 155 151 157 142 171 175 270 173 209 150 276 192 175 201 146 344 142 201 129 182 102 279 252 217 242 126 194 241 141 236 189 150 135 178.5 151 198 222 259 174 207 PC aa C36:4 245 314 333 84.6 151 325 114 174 113 429 128 312 222 20.4 383 432 231 45.3 320 310 212 459 159 84 371 174 275 277 355 327 170 309 354 32 283 285 343 272 306 362 385 273 265 368 352 401 299 254 454 340 270 289 228 283 275 279 224 275 196 402 268 448 232 304 260 293 378 249 551 454 230 273 345 250 266 331 386 451 200 305 363 441 548 284 295 311 363.5 298 397 366 529 390 331 PC aa C36:5 14.2 18.6 26 8.18 16.1 31.2 33.9 11.4 6.57 136 8.41 73.4 34.7 7.82 38.6 28.1 19.1 7.75 31.4 20.5 18.5 68.9 16 16.9 47.8 22.3 44.7 38.8 36.7 25.5 36.3 27.1 21.45 6.71 13.4 19.7 39.8 19.2 30.6 65.6 51.7 40.1 40.4 95.3 53.7 56.4 24 42.3 26.7 31.7 24.1 25.3 20.8 42.8 26.9 25.6 17.2 23 78.2 42.5 28.7 40.8 32.5 27.3 87 34.8 21.3 27.5 37.4 26.7 19.3 21 42.4 11.1 19.6 23.6 32.4 27.7 18.8 34.2 24.5 72.3 32.4 21.6 38.9 44.9 25.7 35.8 32.6 57.1 99.3 54.2 27.7 PC aa C36:6 0.7485 0.932 1.64 0.372 0.622 1.32 1.13 0.47 0.312 2.85 0.396 2.08 1.82 3.79 2.18 1.32 1.05 3.61 1.11 0.731 0.761 2.07 0.908 9.93 2.14 0.658 1.89 1.47 1.87 1.25 1.32 1.17 1.24 1.75 0.689 0.857 1.92 0.741 1.54 4.07 1.6 2.07 1.17 2.85 2.05 2.99 1.47 1.62 1.15 1.29 0.682 0.749 0.787 1.27 1.09 1.25 0.818 1.06 3.27 1.3 1.12 2.11 0.958 1.35 3.11 1.5 0.863 1.03 1.83 1.06 1.11 1.25 1.62 0.42 0.702 1.28 1.26 1.28 0.869 1.62 1.18 1.61 1.42 1.17 1.37 2.2 1.13 1.45 1.63 2.45 2.61 2.16 1.03 PC aa C38:0 2.205 2.56 5.19 1.01 1.64 3.43 2.71 2.2 1.26 4.45 1.51 4.96 4.88 3.27 3.66 5.43 3.68 3.25 3.14 3.97 2.8 3.23 1.8 1.01 3.44 1.4 5.54 6.22 3.26 2.95 4.27 2.91 5.375 0.003 2.78 3.52 4.21 2.69 6.42 7.76 3.36 5.14 2.49 3.41 3.89 4.69 5.22 3.27 2.32 2.07 1.26 1.62 1.97 3.14 4.34 5.11 2.02 2.83 7.64 4.04 3.3 3.77 3.76 4.86 4.83 3.99 3.12 2.25 4.7 2.52 3.34 3.76 2.89 2.46 2.24 3.85 3.39 2.9 2.52 4.22 2.58 3.58 5.01 3.17 3.67 3.81 3.77 3.89 5.47 5.19 6.89 5.45 2.76 PC aa C38:1 0.94 1.31 1.19 0.441 0.444 0.639 0.684 0.597 0.235 0.795 0.42 1.38 0.837 4.01 0.849 1.51 1.01 0.248 0.97 1.44 0.497 1.12 0.369 0.976 0.795 0.451 1.52 1.63 1.36 0.97 1.05 0.837 2.17 2.57 0.862 1.25 1.3 0.813 1.98 2.25 0.815 1.19 1.11 1.16 1.41 1.54 1.92 1.05 0.691 0.652 0.572 0.6 0.425 0.897 1.51 1.53 0.429 0.465 1.73 1.2 1.02 1.26 1.24 1.42 1.41 1.21 0.747 0.63 1.33 0.686 0.81 0.978 0.938 0.684 0.833 1.07 0.717 0.82 0.638 1.07 0.324 0.776 1.28 0.641 0.835 0.861 0.9 0.913 1.37 0.906 2.02 1.06 0.379 PC aa C38:3 26.3 66.7 46.6 16.2 25.3 51.9 21 29.2 23.5 102 25.4 51.8 42.9 5.54 84 54 31.7 11.6 55 63.7 26.3 64.3 24.3 12.5 47.7 41.4 43.7 33.8 67.7 63.15 31 58.9 64.35 9.35 25.2 39.5 56.6 36.5 48.4 74.7 75.2 84 64.6 66.3 55.4 38.4 66.5 70.6 29.9 35.3 53.8 57.3 36 54.5 37 50.8 44 38.7 47.9 73 37.2 51.9 37 65 54.3 53.9 49.7 48 103 39.7 80.8 32.3 44.6 22.8 63.7 75.9 70.2 49.5 39.5 51.9 57.2 42.2 105 47 49.7 47.7 57.95 57.5 64.3 61.6 83.1 58.5 61.2 PC aa C38:4 146 200 132 42.6 82.2 158 65.7 100 64.2 206 68.7 141 102 10.6 205 227 101 19.9 152 207 117 186 75.1 38.9 167 91.4 154 117 149 160.5 85.7 144 251.5 19.6 134 163 172 128 188 189 195 177 132 186 184 181 163 148 199 165 129 146 103 151 154 180 134 131 108 187 118 201 109 158 123 141 239 137 286 207 149 123 162 124 143 178 182 186 109 159 176 255 347 145 160 170 224.5 159 228 180 262 225 157 PC aa C38:5 51.15 74.8 74.8 24.3 37.9 74.8 39.4 40.4 31.2 170 38 88.9 64 8.87 97.1 99.6 47.2 13.8 74.5 91.2 62.9 118 45.7 20.1 95.9 44.9 73.6 65.3 83.5 70.7 60.5 66.2 96.15 9.05 63.7 83.2 83.7 73.7 78.8 101 107 73.4 74.1 133 88.5 91.9 84.7 75.7 85.4 65.4 57.8 69.8 45 70 66.7 71.1 62.4 52.5 92.9 85.4 56.1 82.1 52.4 75 108 63.2 100 66.6 130 80.7 57.4 60.8 79 33.4 76.2 74.2 69 95.1 52.2 84.6 75.2 91.1 107 69.6 78 80.4 77 76.9 96.9 88.6 144 93.1 79.7 PC aa C38:6 65.75 86.6 96.6 30.1 51.8 97 61.2 50.1 29.4 206 36.5 132 116 6.91 102 127 84.4 15.9 87.2 80.3 61.3 90.1 57.7 22.3 133 52.8 142 135 80.1 125.5 124 105 108 11.1 65.7 60.5 103 66.6 192 175 93.5 114 80.9 167 176 143 57.5 95.3 85.6 79.2 35.8 48.2 66 74.9 70.5 117 52.3 92.1 184 98.3 87.2 118 100 98.4 187 109 71.5 70.5 143 80.9 78 131 84.3 52.3 51 105 101 91.9 57.6 97.8 106 102 139 63.9 115 175 92.1 111 144 140 181 133 82.5 PC aa C40:1 0.3165 0.41 0.617 0.208 0.278 0.503 0.364 0.296 0.283 0.587 0.294 0.666 0.511 2.21 0.34 0.581 0.578 2.75 0.377 0.514 0.452 0.705 0.352 1.33 0.368 0.225 0.691 0.675 0.404 0.3575 0.502 0.368 0.933 1.32 0.37 0.34 0.346 0.343 0.584 0.897 0.48 0.661 0.422 0.452 0.47 0.497 0.473 0.373 0.35 0.278 0.254 0.259 0.246 0.336 0.389 0.613 0.29 0.362 0.751 0.49 0.46 0.443 0.445 0.527 0.628 0.33 0.437 0.342 0.583 0.353 0.341 0.529 0.478 0.31 0.351 0.461 0.508 0.419 0.344 0.407 0.31 0.417 0.366 0.386 0.404 0.355 0.44 0.544 0.57 0.534 0.789 0.525 0.359 PC aa C40:2 0.207 0.253 0.466 0.141 0.17 0.347 0.188 0.216 0.28 0.472 0.215 0.459 0.289 1.48 0.254 0.468 0.782 1.02 0.287 0.419 0.304 1.34 0.174 0.352 0.246 0.134 0.378 0.334 0.256 0.2435 0.266 0.199 2.195 0 0.213 0.262 0.215 0.238 0.291 0.629 0.277 0.403 0.436 0.328 0.334 0.44 0.405 0.284 0.146 0.173 0.204 0.187 0.173 0.279 0.233 0.354 0.159 0.229 0.602 0.471 0.234 0.276 0.365 0.327 0.336 0.247 0.297 0.198 0.422 0.259 0.217 0.333 0.445 0.144 0.277 0.334 0.241 0.332 0.24 0.25 0.192 0.322 0.259 0.256 0.221 0.19 0.298 0.295 0.408 0.442 0.669 0.488 0.265 PC aa C40:3 0.264 0.405 0.628 0.185 0.267 0.465 0.29 0.248 0.327 0.805 0.267 0.72 0.389 0 0.482 0.553 0.872 1.08 0.465 0.644 0.289 1.83 0.227 0 0.452 0.243 0.538 0.505 0.514 0.4595 0.294 0.451 1.91 0.727 0.331 0.451 0.39 0.445 0.498 0.747 0.41 0.613 0.572 0.564 0.55 0.534 0.635 0.452 0.23 0.341 0.354 0.233 0.273 0.408 0.438 0.47 0.342 0.378 0.756 0.599 0.375 0.526 0.556 0.586 0.548 0.393 0.561 0.372 0.908 0.374 0.382 0.465 0.646 0.246 0.54 0.555 0.483 0.333 0.378 0.415 0.357 0.698 0.583 0.501 0.402 0.337 0.4545 0.464 0.559 0.698 1.23 0.553 0.465 PC aa C40:4 2.35 4.97 3.53 1.28 1.98 5.08 1.63 2.55 2.41 6.3 2.12 3.69 2.55 2.15 6.19 4.99 3.29 0.645 5.81 6.23 2.01 6.36 1.97 3.01 4.11 2.3 3.02 2.59 4.85 6.45 1.81 3.7 6.945 1.06 2.39 3.53 5.17 3.9 3.5 4.62 6.55 3.79 5.16 5.03 3.46 4.31 5.88 3.91 2.93 4.84 5.51 4.87 2.93 5.39 3.29 3.66 3.84 2.66 2.48 4.48 2.39 5.05 2.8 3.99 2.85 2.88 4.9 3.57 7.2 3.55 4.97 3.04 4.12 2.26 4.37 4.94 4.4 4.31 2.99 4.25 4.24 4.18 8.57 4.65 4.46 4.08 5.32 5.59 5.08 5.16 6.55 4.57 6.14 PC aa C40:5 5.225 12.5 9.28 3.41 5.7 11.4 4.6 5.55 5.63 30.9 5.53 11.1 8.87 2.11 15.1 11.9 5.95 4.06 14.8 16.4 6.18 19.2 5.84 3.56 12.8 7.42 8.17 6.21 12.4 14.2 7.48 11.6 14.8 1.82 6.01 7.57 12.4 9.79 11.2 13.7 17.5 11.8 14.6 21 13 10.5 12.9 11.7 7.78 10.2 10.7 12.6 7.13 13 7.6 9.3 10.3 5.97 10.5 10.6 6.32 12.2 7.48 8.6 16.1 7.25 13.1 11.4 20.5 9.43 13.5 7.76 9.65 4.49 10.3 12.1 11.2 11.5 8.26 10.4 11 9.65 21 10.7 13.6 12.7 12.7 17.5 15.5 12.6 21.2 13.9 15.3 PC aa C40:6 23.8 29.4 26 10.2 19.7 37 21.5 17.7 12.1 75.9 12.1 40.5 32.8 2.42 35.7 40.2 24.8 4.65 32.7 37.9 19 24.9 18.6 9.14 38.8 20.9 44.8 36.3 21.9 46.85 37.1 34.9 40.65 6.03 17.1 20 35.1 20.4 72.5 61.6 35.3 43.1 32.5 55.8 61.6 41.9 20.6 36.9 25.1 25.2 11.6 20.8 20.7 28.2 20.9 45.6 16.1 24.2 58.3 29 21.7 33.7 30.4 26.8 60.3 33.7 24.2 29 47.9 22.3 34.6 37.7 22.4 14.4 17.4 35.6 31.4 25.4 19.9 31.3 33.8 33.4 57.3 22.9 39.1 57.8 32.7 48.3 50.6 42.8 59.9 47.6 28.1 PC aa C42:0 0.3805 0.568 1.04 0.185 0.281 0.719 0.399 0.284 0.299 1.11 0.291 0.933 0.754 2.37 0.427 0.656 0.808 2.02 0.524 0.599 0.588 0.944 0.303 0.396 0.471 0.237 1.03 0.931 0.577 0.4505 0.758 0.606 1.19 0.908 0.411 0.353 0.515 0.584 0.97 1.36 0.641 0.945 0.619 0.62 0.663 0.544 0.687 0.67 0.314 0.232 0.213 0.314 0.355 0.408 0.578 0.72 0.347 0.513 1.14 0.827 0.831 0.596 0.624 0.822 0.915 0.512 0.703 0.501 0.935 0.455 0.451 0.757 0.641 0.28 0.438 0.713 0.858 0.429 0.476 0.584 0.473 0.645 0.501 0.507 0.537 0.351 0.584 0.773 0.721 1.01 0.987 0.703 0.505 PC aa C42:1 0.238 0.349 0.589 0.113 0.145 0.429 0.187 0.148 0.181 0.494 0.162 0.455 0.398 0.349 0.253 0.447 0.39 2.33 0.321 0.363 0.283 0.555 0.155 1.76 0.292 0.112 0.621 0.594 0.301 0.2815 0.42 0.267 0.6875 2.9 0.277 0.265 0.267 0.338 0.541 0.723 0.354 0.575 0.428 0.338 0.338 0.304 0.373 0.361 0.273 0.182 0.144 0.182 0.228 0.299 0.333 0.533 0.209 0.27 0.567 0.475 0.41 0.456 0.307 0.455 0.598 0.24 0.363 0.242 0.585 0.262 0.264 0.482 0.361 0.217 0.266 0.383 0.497 0.269 0.296 0.361 0.211 0.323 0.321 0.301 0.288 0.246 0.4025 0.423 0.55 0.556 0.604 0.423 0.298 PC aa C42:2 0.1585 0.154 0.309 0.094 0.126 0.309 0.144 0.147 0.182 0.333 0.185 0.344 0.26 0.968 0.245 0.323 0.426 0 0.239 0.275 0.269 0.474 0.155 0.945 0.286 0.1 0.282 0.397 0.334 0.2785 0.224 0.172 0.6495 0.862 0.214 0.198 0.184 0.233 0.439 0.659 0.277 0.445 0.22 0.196 0.273 0.465 0.291 0.308 0.139 0.274 0.185 0.13 0.156 0.252 0.263 0.486 0.152 0.224 0.441 0.309 0.279 0.4 0.226 0.289 0.323 0.224 0.212 0.17 0.317 0.191 0.192 0.549 0.422 0.202 0.181 0.249 0.24 0.193 0.173 0.483 0.178 0.564 0.258 0.217 0.204 0.536 0.237 0.239 0.394 0.49 0.454 0.55 0.19 PC aa C42:4 0.14 0.175 0.243 0.074 0.078 0.177 0.101 0.104 0.117 0.212 0.125 0.22 0.168 0.255 0.161 0.223 0.441 0.322 0.181 0.212 0.132 0.629 0.101 1.18 0.151 0.073 0.201 0.145 0.175 0.212 0.121 0.156 0.904 0.862 0.169 0.175 0.15 0.17 0.193 0.288 0.218 0.228 0.208 0.182 0.168 0.204 0.221 0.163 0.107 0.145 0.134 0.099 0.105 0.202 0.145 0.194 0.135 0.172 0.187 0.236 0.14 0.183 0.165 0.183 0.135 0.112 0.205 0.121 0.299 0.148 0.142 0.157 0.245 0.117 0.153 0.198 0.163 0.15 0.1 0.167 0.118 0.191 0.201 0.178 0.142 0.145 0.1865 0.166 0.169 0.269 0.308 0.169 0.184 PC aa C42:5 0.175 0.261 0.292 0.094 0.133 0.287 0.154 0.165 0.178 0.606 0.191 0.385 0.326 1.64 0.312 0.31 0.432 1.87 0.34 0.312 0.19 0.587 0.179 0.601 0.349 0.114 0.377 0.23 0.275 0.3925 0.235 0.379 0.742 0 0.206 0.193 0.303 0.284 0.457 0.434 0.327 0.397 0.424 0.548 0.386 0.348 0.362 0.314 0.183 0.243 0.204 0.176 0.246 0.353 0.246 0.263 0.216 0.185 0.475 0.286 0.213 0.345 0.392 0.297 0.36 0.214 0.349 0.243 0.532 0.221 0.286 0.272 0.393 0.134 0.279 0.419 0.324 0.279 0.217 0.228 0.329 0.36 0.338 0.257 0.296 0.382 0.307 0.313 0.318 0.372 0.719 0.329 0.404 PC aa C42:6 0.3125 0.533 0.458 0.24 0.298 0.497 0.334 0.32 0.347 1.07 0.303 0.576 0.425 2.1 0.589 0.529 0.446 3.28 0.5 0.541 0.319 0.631 0.271 0.214 0.511 0.163 0.466 0.612 0.399 0.568 0.366 0.425 0.76 5.44 0.301 0.412 0.405 0.353 0.481 0.786 0.581 0.61 0.604 1.56 0.601 0.555 0.638 0.459 0.348 0.347 0.329 0.292 0.224 0.704 0.366 0.554 0.323 0.292 0.637 0.466 0.328 0.491 0.416 0.527 0.531 0.278 0.47 0.466 0.825 0.428 0.439 0.545 0.413 0.25 0.449 0.533 0.414 0.423 0.342 0.449 0.39 0.568 0.501 0.389 0.438 0.535 0.554 0.551 0.543 0.661 0.837 0.593 0.427 PC ae C30:0 0.177 0.22 0.43 0.102 0.102 0.364 0.168 0.162 0.127 0.239 0.184 0.332 0.338 2.49 0.289 0.364 0.246 4.56 0.178 0.237 0.203 0.374 0.153 2.31 0.192 0.111 0.211 0.232 0.499 0.2225 0.168 0.208 0.2495 3.17 0.17 0.126 0.221 0.198 0.237 0.497 0.265 0.237 0.299 0.28 0.248 0.275 0.522 0.204 0.142 0.111 0.188 0.217 0.107 0.142 0.219 0.169 0.202 0.271 0.252 0.329 0.263 0.19 0.173 0.386 0.274 0.309 0.249 0.153 0.481 0.23 0.162 0.194 0.559 0.102 0.275 0.346 0.34 0.205 0.321 0.193 0.262 0.16 0.178 0.171 0.129 0.185 0.165 0.288 0.259 0.333 0.378 0.229 0.206 PC ae C30:1 0.1135 0.073 0.294 0.083 0.078 0.202 0.094 0.096 0.08 0.138 0.135 0.218 0.248 1.37 0.096 0.234 0.171 1.7 0.168 0.12 0.114 0.241 0.092 0.875 0.152 0.114 0.141 0.222 0.319 0.2045 0.128 0.13 0.1925 0.813 0.123 0.088 0.142 0.097 0.164 0.352 0.184 0.177 0.16 0.155 0.135 0.231 0.037 0.121 0.078 0.075 0.114 0.198 0.067 0.131 0.145 0.195 0.116 0.12 0.244 0.193 0.159 0.138 0.071 0.121 0.168 0.378 0.17 0.091 0.391 0.171 0.119 0.162 0.183 0.047 0.139 0.326 0.272 0.171 0.181 0.128 0.177 0.183 0.146 0.115 0.113 0.17 0.0745 0.162 0.327 0.317 0.312 0.261 0.202 PC ae C30:2 0.0605 0.062 0.147 0.032 0.034 0.095 0.045 0.066 0.044 0.093 0.059 0.108 0.101 0.46 0.088 0.147 0.093 0.266 0.051 0.074 0.073 0.132 0.053 0.714 0.065 0.039 0.068 0.082 0.116 0.0665 0.066 0.078 0.1535 0.427 0.061 0.072 0.058 0.054 0.062 0.144 0.093 0.074 0.075 0.069 0.103 0.099 0.073 0.077 0.058 0.043 0.055 0.064 0.048 0.053 0.056 0.078 0.066 0.086 0.084 0.162 0.073 0.06 0.066 0.089 0.092 0.114 0.088 0.072 0.123 0.079 0.054 0.057 0.109 0.041 0.096 0.097 0.089 0.07 0.08 0.068 0.089 0.083 0.083 0.069 0.067 0.04 0.0565 0.084 0.101 0.095 0.152 0.087 0.097 PC ae C32:1 2.73 2.37 6.5 1.06 1.16 4.09 2.37 2.24 1.55 4.23 1.69 4.93 4.88 5.18 3.04 5.4 4.61 4.81 3.81 4.72 2.44 5.94 2.6 2.18 3.66 1.63 4.18 4.73 5.49 4.215 2.97 3.97 4.98 2.48 2.83 2.75 3.96 4.34 4.79 7.2 3.84 4.14 4.09 2.46 3.75 4 5.19 4.21 1.71 2.33 2.51 3.04 2.16 2.74 4.43 3.45 2.49 3.36 4.98 5.81 4.67 4.94 3.68 6.09 4.34 5.2 4.41 2.4 6.85 2.85 2.75 6.02 4.65 2.79 3.16 4.46 5.37 2.98 4.27 4.11 4.4 4.75 4.81 3.56 3.03 3.92 3.735 4.63 5.35 6.54 7.1 4.53 4.14 PC ae C32:2 0.7225 0.659 1.99 0.35 0.417 1.13 0.657 0.657 0.473 1.1 0.528 1.72 1.37 0.968 1 1.53 1.18 2.33 0.865 1.28 0.804 1.47 0.736 2.52 1 0.461 1.03 1.21 1.77 1.135 0.84 1.09 1.425 3.45 0.746 0.932 0.907 1.18 1.07 3.32 1.22 1.19 1.21 0.605 1.06 1.67 1.05 1.34 0.634 0.749 0.605 0.807 0.678 0.776 1.17 1.08 0.721 0.889 1.58 1.23 1.05 1.4 1.01 1.58 1.32 1.39 1.16 0.701 1.68 0.911 0.652 1.45 1.81 0.617 1.05 1.3 1.27 0.896 0.963 1.3 1.04 1.27 1.23 1.05 0.854 1.13 0.8005 1.24 1.57 2.22 2.07 1.24 1.24 PC ae C34:0 1.265 1.18 2.92 0.56 0.575 2.77 1.01 1.23 0.732 1.8 0.749 2.11 2.05 5.74 2.1 2.89 1.43 12.8 1.6 1.63 1.06 2.91 1.05 3.45 1.84 0.824 1.64 1.75 3.41 1.92 1.27 1.88 1.82 3.46 1.03 1.32 2.14 1.52 1.75 2.67 2.09 2.16 2.47 2.23 2.17 2.28 2.26 1.59 1.11 1.01 1.67 1.68 1.05 1.29 1.77 1.61 1.43 1.67 2.35 2.64 1.82 1.88 1.55 3.91 2.15 2.56 1.87 1.27 3.85 1.8 1.01 1.37 3.49 1.21 2.41 2.42 2.66 1.41 2.2 2.05 2.3 2.31 1.8 1.66 1.26 2 1.285 2.41 2.37 2.57 3.69 1.75 1.82 PC ae C34:1 8.42 7.84 22.8 3.37 4.26 13 6.07 6.76 4.23 11.6 6.49 14.5 14.7 5.83 13.7 18.7 12.1 12.6 10.3 13.9 7.91 19.5 7.67 3.49 11.9 5.83 12.3 11.3 19.8 12.05 9.37 13.9 13.4 9.04 8.58 8.6 12.7 11.6 11.1 18.9 15.6 12.6 14 13.2 12.9 11.6 21.9 11.7 8.29 6.2 11.1 10.7 7.98 8.3 11.4 9.39 9.76 10.4 15.1 17.2 14.3 12.3 11.5 25.8 15 15.8 12.8 8.66 25.3 11.6 8.67 9.42 17.1 7.57 16.8 16.8 15.3 9.34 12.8 10.6 12.7 12.7 12.5 9.11 8.35 9.64 10.55 15.3 15 15.9 19.5 11.3 13.1 PC ae C34:2 12.85 10.2 33.6 4.24 4.69 19.7 8.87 13 5.08 14 7.35 19.7 24.9 4.87 15.3 30.2 17.5 7.81 14.3 22.9 10.2 21.3 9.68 3.08 12.5 6.16 11.8 16.4 26.9 9.355 12.7 14.9 18.6 4.73 13.6 12.1 19.5 18.4 15.2 37.5 16.1 17.7 12.1 10.7 14.5 20.5 24.1 19.3 8.52 8.1 14.9 11.3 9.95 14.7 20.4 13.5 13.5 17 20.3 24.2 18.5 18 16.2 35.6 22.8 20.6 17.9 9.03 33 15.6 10.9 13.9 19.3 12 23.7 25.9 18.9 16.8 14.7 17.3 14.8 12.8 19.5 16.4 12.3 10.6 15.35 14.5 28.7 27.8 34.5 24.8 22.3 PC ae C34:3 12.15 6.59 25.9 4.07 4.2 15.3 7.15 9.15 3.24 12.4 4.23 15 18.8 4.84 12.8 22.8 14.3 3.49 14 16.1 8.27 23.2 6.82 4.1 11.6 5.45 7.19 13.6 24.5 8.42 8.89 9.84 15.6 4.74 11.2 15.9 16.6 16.8 14.1 31.6 17.1 14 9.13 7.6 8.2 17.9 14.8 18.2 5.07 8.27 10.5 11.5 6 11.1 20.6 13.3 9.1 11 20 22.4 16.1 18.3 18.9 25.5 17.7 21.9 13.9 7.01 20.6 10.7 9.79 15.1 12.1 13.1 13.4 19 15.6 10.2 9.22 16.9 14.4 10.3 22.4 13.6 11.9 10.5 11.25 10.1 22.1 21.7 38.5 15.3 22.7 PC ae C36:0 0.655 0.583 1.41 0.325 0.343 1.06 0.669 0.641 0.488 1.28 0.487 1.42 0.976 5.36 1.02 1.58 0.696 4.33 1.17 0.995 0.618 2.07 0.554 1.43 1.38 0.428 0.912 1.16 1.4 1.415 0.673 0.937 1.15 3.86 0.619 0.855 1.02 0.773 1.28 1.71 1.03 1.3 1.11 1.35 0.96 1.4 1.26 0.957 0.544 0.847 0.775 0.807 0.643 0.783 0.889 1.34 0.651 0.782 1.44 1.26 0.718 1.31 1.02 1.45 1.23 1.13 0.86 0.642 1.37 0.721 0.789 1.65 1.19 0.555 0.92 0.965 1.03 0.702 0.762 1.19 1.09 1.78 1.11 0.886 0.752 2.02 0.6705 1.1 1.21 1.69 1.85 1.21 0.959 PC ae C36:1 6.12 6.87 13 3.01 2.99 9.73 4.08 5.28 3.78 9.57 5.23 9.54 9.24 4.23 11 13.1 17.1 8.6 6.85 7.5 6.61 29 4.55 7.47 9.92 4.5 7.3 6.72 15.3 8.085 6.43 9.05 20.4 8.45 5.81 7.58 8.44 7.3 7.46 13.9 10.7 9.7 9.41 11 9.28 9.73 10.4 8.81 7.13 5.95 7.46 6.93 5.3 6.39 6.73 6.18 5.7 8.4 10.3 9.97 9.19 7.87 7.28 17.1 12.6 12.3 10.2 6.88 17.7 9.3 5.52 5.87 13.7 5.34 11.9 10.3 9.35 7.1 9.65 7.83 7.49 7.76 8.26 6.54 6.94 7.25 6.59 10.9 10.7 9.6 15.5 8.46 9.3 PC ae C36:2 13.3 11.3 35.7 5.94 5 20.9 8.58 11.4 6.64 17.4 10.2 20.5 24.4 5.87 18.8 32.2 17.7 6.71 12 17.6 14.1 25.9 10.6 3.9 15.1 8.16 14.8 15.7 25.5 10.08 19 16.2 21.85 5.8 12.7 15.4 14.9 18.7 16.6 39 19.9 23.6 14.7 16.8 19.5 24.7 22.2 18.4 14.9 9.08 13.8 12.8 12.7 12.4 18.8 14.1 14 23.1 25 23.2 21.3 18.2 18.4 42.3 23.6 23 21.8 12.4 40 14.8 10.5 11.8 24.8 13.2 28.9 24.3 18.4 17.4 17.4 19.3 17.8 19.6 17.1 14.2 13.9 10.9 13.85 16 24.1 22.7 30.3 18.9 19.5 PC ae C36:3 7.96 8.24 20.2 3.3 3.28 11.9 5.76 8.11 4.04 9.87 5.01 12.6 16.3 4.04 14 19.1 11.2 2.52 11 14.6 8.11 17 6.51 1.91 8.86 4.61 8.24 12.2 17.8 7.135 8.86 10.4 13.55 2.28 8.46 9.73 13.3 12 9.91 21.5 13.3 12.1 8.64 8.65 8.89 12.6 18.9 12.9 6.01 5.54 9.19 8.51 6.24 9.97 12.8 9.56 9.4 8.95 13.1 15.8 11.7 13 12.2 23.8 12.7 12.9 11.9 6.79 20 9.36 8.63 8.35 12 7.68 16.7 16.3 12.3 10.7 9.18 12.5 10.5 9.31 14.4 11.1 7.63 7.07 10.03 8.38 18.2 16.1 21.9 14 15 PC ae C36:4 19.75 24.7 38.5 6.83 9.21 28.7 14.2 20.6 9.75 20.6 10.6 28.3 28.2 2.98 44.6 40.1 26.3 9.28 29.6 31.5 17.6 29.2 11.8 8.9 26.1 10.8 26.8 26.7 34.3 20.95 14.5 21.8 34.1 7.06 27 26.1 35.5 31.9 34.3 44.1 30.1 28.4 19.5 16.6 24.4 40.1 44.6 26.6 22 20.3 23.5 17.5 17 22.7 39 22.7 23.9 24.4 23.3 33.4 24.7 38.6 24 44.2 22.3 26.8 31.2 20.4 50.3 30.1 24.9 24 28.3 26.5 28.3 32.1 35.4 30.4 22.5 32.2 25.6 30.3 48.5 28.7 22.9 22.9 33.4 23.6 42.2 37.5 53.8 39.7 29.2 PC ae C36:5 13.95 12.9 27.2 4.51 7.5 22.5 11.4 11.7 6.49 17.3 6.09 22.4 19 3.87 32.8 26.3 19.4 5.81 22 20.9 12.5 24.3 8.27 5.36 23.4 9.18 16.7 18.9 26.3 17.1 12.1 14.1 26.25 2.59 17 31.6 25.9 20.9 26.3 36.4 24.1 21.1 12.4 10.9 14.1 30.7 24.3 23.9 15 18.3 16.3 13.4 10.6 16.6 29.8 15.6 11.4 15.2 21.1 24.2 19 30.3 20.4 25.1 18.4 25.8 22.7 14.9 31.4 21.9 15.4 20.9 16.5 18.5 12.1 18.6 21.8 17.3 13.2 28 21.1 27.3 47.8 21.3 21.1 21.2 21.1 16.1 30.7 28.3 51.5 23.6 25.5 PC ae C38:0 1.545 1.79 3.32 0.909 1.28 2.44 2.45 1.23 0.771 6.59 1.03 3.56 3.5 2.97 3.33 3.12 2.35 3.1 2.03 1.82 1.83 3.95 1.88 3.06 3.22 1.53 4.17 3.7 2.73 2.205 3.44 2.51 3.235 0.57 1.72 2.43 2.76 2.07 4.05 5.82 3.01 3.3 2.22 4.11 3.46 3.96 2.3 2.6 2.12 1.72 1.41 1.41 1.98 2.72 2.1 2.59 1.58 2.1 6.12 3.64 2.21 2.9 2.05 3 4.69 2.69 1.93 2.03 3.66 1.78 1.92 2.31 2.18 1.25 1.64 2.4 2.43 2.39 1.61 3.31 2.46 3.4 2.93 2.02 2.89 3.31 2.29 2.77 3.19 3.98 5.03 3.52 2.13 PC ae C38:1 0.011 0.07 0.622 0.178 0.151 0.35 0.134 0.235 0.461 0.55 0.009 0.597 0.401 2.77 0.19 0.484 4.25 2.09 0.306 0.657 0.381 6.5 0.153 0.008 0.147 0.006 0.223 0.397 0.462 0.3125 0.209 0 5.83 2.31 0.152 0.018 0.443 0.26 0.593 0.802 0.225 0.466 0.608 0.445 0.463 0.278 0.368 0.385 0.261 0.115 0.241 0.002 0.29 0.016 0.083 0.723 0.199 0.029 0.647 0.134 0.167 0 0.332 0.506 0.392 0.013 0.334 0 0.273 0.411 0 0.486 0.212 0 0.384 0.228 0.058 0.298 0.305 0.399 0.048 0.397 0.231 0.049 0.13 0.577 0.224 0.062 0.485 0.622 0.283 0.255 0.02 PC ae C38:2 1.36 1.48 3.11 0.9 0.78 2.63 1.12 1.5 1.28 3.09 1.27 2.9 2.21 1.5 2.03 2.91 5.7 0 1.62 2.4 1.79 9.77 1.11 1.96 1.74 1.16 2.7 1.93 3.31 1.395 2.04 1.89 8.53 3.78 1.1 1.9 1.66 1.9 2.2 4.51 2.53 3.36 1.75 2.59 2.23 3.2 2.98 2.49 1.25 1.19 1.9 1.6 1.46 1.55 2.12 1.85 1.58 2.41 2.87 3.42 2.12 2.04 2.05 4.14 2.53 1.93 2.68 1.65 4.26 1.42 1.69 1.95 2.69 1.45 3.12 2.76 1.79 1.98 1.92 2.2 1.87 3.12 2.23 1.97 1.61 1.65 1.93 1.88 2.6 3.16 3.54 2.41 2.23 PC ae C38:3 2.925 4.45 6.41 1.77 1.65 4.7 1.9 2.82 2.76 5.25 2.71 5.02 5.08 2.3 6.47 6.19 13 2.57 3.65 4.55 3.19 23 2.42 3.88 3.84 2.52 3.87 3.7 7.61 3.64 3.32 4.55 18.8 0.085 3 3.76 4.09 3.88 3.99 8.06 5.39 6.07 4.95 4.9 4.92 4.32 6.59 5.27 3.52 2.44 3.4 2.98 2.99 3.17 3.83 3.62 3.91 4.38 4.38 5.49 4.36 4.42 3.68 9.14 4.67 5.21 5.02 3.52 10.5 4.32 3.58 3.15 6.04 2.43 6.78 6.24 5.47 4.33 5.05 4.78 4.58 5.06 6.16 3.93 3.51 3.08 3.935 4.43 5.41 5.69 6.83 4.67 4.6 PC ae C38:4 16.25 17.1 27.9 5.32 5.84 20 8.22 12.8 8.04 13.9 8.96 18.1 17.2 1.01 23.7 32.1 16.8 8 16.9 19.5 15.4 23 8.65 1.89 15.1 8.14 18.6 17.5 25.4 16.2 11 15.8 25.85 3.02 18.4 20.9 19.8 18.3 20.6 25.4 21.1 19.3 15.2 15.2 18.5 22 30.1 15.1 19.5 11.8 14.3 11.9 12.8 13.8 22.6 15 15.6 16.9 13.3 21.5 16.8 19.8 14.9 32 12.8 18.5 25.8 14.7 36 23.4 15 14.6 27.4 16.6 22.8 22.6 24 17.9 18.2 19.9 18.3 25.7 27.7 18.3 14.3 13.2 20.3 18.3 25.4 22.4 28.9 20.8 18.9 PC ae C38:5 17.2 20 41.8 6.8 10.7 26.1 13.8 18.3 10.8 23.6 12.2 29.6 28.1 3.85 34 42.4 24 6.34 27.7 33.9 19.9 28.5 13.8 8.23 24.2 11.4 29.7 30.4 31.8 24.1 18.5 23.6 36.35 7.53 24.5 32.3 29.9 27.8 30.5 40.3 33.4 27.7 20.6 22.1 22.4 31.8 47.5 23.7 21.9 17 17.7 18.5 17.5 21.1 36.2 24.4 23.5 21.4 25.8 31.6 24.3 31.6 24.4 39 22.3 24.9 32.2 19.2 42.4 26.9 21.3 22.1 27.5 21.5 27.5 30.7 28 27.7 20.6 28.9 24.3 31.7 41.7 26.1 21.2 20.9 29.6 22.5 37.5 32.5 47.5 31.5 26.2 PC ae C38:6 6.82 7.19 14.4 2.84 4.34 10.7 7.16 6.31 3.61 12.3 3.98 14.7 12.9 4.42 14.2 16.2 10.3 5.57 11 11.5 7.49 10.1 5.54 2.44 11.2 5.01 12.7 14.9 12.5 8.9 10.3 9.37 14.8 2 8.96 13.4 14 9.48 15.9 22.3 13.3 12.6 7.01 9.54 10.7 15.9 14.2 11.5 7.69 7.23 5.71 6.72 6.28 9.28 15.3 11.4 6.78 8.27 17.6 12.7 9.2 13.6 10.6 14.2 13.5 12.4 11.9 7.45 15.4 8.86 8.45 10.1 8.57 7.92 7.14 10.6 10.6 9.91 6.73 13.3 9.33 12.3 19 10.7 10.9 11.3 10.75 9.97 15.5 15.2 25.6 15.8 10.2 PC ae C40:1 1.03 1.05 2.01 0.577 0.849 1.93 1.08 0.871 0.606 3.99 0.67 1.67 1.6 0 1.87 2.2 1.59 0.065 1.28 1.46 1.11 2.93 0.919 3.45 1.55 0.769 2.01 2.1 1.7 1.18 1.54 1.28 2.865 1.28 1.35 1.78 1.74 1.38 2.43 2.76 1.62 1.67 1.49 1.81 1.64 2.58 1.51 1.26 1.76 1.26 1.14 0.814 1.12 1.56 1.35 1.57 0.974 1.27 2.28 3.02 1.1 2.07 1.09 2.1 1.76 1.5 1.69 1.31 2.73 1.71 1.16 1.77 1.24 1.26 1.34 1.57 1.55 1.65 0.997 2.16 1.36 2.01 1.92 1.28 1.64 1.72 1.845 1.59 2.11 2.23 3.09 2.16 1.27 PC ae C40:2 1.039 0.953 2.1 0.58 0.476 1.16 0.735 0.736 0.673 1.89 0.585 1.81 1.35 0.365 1.6 1.7 1.89 2.72 1.21 1.37 0.823 3.37 0.617 1.12 1.54 0.678 1.61 1.51 1.7 1.43 0.779 1.84 3.085 1.72 0.833 1.1 1.13 1.06 1.84 3 1.18 1.42 1.31 1.79 1.57 1.56 1.14 1.36 0.991 0.829 0.67 0.745 1.04 0.991 1.3 1.15 1.01 1.5 2.18 1.46 1.39 1.47 1.48 1.98 1.71 1.74 1.61 1.04 2.16 1.23 0.802 1.26 1.55 0.794 1.57 1.63 1.54 1.03 1.58 1.37 1.22 1.89 1.26 1.19 1.22 1.1 0.916 1.32 1.57 1.83 2.66 1.64 1.42 PC ae C40:3 0.795 0.963 1.7 0.524 0.457 1.1 0.533 0.693 0.95 1.41 0.598 1.31 1.24 0.943 1.17 1.43 5.07 1.51 0.971 1.17 0.836 7.85 0.592 1.15 0.815 0.511 1.12 1.11 1.24 0.961 0.772 1.18 10.11 0.065 0.786 0.833 0.768 0.928 1.1 1.81 1.14 1.31 0.981 1.21 0.838 1.13 1.37 1.22 0.714 0.542 0.684 0.612 0.757 0.707 0.806 0.894 0.83 0.989 1.34 1.31 1.04 0.984 0.887 1.54 1.12 0.862 1.1 0.687 1.67 0.894 0.731 1.07 1.2 0.638 1.2 1.28 1.18 0.994 0.971 0.92 0.996 1.27 0.999 1.02 0.799 0.829 0.832 0.9 1.17 1.38 1.46 1.04 1.07 PC ae C40:4 2.135 2.5 4.14 0.902 0.939 2.8 1.24 1.74 1.52 2.63 1.56 3.01 2.72 0.197 2.81 3.94 5.08 1.9 2.52 2.78 2.51 8.73 1.21 0.893 2.03 1.11 2.87 3.05 3.21 2.28 1.74 2.52 8.3 2.92 2.41 3.03 2.28 2.61 3.09 3.89 3.08 3.48 2.54 2.41 2.39 3.02 4.09 2.58 1.77 1.62 1.97 1.64 1.66 2.03 2.73 2.67 2.49 2.38 2.24 3.34 2.75 3.02 2.05 4.21 1.86 2.04 3.54 1.87 4.61 2.33 2.2 2.81 4.33 2.23 3.02 3.07 3.51 2.12 2.62 2.84 2.41 3.87 3.08 2.73 1.91 2.36 2.73 2.68 3.22 3.58 3.73 2.65 2.62 PC ae C40:5 3.17 4.13 7.05 1.42 1.56 4.78 2.13 2.61 2.51 5.15 2.46 5.72 4.94 2.29 4.73 6.73 9.4 3.39 4.14 5.12 3.76 9.74 1.97 2.93 3.61 2.1 5.72 5.29 6.07 3.985 3.45 4.57 11.95 0.807 4.11 4.56 4.3 4.42 5.39 7.35 5.85 5.01 4.39 4.43 4.4 4.67 7.72 4.21 3.42 2.52 2.84 2.91 2.66 3.34 5.37 4.82 4.19 3.88 4.86 4.86 4.2 4.22 4.3 6.06 4.44 3.74 6.28 3.16 7.63 3.96 3.43 4.5 6.79 3.11 4.67 5.22 5.19 3.66 4.12 4.29 3.79 6.04 5.28 4.57 3.58 4.15 4.33 4.9 5.81 5.83 6.97 4.79 4.48 PC ae C40:6 3.945 4.73 8.07 1.81 2.25 6.36 3.48 3.16 2.27 6.99 2.58 7.91 7.42 1.04 5.92 8.78 5.84 0.756 4.54 6 4.84 5.01 2.85 1.76 5.24 2.5 7.45 7.79 6.22 4.62 6.78 5.06 7.985 3.88 4.7 4.87 5.28 4.95 9.43 11.9 5.97 7.66 4.66 6.39 7.5 6.98 7.48 5.13 4.22 2.91 2.55 2.7 3.4 4.07 6.17 6.19 3.99 5 9.63 5.78 5.32 4.65 5.75 8.33 7.83 6.03 6.15 3.94 9.3 4.69 4.36 5.69 6.27 3.66 4.8 6.55 6.2 4.42 5.09 5.92 4.75 6.56 6.83 4.91 5.44 5.77 5.6 6.89 8.38 7.45 10 7.15 4.79 PC ae C42:0 0.667 0.847 0.828 0.605 0.687 0.81 0.668 0.708 0.602 1.06 0.644 0.874 0.854 2.29 0.807 0.904 0.741 1.5 0.755 0.794 0.836 0.865 0.503 3.01 0.628 0.418 0.798 0.839 0.528 0.726 0.57 0.496 1.085 1.19 0.52 0.772 0.51 0.488 0.81 1.15 0.798 0.656 0.781 1.14 0.958 0.819 0.89 0.629 0.749 0.491 0.397 0.572 0.507 0.512 0.571 0.587 0.464 0.491 0.812 0.571 0.526 0.52 0.52 0.859 0.928 0.455 0.805 0.761 0.969 0.785 0.548 0.812 0.841 0.466 0.761 0.793 0.724 0.714 0.735 0.592 0.532 0.891 0.789 0.484 0.636 0.681 0.804 0.722 0.948 0.892 1 0.837 0.71 PC ae C42:1 0.275 0.351 0.471 0.238 0.282 0.527 0.225 0.306 0.308 0.787 0.242 0.474 0.367 0.968 0.589 0.584 0.576 1.87 0.446 0.43 0.33 1.14 0.267 1.11 0.369 0.202 0.581 0.444 0.477 0.4545 0.346 0.288 1.73 0.806 0.308 0.422 0.399 0.359 0.455 0.697 0.495 0.416 0.42 0.523 0.405 0.578 0.622 0.394 0.316 0.248 0.359 0.266 0.266 0.357 0.361 0.429 0.339 0.292 0.525 0.572 0.289 0.517 0.272 0.514 0.457 0.303 0.442 0.402 0.811 0.378 0.345 0.381 0.339 0.278 0.498 0.493 0.384 0.468 0.292 0.505 0.295 0.483 0.504 0.371 0.407 0.338 0.51 0.461 0.561 0.598 0.63 0.501 0.474 PC ae C42:2 0.3035 0.332 0.683 0.188 0.257 0.625 0.286 0.299 0.248 1.13 0.237 0.635 0.518 0 0.546 0.634 0.565 3.49 0.542 0.569 0.332 1.33 0.23 1.14 0.438 0.248 0.647 0.549 0.643 0.5435 0.358 0.487 1.22 0.431 0.323 0.411 0.502 0.418 0.756 1.24 0.595 0.636 0.605 0.76 0.52 0.804 0.553 0.519 0.294 0.326 0.371 0.274 0.33 0.464 0.357 0.467 0.314 0.492 0.758 0.796 0.338 0.57 0.514 0.689 0.636 0.472 0.568 0.408 0.807 0.381 0.435 0.514 0.47 0.342 0.542 0.561 0.626 0.43 0.382 0.582 0.412 0.604 0.574 0.456 0.507 0.469 0.4965 0.535 0.682 0.808 0.929 0.707 0.644 PC ae C42:3 0.4805 0.543 1.07 0.284 0.383 0.909 0.547 0.466 0.403 1.58 0.37 0.948 0.883 0 0.712 0.947 1.19 0 0.679 0.744 0.584 1.63 0.411 3.18 0.736 0.343 1.17 1.01 0.806 0.6295 0.61 0.721 1.595 0 0.543 0.604 0.7 0.655 1.14 1.58 0.826 0.968 0.797 1.04 0.705 1.08 0.788 0.83 0.517 0.448 0.441 0.326 0.482 0.667 0.522 0.714 0.467 0.778 1.23 1.22 0.627 0.783 0.619 1.1 0.926 0.65 0.79 0.536 1.17 0.538 0.47 0.827 0.858 0.419 0.774 0.817 0.83 0.666 0.528 0.837 0.642 0.922 0.692 0.643 0.745 0.772 0.7125 0.712 1.06 1.2 1.29 0.938 0.766 PC ae C42:4 0.653 0.776 1.65 0.268 0.289 0.889 0.489 0.466 0.454 1.12 0.531 0.966 1.01 45.1 0.689 1.17 1.39 35 0.768 0.852 0.971 2.25 0.396 18.2 0.522 0.333 0.895 1.04 0.921 0.5935 0.693 0.869 1.85 41.6 0.764 0.695 0.6 0.847 1.08 1.49 0.836 1.17 0.858 0.772 0.662 0.872 1 0.988 0.387 0.376 0.539 0.478 0.488 0.568 0.635 0.752 0.647 0.848 0.993 1.34 0.932 0.998 0.603 1.29 0.703 0.49 1.17 0.549 1.44 0.633 0.608 0.884 1.56 0.608 0.845 0.951 1.31 0.618 0.759 0.702 0.609 0.951 0.778 0.843 0.521 0.438 0.7705 0.847 0.859 1.32 1.29 0.791 0.824 PC ae C42:5 1.43 2.08 3.46 0.822 0.95 2.12 1.09 1.16 1.33 2.27 1.25 2.58 2.2 2.9 1.74 2.42 3.68 3.49 1.75 2.01 2.1 3.86 1.04 0.63 1.6 0.977 2.53 2.57 2.34 1.575 1.7 2.19 4.705 1.72 1.65 1.55 1.7 1.96 2.73 2.93 2.31 2.45 2.07 1.87 1.92 1.55 2.44 2.13 1.31 0.807 1.37 1.35 1.36 1.3 2.09 2.25 1.78 1.99 2.3 2.51 2.48 2.04 1.84 2.88 1.88 1.44 2.9 1.55 3 1.68 1.47 2.03 3.41 1.27 1.84 2.2 2.81 1.34 1.81 1.71 1.76 2.23 1.84 2 1.48 1.49 1.94 2.35 2.27 2.58 2.6 1.85 1.88 PC ae C44:3 0.097 0.108 0.176 0.05 0.076 0.155 0.08 0.091 0.087 0.217 0.085 0.159 0.106 1.27 0.117 0.118 0.254 0 0.101 0.116 0.073 0.359 0.076 0.197 0.117 0.048 0.145 0.114 0.096 0.0955 0.101 0.09 0.4495 0.072 0.091 0.096 0.092 0.088 0.119 0.216 0.135 0.135 0.112 0.156 0.127 0.136 0.133 0.117 0.06 0.082 0.069 0.088 0.086 0.075 0.088 0.086 0.103 0.092 0.147 0.153 0.112 0.167 0.099 0.152 0.167 0.084 0.13 0.094 0.163 0.083 0.104 0.104 0.141 0.082 0.114 0.118 0.114 0.086 0.085 0.101 0.08 0.121 0.105 0.1 0.097 0.089 0.102 0.095 0.145 0.142 0.172 0.127 0.131 PC ae C44:4 0.2155 0.334 0.495 0.128 0.147 0.317 0.177 0.191 0.218 0.474 0.2 0.363 0.357 1.31 0.264 0.335 0.402 0.427 0.239 0.266 0.315 0.593 0.177 0.831 0.201 0.162 0.302 0.277 0.286 0.2255 0.225 0.27 0.4895 2.53 0.285 0.179 0.249 0.266 0.333 0.578 0.367 0.439 0.388 0.31 0.264 0.272 0.327 0.38 0.207 0.153 0.225 0.164 0.212 0.189 0.22 0.238 0.203 0.271 0.347 0.469 0.27 0.32 0.265 0.434 0.38 0.231 0.36 0.244 0.529 0.221 0.207 0.296 0.491 0.171 0.311 0.352 0.45 0.249 0.251 0.244 0.209 0.276 0.286 0.321 0.243 0.162 0.283 0.294 0.348 0.446 0.436 0.281 0.288 PC ae C44:5 0.9395 1.47 2.38 0.391 0.503 1.25 0.6 0.626 0.669 1.74 0.793 1.61 1.43 0.968 1.01 1.19 1.82 1.03 1.13 1.15 1.46 2.08 0.759 0.767 1.15 0.649 1.8 1.56 1.27 0.951 1.1 1.59 1.725 0.387 1.19 0.732 1.04 1.31 2.01 2.27 1.49 1.9 1.69 1.43 1.44 0.856 1.43 1.59 0.786 0.445 0.751 0.754 0.921 0.694 1.14 1.21 0.995 1.47 1.4 2.12 1.82 1.35 1.08 1.85 1.28 1.08 2.03 1.09 2.45 1.25 0.877 1.37 2.34 0.659 1.2 1.6 2.22 0.844 1.05 0.888 0.922 1.21 1.33 1.27 0.97 0.782 1.23 1.47 1.4 2.01 1.74 1.13 1.27 PC ae C44:6 0.8675 1.25 2.6 0.369 0.541 1.52 0.717 0.569 0.708 1.82 0.675 1.78 1.32 0 0.852 1.42 1.62 0.863 1.08 1.16 1.56 1.59 0.713 1.2 0.968 0.493 1.72 1.8 1.1 0.8505 1.29 1.25 1.95 0.296 0.927 0.635 0.933 1.39 1.64 2.68 1.4 2.18 1.34 1.08 1.2 0.962 1.37 1.37 0.696 0.463 0.612 0.742 0.914 0.726 1.16 1.63 0.947 1.21 1.69 2.19 1.57 1.42 1.13 1.86 1.47 0.959 2.02 1.16 2.24 1.05 0.863 1.58 1.65 0.667 1.03 1.61 2.19 0.965 1.09 1.12 0.857 1.38 1.13 1.29 0.913 0.62 1.425 1.51 1.73 2.18 2.25 1.41 1.31 Glucose 9443.5 5600 5699 424 2707 7810 2805 1699 216 3891 3878 4939 5207 33903 6103 7091 6777 19720 5949 6649 4102 4725 3750 16893 7105 5545 8192 6559 6198 7148.5 5716 6000 3507.5 32730 6448 6380 6011 5335 6056 6385 7440 8201 4336 8542 12567 5584 7767 5766 6236 15688 7236 9947 5357 7352 5733 6650 8038 7018 6462 5157 7469 6716 6197 8403 8828 9621 4942 9922 4964 7347 4377 5629 8991 6140 5725 10136 9044 10121 7047 5485 7317 7052 4470 6562 5600 6505 6122 6660 5466 8980 6761 5741 5127 SM (OH) C14:1 3.745 4.26 9.7 1.4 1.59 5.08 2.56 3.78 2.24 5.36 3.81 6.54 5.73 3.37 6.63 8.94 4.98 2.34 2.98 4.98 3.3 7.62 2.87 2.31 4.86 3.04 4.09 3.91 10.6 4.865 3.78 6.74 5.505 3.04 3.69 3.86 3.33 4.09 4.76 9.34 4.53 5.54 5.91 4.14 6.92 6.82 5.85 5.14 3.08 3.23 5.28 3.43 3.62 4.09 5.91 4.13 3.88 6.76 5.52 6.14 7.26 5.08 5.1 8.84 7.64 10.1 8.34 3.51 10.8 6.2 3.5 3.52 8.38 3.28 8.1 8.36 7.19 3.8 6.61 5.38 5.28 4.57 6.96 5.04 4.27 3.49 4.25 6.98 7.58 7.42 11 5.6 7.61 SM (OH) C16:1 2.74 2.08 5.73 0.919 0.87 2.94 1.46 2.14 1.45 3.05 1.83 3.38 3.22 5.24 3.5 4.85 3 2.86 2.23 3.25 2.12 3.4 1.49 5.57 2.59 1.73 2.21 2.45 4.82 2.905 1.91 3.95 3.49 3.3 2.08 2.87 2.31 2.56 2.96 4.74 2.52 2.86 3.04 2.36 3.28 3.48 2.86 2.72 2.01 1.62 2.6 2.01 1.88 1.85 3.69 2.53 2.26 3.23 3.24 2.8 3.8 2.87 3.02 6.02 4.67 5.78 4.96 1.95 5.72 3.33 1.81 2.47 4.34 2.04 4.65 4.62 4.6 2.43 3.74 3.5 2.61 3.57 3.99 2.93 2.59 2.29 2.265 4.04 3.9 3.75 5.33 3.37 3.47 SM (OH) C22:1 6.885 6.74 9.65 2.33 2.22 6.73 3.89 4.97 3.1 12.3 5.19 6.4 7.88 3.58 10.4 12.5 6.28 4.56 5.85 7.04 4.71 9.84 3.59 4.04 7.95 5.58 6.41 8.59 14.1 7.12 4.83 11.5 10.35 1.18 6.41 9.44 8.53 5.59 7.19 11.8 9.71 8.66 5.23 8.81 7.09 10.7 6.36 8.05 6.24 5.27 6.73 7.92 4.73 7.16 10.6 7.58 5.95 10.3 9.41 11.3 8.58 8.59 7.38 10.3 9.8 10.8 11.9 6.68 14 7.21 7.82 5.68 8.91 7.62 8.51 10.2 10 7.6 6.65 10 7.97 6.51 12.7 9.76 7.54 5.51 5.765 9.06 10.5 10.4 16.2 11.4 9.99 SM (OH) C22:2 4.495 4.29 6.77 1.91 1.7 4.7 2.82 3.98 2.31 7.96 3.35 6.1 5.64 0.259 5.85 9.08 5.27 1.6 4.56 6.57 3.3 6.23 3.5 1.92 6.02 3.39 4.89 6.27 11.1 4.825 3.58 7.39 6.87 2.53 4.92 5.27 5.44 5.5 5.53 10.3 5.83 6.04 5.87 6.04 6 7.24 4.6 4.95 3.62 3.12 3.91 4.28 3.5 4.88 7.33 7.31 3.74 6.64 6.84 6.43 5.73 5.38 6.18 8.11 8.12 9.76 8.47 4.6 9.52 6.09 5.27 4.61 6.75 4.86 6.68 8.01 6.83 5.84 5.51 6.98 4.82 4.97 8.14 5.6 6.93 4.56 4.67 6.76 8.46 8.87 13.4 6.91 7.65 SM (OH) C24:1 0.658 0.587 0.953 0.229 0.203 0.547 0.359 0.44 0.236 1.05 0.407 0.625 0.737 1.58 1.03 1.09 0.548 2.27 0.507 0.539 0.375 0.855 0.226 0.321 0.608 0.529 0.578 0.757 1.08 0.684 0.4 0.963 0.8505 0.395 0.589 0.557 0.58 0.482 0.654 1.13 0.66 0.662 0.456 0.716 0.579 0.823 0.662 0.666 0.568 0.439 0.556 0.504 0.415 0.493 1.03 0.624 0.54 0.751 0.877 0.96 0.845 0.637 0.535 1.02 0.916 0.846 1.12 0.494 1 0.687 0.479 0.55 0.866 0.467 0.666 0.778 0.769 0.464 0.714 0.956 0.724 0.651 1.06 0.737 0.532 0.439 0.446 0.767 0.83 0.947 1.34 0.866 0.677 SM C16:0 78.35 64.8 191 29 37.8 98.2 59.8 69 56.3 127 61.3 119 115 42.1 90.3 145 109 52.5 87 142 70.1 136 59.4 57.6 77.6 57.7 95.2 100 147 114.7 70.7 125 144 56.8 77.4 99.9 84.1 90.7 111 134 86.5 104 93.7 88.9 107 133 132 98.3 49.2 63.1 94.2 84.5 67.7 81.1 139 111 74.2 110 113 131 123 116 104 151 139 142 160 66.1 179 94.7 92.4 106 113 95.1 135 142 148 89.2 89.8 125 105 132 174 107 93.9 87.5 84.4 116 144 171 205 126 135 SM C16:1 11.15 11.1 27.8 4.35 5.42 15.1 8.59 11.2 6.3 19.2 9.25 20 18 2.76 13.8 23.9 16.7 3.06 12.7 21.7 10.9 20.7 9.96 6.95 14.1 9.7 13.6 14.6 23.2 13.9 12.8 16.5 19.3 4.1 12 14.3 15.6 14.3 13.1 20.8 13.2 14.8 14.2 11.9 17.5 17.8 17.1 15.6 9.48 9.54 13.4 15.1 12 13.6 16.7 22.1 10.4 18 16.3 17.6 16.5 14.2 14.6 19 19.6 21.7 21.8 12.1 20.6 15.4 14.8 13.3 17.2 13 17.9 18.7 21.6 18.4 10.4 17.6 18.1 20.7 25.6 16.2 14.1 14 11.9 18.5 21.4 26.1 34.9 18.3 23.2 SM C18:0 19.6 14.5 36.6 6.54 6.53 20 9.72 13.6 8.75 29.7 9.04 21.2 21.4 7.41 21.8 26.6 22.6 5.72 17.8 25 13.5 23.5 11.5 6.24 17.6 11.6 16.5 17.9 32.3 25.95 11.1 28.2 24.25 8.67 12.6 20.9 22.8 18 21.6 25.4 17.1 19.8 16.8 19.6 20.2 19.8 14.1 16.7 13.5 13.6 14.4 20.4 13 15.2 24.3 17.9 15.1 19.9 19.1 16.4 20 21.2 23.2 26.9 28.8 33.7 29 13.3 29.6 19.9 15.8 20.6 25.3 17.9 24.2 31.5 37.3 20.6 15.2 25 22.9 35.3 33 20.2 17.6 21.3 14.55 27.8 27.6 26.4 37.7 23.8 22.9 SM C18:1 10.9 7.5 21.8 3.64 3.82 12.3 5.87 8.64 4.83 14 5.02 12 13.2 4.19 10.2 15.8 13 1.05 10.8 17.8 8.32 10.7 7.6 2.99 9.39 6.85 9.66 10.5 14.2 10.855 7.8 14.1 14.3 2.95 7.79 12.1 13.2 11.8 10.5 12.9 8.99 9.37 9.78 8.64 10.7 10.3 7.6 9.18 7.86 5.42 7.74 12.6 6.29 8.2 13.6 13.1 8.57 11 11.2 8.69 10.4 10.3 12.8 14.9 16.1 17.8 17.1 8.09 13.1 11 8.92 9.48 11.8 9.03 13.6 15.7 18.6 14.5 6.84 14 12.8 17.6 18 11.1 10.9 11.6 7.995 14.9 15.9 14.6 20.7 12.4 13.6 SM C20:2 0.459 0.397 1.12 0.154 0.138 0.448 0.198 0.287 0.272 0.509 0.28 0.583 0.53 0.124 0.444 0.728 0.647 0.081 0.33 0.811 0.353 0.16 0.383 0 0.332 0.312 0.448 0.522 0.629 0.3815 0.379 0.622 0.78 0 0.303 0.46 0.398 0.464 0.374 0.588 0.281 0.296 0.41 0.31 0.337 0.207 0.53 0.371 0.305 0.148 0.206 0.489 0.301 0.31 0.654 0.601 0.354 0.353 0.327 0.269 0.353 0.481 0.598 0.661 0.522 0.524 0.852 0.257 0.541 0.436 0.318 0.342 0.399 0.315 0.699 0.931 0.558 0.465 0.33 0.495 0.413 0.829 0.706 0.552 0.316 0.3 0.2265 0.447 0.681 0.481 0.831 0.409 0.591 SM C22:3 0.1405 0 0.057 0 0 0 0 0 0.043 0 0 0 0 0.132 0.123 0.188 0.279 1.27 0 0.252 0 0 0 0.436 0 0 0.64 0 0 0.035 0 0 0.1835 0 0 0 0 0.083 0 0 0 0 0 0 0 0 0 0 0 0 0 0.163 0 0 0 0.159 0.037 0 0 0 0 0 0 0 0 0.059 0.169 0 0.151 0.098 0.12 0.01 0 0.06 0 0.378 0 0 0 0 0.016 0 0.294 0 0 0 0.048 0 0 0 0 0 0.014 SM C24:0 9.625 9.1 15.4 3.46 3.68 10.9 6.19 7.33 5.43 22.3 7.42 10.5 12.6 4.8 14.8 17.2 9.62 6.1 9.49 11.8 8.4 17 5.29 5.87 12 9.02 8.33 13 18.1 12.15 7.44 16.8 18.75 5.43 10.6 12.7 13.2 8.66 12.4 16.8 13.8 14.4 8.12 12.5 9.24 18.1 10.9 14.6 7.98 10 13.2 12.5 8.33 11.7 15.1 16.1 8.84 14.8 17.8 20.5 13.6 13.3 11.1 13.5 14.2 13.7 17.6 8.45 19.2 10.8 12.2 10 12 9.8 11.2 13 13.8 9.96 7.87 17 13.6 10.3 20.5 16.2 8.66 11.5 8.97 14 15 16.7 25.6 17.2 14.9 SM C24:1 17.8 13.4 32 7.48 6.8 15.7 12.8 12.3 11.5 33.9 10.8 25.8 21.7 2.41 15.5 25.3 25.1 1.9 17.1 29 13 30.5 12.3 7.3 20.3 10.5 24.3 23.8 26.1 28.1 12.1 31.3 34.3 3.19 17.3 20.7 21.8 22.9 30.5 34.2 15.9 18.5 17 22.4 23 28.4 20.2 21.1 12.1 15 15.1 14.2 15.6 16 32 29.4 11.7 23.5 28.4 26.1 23.4 24.4 29.1 28.8 27.8 30.5 30.7 14.3 37.8 20.3 21.4 25.5 20.3 18.5 22.3 23.7 25.6 17.1 18.1 26 20.1 30.9 34.7 22.7 17.6 26 14.2 23.9 25.4 33.1 47 24.6 28.4 SM C26:0 0.0805 0.06 0.109 0.032 0.023 0.068 0.057 0.06 0.017 0.177 0.056 0.075 0.088 0 0.13 0.076 0.081 0.029 0.081 0.087 0.032 0.095 0.018 0.327 0.068 0.036 0.052 0.098 0.114 0.098 0.049 0.099 0.0995 2.22 0.054 0.105 0.084 0.079 0.092 0.111 0.095 0.07 0.05 0.085 0.084 0.111 0.072 0.067 0.051 0.058 0.058 0.063 0.048 0.049 0.129 0.088 0.062 0.122 0.077 0.121 0.1 0.104 0.051 0.129 0.108 0.105 0.114 0.052 0.11 0.079 0.068 0.082 0.078 0.032 0.094 0.095 0.083 0.036 0.078 0.116 0.114 0.123 0.144 0.091 0.058 0.072 0.058 0.074 0.07 0.133 0.133 0.091 0.077 SM C26:1 0.1755 0.125 0.254 0.067 0.056 0.185 0.078 0.102 0.091 0.297 0.109 0.269 0.204 0.655 0.177 0.216 0.196 0 0.108 0.165 0.082 0.177 0.096 0.477 0.163 0.074 0.183 0.218 0.249 0.2315 0.111 0.251 0.1775 0.032 0.108 0.167 0.119 0.156 0.324 0.278 0.154 0.146 0.145 0.132 0.16 0.19 0.169 0.146 0.173 0.118 0.108 0.124 0.125 0.101 0.23 0.224 0.116 0.149 0.311 0.141 0.166 0.151 0.203 0.25 0.202 0.233 0.243 0.079 0.188 0.162 0.128 0.162 0.09 0.14 0.198 0.167 0.183 0.099 0.133 0.221 0.212 0.225 0.233 0.207 0.143 0.259 0.0815 0.153 0.172 0.19 0.347 0.131 0.163 C0 77.2 55.6 64.8 15.3 20.1 59.1 24 28 33.6 39.1 35.7 77.3 43.3 84.4 55.8 56.9 54.2 170 54.4 55.3 30.7 42.4 32.1 105 54.7 41.1 74.3 58.4 57 53.45 56.5 62.4 57.4 106 54.3 47.2 53.2 54.6 38.3 68 70 75.2 44.8 65.4 59.6 53.2 76.2 72.7 86.3 54.4 40.8 97 67.6 63.4 55.6 61.5 49.4 52.5 46 64.3 31.8 52.6 68.4 65.5 50.5 73.5 63 49.2 74.6 41.6 48.1 50.4 48.3 35.2 63.6 97.1 54.1 54.6 46.5 45.1 67.4 63.3 91 53.3 54.2 46.6 73.4 44.6 52.4 56.2 81.3 74.9 69.3 C10 0.211 0.144 0.125 0.085 0.088 0.115 0.085 0.119 0.088 0.093 0.092 0.187 0.147 2.23 0.21 0.379 0.338 2.15 0.67 0.149 0.328 0.238 0.137 1.84 0.454 0.129 0.178 0.269 0.382 0.4195 0.231 0.243 0.156 2.46 0.189 0.098 0.315 0.106 0.173 0.123 0.153 0.182 0.135 0.227 0.294 0.16 0.264 0.212 0.55 0.32 0.107 0.227 0.373 0.193 0.157 0.271 0.173 0.397 0.369 0.181 0.2 0.257 0.335 0.138 0.309 0.387 0.165 0.129 0.315 0.133 0.142 0.171 0.22 0.148 0.089 0.204 0.177 0.295 0.097 0.13 0.352 0.268 0.279 0.168 0.244 0.084 0.18 0.295 0.272 0.269 0.521 0.191 0.191 C10:1 0.2235 0.131 0.117 0.059 0.08 0.058 0.063 0.099 0.057 0.101 0.066 0.167 0.116 1.02 0.168 0.268 0.271 1.09 0.255 0.113 0.257 0.113 0.109 0.959 0.263 0.092 0.22 0.249 0.189 0.2175 0.214 0.159 0.134 0.999 0.179 0.092 0.165 0.118 0.112 0.096 0.136 0.143 0.143 0.125 0.251 0.105 0.208 0.169 0.368 0.221 0.054 0.16 0.347 0.164 0.105 0.253 0.164 0.231 0.206 0.187 0.188 0.187 0.233 0.103 0.226 0.214 0.145 0.121 0.21 0.082 0.124 0.175 0.138 0.195 0.085 0.155 0.143 0.26 0.056 0.156 0.241 0.252 0.243 0.175 0.179 0.062 0.158 0.234 0.222 0.224 0.419 0.174 0.177 C10:2 0.0855 0.067 0.061 0.032 0.048 0.042 0.046 0.072 0.035 0.06 0.041 0.14 0.061 0.665 0.055 0.167 0.075 0.626 0.064 0.063 0.061 0.046 0.052 0.802 0.091 0.045 0.163 0.075 0.077 0.076 0.075 0.056 0.085 0.963 0.061 0.046 0.051 0.117 0.052 0.063 0.056 0.064 0.131 0.061 0.082 0.055 0.067 0.093 0.106 0.06 0.036 0.067 0.103 0.075 0.106 0.075 0.056 0.059 0.052 0.06 0.081 0.062 0.077 0.062 0.118 0.116 0.07 0.055 0.073 0.042 0.059 0.076 0.065 0.079 0.049 0.087 0.058 0.089 0.072 0.056 0.057 0.089 0.072 0.064 0.091 0.036 0.155 0.097 0.071 0.075 0.105 0.066 0.075 C12 0.1275 0.105 0.093 0.075 0.083 0.087 0.077 0.085 0.071 0.088 0.077 0.128 0.114 1.1 0.125 0.189 0.194 0.957 0.257 0.112 0.165 0.147 0.105 1.02 0.217 0.109 0.154 0.15 0.209 0.1905 0.179 0.164 0.1155 1.24 0.137 0.073 0.246 0.117 0.101 0.096 0.105 0.149 0.112 0.161 0.155 0.11 0.205 0.143 0.277 0.23 0.101 0.117 0.182 0.157 0.112 0.173 0.14 0.209 0.257 0.166 0.155 0.17 0.177 0.113 0.171 0.195 0.129 0.087 0.192 0.108 0.12 0.113 0.152 0.172 0.083 0.132 0.149 0.181 0.084 0.122 0.195 0.184 0.163 0.203 0.162 0.095 0.1095 0.143 0.16 0.161 0.253 0.12 0.117 C12-DC 0.111 0.079 0.098 0.103 0.106 0.096 0.122 0.108 0.135 0.095 0.133 0.084 0.109 0.722 0.096 0.096 0.089 0.378 0.087 0.097 0.111 0.1 0.131 0.196 0.099 0.122 0.112 0.1 0.089 0.1145 0.109 0.091 0.0955 0.551 0.127 0.08 0.092 0.117 0.104 0.087 0.086 0.137 0.114 0.09 0.109 0.116 0.088 0.107 0.128 0.116 0.106 0.117 0.102 0.108 0.082 0.095 0.108 0.109 0.113 0.11 0.106 0.088 0.098 0.129 0.121 0.087 0.132 0.096 0.128 0.145 0.084 0.097 0.116 0.124 0.122 0.116 0.118 0.11 0.115 0.09 0.118 0.129 0.141 0.097 0.129 0.114 0.122 0.139 0.123 0.116 0.111 0.123 0.121 C12:1 0.3235 0.428 0.295 0.058 0.157 1.14 0.117 0.166 0.055 0.179 0.236 0.262 0.233 0.551 0.331 0.591 0.521 1.07 0.376 0.435 0.361 0.399 0.102 0.581 0.237 0.098 0.164 0.393 0.181 0.5805 0.182 0.156 0.121 0.659 0.137 0.395 0.152 0.085 0.11 0.374 0.411 0.133 0.107 0.477 0.178 0.305 1.59 0.145 0.358 0.15 0.067 0.151 0.222 0.13 0.076 0.153 0.151 0.177 0.251 0.159 0.15 0.146 0.172 0.113 0.162 0.154 0.114 0.1 0.188 0.12 0.111 0.123 0.119 0.122 0.075 0.12 0.128 0.19 0.079 0.104 0.182 0.175 0.235 0.132 0.153 0.07 0.111 0.167 0.155 0.156 0.249 0.119 0.151 C14 0.0385 0.033 0.039 0.017 0.019 0.041 0.024 0.039 0.055 0.03 0.024 0.047 0.033 1.53 0.037 0.058 0.064 1.96 0.066 0.028 0.035 0.049 0.023 2.3 0.05 0.031 0.049 0.035 0.053 0.0435 0.036 0.035 0.0325 1.74 0.042 0.024 0.094 0.043 0.027 0.03 0.034 0.039 0.038 0.062 0.052 0.035 0.066 0.039 0.062 0.054 0.028 0.044 0.045 0.042 0.028 0.038 0.048 0.047 0.077 0.041 0.034 0.035 0.046 0.033 0.041 0.07 0.042 0.026 0.046 0.029 0.032 0.024 0.05 0.025 0.024 0.043 0.065 0.058 0.03 0.025 0.055 0.059 0.044 0.058 0.039 0.03 0.0275 0.042 0.038 0.045 0.07 0.029 0.044 C14:1 0.0455 0.038 0.039 0.02 0.031 0.026 0.019 0.034 0.019 0.024 0.02 0.046 0.037 0.632 0.06 0.094 0.134 0.571 0.12 0.029 0.099 0.071 0.025 1.35 0.11 0.037 0.059 0.058 0.084 0.106 0.071 0.073 0.035 0.632 0.045 0.035 0.114 0.018 0.038 0.023 0.041 0.046 0.031 0.072 0.071 0.031 0.092 0.051 0.114 0.082 0.02 0.053 0.103 0.041 0.025 0.102 0.056 0.081 0.19 0.056 0.068 0.049 0.084 0.036 0.065 0.074 0.039 0.025 0.085 0.038 0.043 0.031 0.05 0.034 0.024 0.054 0.061 0.068 0.024 0.037 0.076 0.064 0.068 0.036 0.063 0.023 0.03 0.034 0.074 0.083 0.102 0.036 0.053 C14:1-OH 0.0155 0.018 0.014 0.009 0.011 0.015 0.009 0.016 0.016 0.011 0.011 0.017 0.016 1.02 0.02 0.022 0.025 0.845 0.017 0.014 0.021 0.021 0.009 1.68 0.025 0.011 0.026 0.016 0.026 0.021 0.023 0.017 0.017 0.77 0.016 0.013 0.026 0.01 0.014 0.016 0.021 0.016 0.01 0.03 0.023 0.016 0.033 0.02 0.028 0.023 0.011 0.018 0.025 0.015 0.011 0.018 0.022 0.019 0.031 0.024 0.019 0.017 0.027 0.015 0.018 0.029 0.02 0.008 0.025 0.015 0.013 0.012 0.02 0.014 0.014 0.011 0.018 0.024 0.01 0.013 0.016 0.052 0.021 0.018 0.016 0.008 0.015 0.019 0.019 0.021 0.026 0.016 0.021 C14:2 0.032 0.022 0.022 0.014 0.018 0.017 0.014 0.024 0.015 0.023 0.012 0.029 0.02 0.676 0.034 0.065 0.082 0.725 0.073 0.017 0.073 0.032 0.015 0.79 0.052 0.016 0.032 0.049 0.042 0.053 0.059 0.035 0.019 0.996 0.027 0.02 0.059 0.019 0.021 0.014 0.025 0.038 0.019 0.03 0.04 0.018 0.06 0.026 0.069 0.054 0.014 0.034 0.075 0.032 0.015 0.07 0.03 0.041 0.097 0.037 0.045 0.031 0.052 0.017 0.036 0.037 0.025 0.02 0.051 0.024 0.023 0.028 0.022 0.035 0.01 0.026 0.027 0.052 0.01 0.032 0.039 0.049 0.039 0.026 0.04 0.011 0.021 0.022 0.05 0.05 0.096 0.027 0.031 C14:2-OH 0.016 0.013 0.015 0.012 0.012 0.014 0.012 0.01 0.01 0.013 0.01 0.017 0.015 0.957 0.018 0.016 0.019 0.725 0.021 0.017 0.012 0.016 0.008 1.03 0.015 0.01 0.024 0.021 0.013 0.012 0.02 0.015 0.014 0.655 0.016 0.013 0.015 0.011 0.011 0.015 0.013 0.017 0.01 0.018 0.013 0.014 0.019 0.014 0.019 0.017 0.009 0.012 0.016 0.014 0.014 0.014 0.017 0.012 0.022 0.016 0.015 0.013 0.022 0.01 0.015 0.016 0.012 0.011 0.014 0.009 0.013 0.012 0.017 0.018 0.014 0.01 0.013 0.02 0.009 0.011 0.013 0.026 0.011 0.014 0.019 0.009 0.01 0.016 0.011 0.015 0.022 0.013 0.012 C16 0.1645 0.122 0.181 0.051 0.06 0.162 0.068 0.226 0.174 0.168 0.07 0.215 0.134 1.36 0.178 0.173 0.235 1.34 0.271 0.086 0.109 0.184 0.062 1.69 0.167 0.096 0.254 0.154 0.186 0.1875 0.144 0.138 0.1375 1.01 0.153 0.105 0.285 0.096 0.152 0.101 0.158 0.139 0.141 0.155 0.161 0.132 0.198 0.123 0.188 0.171 0.09 0.171 0.171 0.137 0.117 0.133 0.165 0.126 0.178 0.157 0.133 0.148 0.172 0.103 0.165 0.203 0.142 0.107 0.159 0.13 0.16 0.125 0.149 0.103 0.11 0.126 0.204 0.182 0.101 0.138 0.171 0.165 0.268 0.159 0.175 0.109 0.1415 0.165 0.163 0.216 0.22 0.13 0.274 C16:1-OH 0.013 0.01 0.013 0.007 0.011 0.017 0.011 0.01 0.01 0.008 0.01 0.013 0.013 0.823 0.011 0.016 0.015 0.97 0.016 0.012 0.011 0.016 0.009 1.2 0.01 0.008 0.015 0.011 0.011 0.013 0.011 0.015 0.0115 1.1 0.01 0.01 0.016 0.009 0.011 0.013 0.017 0.014 0.009 0.032 0.013 0.012 0.013 0.033 0.017 0.012 0.008 0.01 0.012 0.01 0.008 0.01 0.013 0.014 0.012 0.01 0.013 0.012 0.015 0.015 0.016 0.013 0.012 0.009 0.012 0.012 0.009 0.01 0.011 0.023 0.012 0.012 0.011 0.017 0.01 0.009 0.014 0.013 0.015 0.011 0.016 0.01 0.012 0.014 0.011 0.012 0.017 0.011 0.018 C16:1 0.036 0.029 0.036 0.022 0.025 0.026 0.02 0.048 0.039 0.033 0.015 0.053 0.029 0.773 0.039 0.041 0.065 0.747 0.064 0.027 0.034 0.047 0.022 1.11 0.051 0.032 0.059 0.028 0.038 0.0495 0.045 0.046 0.0315 0.721 0.033 0.027 0.063 0.021 0.032 0.023 0.042 0.029 0.033 0.037 0.044 0.026 0.044 0.029 0.056 0.041 0.018 0.036 0.051 0.031 0.024 0.043 0.032 0.036 0.074 0.033 0.039 0.028 0.041 0.026 0.036 0.047 0.034 0.026 0.045 0.029 0.03 0.025 0.028 0.023 0.023 0.034 0.037 0.04 0.025 0.025 0.035 0.037 0.059 0.028 0.054 0.027 0.027 0.026 0.034 0.054 0.046 0.029 0.064 C16-OH 0.014 0.012 0.016 0.007 0.012 0.016 0.009 0.013 0.013 0.014 0.007 0.016 0.016 0.723 0.015 0.017 0.022 1.05 0.022 0.012 0.014 0.015 0.009 1.43 0.017 0.011 0.018 0.011 0.022 0.0145 0.015 0.015 0.0125 0.775 0.011 0.013 0.022 0.008 0.012 0.012 0.014 0.014 0.017 0.027 0.017 0.012 0.017 0.015 0.026 0.012 0.009 0.012 0.017 0.011 0.011 0.012 0.02 0.012 0.019 0.016 0.017 0.011 0.02 0.019 0.018 0.024 0.013 0.01 0.011 0.012 0.01 0.011 0.016 0.013 0.018 0.018 0.014 0.014 0.015 0.01 0.015 0.016 0.012 0.012 0.019 0.01 0.011 0.014 0.014 0.018 0.018 0.015 0.023 C16:2 0.0145 0.012 0.011 0.008 0.009 0.014 0.008 0.012 0.01 0.015 0.008 0.014 0.011 0.563 0.014 0.018 0.027 0.484 0.022 0.01 0.017 0.015 0.01 0.578 0.017 0.012 0.018 0.017 0.02 0.0165 0.021 0.014 0.0145 0.446 0.013 0.01 0.025 0.012 0.011 0.011 0.009 0.015 0.012 0.017 0.019 0.012 0.017 0.014 0.019 0.022 0.01 0.013 0.024 0.014 0.011 0.019 0.016 0.016 0.029 0.014 0.018 0.017 0.02 0.012 0.019 0.018 0.011 0.009 0.015 0.012 0.014 0.014 0.013 0.017 0.01 0.019 0.018 0.017 0.008 0.02 0.019 0.018 0.018 0.013 0.016 0.015 0.013 0.012 0.013 0.016 0.023 0.015 0.016 C16:2-OH 0.0255 0.015 0.022 0.018 0.02 0.016 0.017 0.018 0.019 0.021 0.013 0.022 0.02 0.31 0.022 0.02 0.025 0.587 0.03 0.019 0.022 0.024 0.022 0.821 0.026 0.026 0.026 0.027 0.026 0.02 0.032 0.029 0.021 0.367 0.024 0.018 0.024 0.026 0.023 0.019 0.023 0.033 0.016 0.023 0.02 0.019 0.023 0.027 0.028 0.037 0.015 0.026 0.031 0.022 0.025 0.028 0.028 0.028 0.023 0.03 0.023 0.027 0.028 0.022 0.021 0.035 0.022 0.026 0.018 0.017 0.021 0.021 0.021 0.02 0.014 0.024 0.025 0.02 0.022 0.028 0.031 0.029 0.031 0.022 0.029 0.022 0.0215 0.025 0.017 0.021 0.026 0.028 0.03 C18 0.077 0.056 0.1 0.024 0.029 0.075 0.044 0.071 0.062 0.063 0.032 0.088 0.066 0.729 0.051 0.09 0.073 0.971 0.117 0.047 0.064 0.079 0.03 0.778 0.056 0.047 0.089 0.055 0.11 0.076 0.07 0.052 0.068 1.48 0.059 0.055 0.125 0.048 0.078 0.036 0.067 0.055 0.052 0.056 0.049 0.071 0.087 0.052 0.065 0.086 0.047 0.048 0.056 0.05 0.066 0.061 0.076 0.059 0.087 0.079 0.053 0.058 0.079 0.07 0.066 0.104 0.079 0.031 0.082 0.064 0.063 0.038 0.073 0.067 0.075 0.066 0.075 0.077 0.053 0.075 0.078 0.074 0.095 0.073 0.063 0.045 0.0585 0.065 0.077 0.079 0.129 0.067 0.104 C18:1 0.201 0.149 0.273 0.087 0.088 0.167 0.128 0.297 0.329 0.214 0.141 0.346 0.147 0.685 0.174 0.178 0.315 0.88 0.271 0.125 0.187 0.194 0.082 0.749 0.189 0.137 0.341 0.12 0.197 0.202 0.222 0.208 0.1985 1.6 0.217 0.173 0.25 0.145 0.222 0.09 0.204 0.182 0.113 0.13 0.188 0.118 0.233 0.148 0.236 0.207 0.117 0.193 0.191 0.124 0.168 0.173 0.152 0.148 0.263 0.197 0.17 0.131 0.191 0.109 0.166 0.252 0.207 0.101 0.177 0.174 0.203 0.105 0.117 0.12 0.138 0.13 0.144 0.165 0.098 0.15 0.192 0.121 0.42 0.11 0.256 0.11 0.166 0.131 0.187 0.281 0.219 0.159 0.466 C18:1-OH 0.0195 0.013 0.02 0.014 0.014 0.016 0.018 0.013 0.012 0.017 0.014 0.019 0.014 0.589 0.02 0.018 0.02 0.999 0.026 0.019 0.015 0.02 0.014 1.4 0.019 0.017 0.017 0.019 0.018 0.016 0.019 0.019 0.015 1.58 0.018 0.014 0.024 0.012 0.015 0.018 0.02 0.018 0.011 0.038 0.018 0.017 0.013 0.017 0.019 0.022 0.011 0.012 0.016 0.014 0.014 0.018 0.018 0.018 0.026 0.018 0.017 0.014 0.023 0.012 0.016 0.016 0.015 0.009 0.015 0.01 0.013 0.013 0.017 0.015 0.012 0.019 0.014 0.015 0.012 0.014 0.014 0.017 0.019 0.016 0.021 0.014 0.0125 0.015 0.011 0.019 0.017 0.015 0.017 C18:2 0.1345 0.089 0.153 0.057 0.048 0.098 0.082 0.248 0.241 0.275 0.072 0.229 0.084 0.869 0.104 0.083 0.185 0.955 0.188 0.059 0.107 0.081 0.037 2.1 0.086 0.039 0.223 0.092 0.073 0.096 0.137 0.1 0.1545 3.23 0.099 0.065 0.104 0.097 0.103 0.08 0.113 0.133 0.064 0.042 0.126 0.057 0.12 0.07 0.102 0.123 0.064 0.111 0.101 0.094 0.091 0.113 0.093 0.056 0.106 0.142 0.07 0.08 0.074 0.052 0.087 0.091 0.147 0.061 0.087 0.073 0.119 0.086 0.052 0.066 0.057 0.072 0.087 0.11 0.063 0.123 0.077 0.073 0.209 0.069 0.175 0.045 0.116 0.074 0.132 0.208 0.178 0.131 0.345 C2 9.42 5.68 9.63 2.35 3.21 7.07 2.25 3.76 2.9 3.89 3.17 7.12 4.61 4.58 6.82 8.2 16.5 7.61 6.27 6.06 6.31 18.2 3.19 10.4 10.4 5.27 8.03 5.74 8.19 7.63 7.85 6.86 6.04 4.95 5.71 5.72 18.3 6.25 4.36 5.28 5.91 6.74 8.58 12.2 8.6 5.22 9.75 5.39 18.2 9.18 3.99 8.34 10 7.17 4.79 8.55 5.84 10.7 17.5 7.93 5.74 6.08 10.2 7.94 9.58 9.11 5.77 6.09 8.77 8.87 6.21 9.1 5.43 4.94 5.52 11.5 9.31 7.69 5.59 5.13 7.07 9.92 14.8 7.05 7.43 5 8.995 6.4 5.93 8.65 18.5 7.09 10.1 C3 0.602 0.527 0.653 0.112 0.111 0.604 0.193 0.236 0.269 0.378 0.227 0.806 0.328 0.631 0.55 0.392 0.376 0.768 0.332 0.383 0.174 0.261 0.272 0.815 0.473 0.335 0.779 0.402 0.493 0.446 0.435 0.598 0.42 0.643 0.353 0.463 0.483 0.393 0.288 0.691 0.668 0.711 0.564 0.843 0.782 0.337 0.584 0.518 0.888 0.524 0.404 0.515 0.454 0.608 0.477 0.505 0.547 0.451 0.29 0.62 0.284 0.559 0.975 0.847 0.477 0.688 0.517 0.474 0.567 0.313 0.37 0.337 0.482 0.257 0.448 1.06 0.52 0.655 0.455 0.362 0.431 0.551 1.28 0.895 0.513 0.414 1.11 0.497 0.499 0.437 0.768 0.672 0.828 C3-OH 0.032 0.029 0.03 0.035 0.035 0.028 0.055 0.039 0.036 0.038 0.04 0.029 0.045 1.6 0.019 0.038 0.021 1.63 0.024 0.03 0.045 0.025 0.044 1.49 0.029 0.05 0.037 0.029 0.031 0.042 0.036 0.025 0.034 1.36 0.037 0.017 0.023 0.032 0.038 0.027 0.028 0.036 0.052 0.035 0.034 0.031 0.032 0.039 0.034 0.033 0.045 0.037 0.04 0.03 0.025 0.028 0.025 0.026 0.033 0.037 0.028 0.036 0.034 0.041 0.045 0.021 0.041 0.029 0.045 0.066 0.026 0.031 0.032 0.026 0.04 0.038 0.039 0.045 0.03 0.036 0.035 0.04 0.05 0.027 0.045 0.042 0.0375 0.047 0.046 0.046 0.05 0.042 0.046 C3:1 0.005 0.004 0.008 0.007 0.009 0.005 0.012 0.008 0.012 0.007 0.011 0.005 0.007 0.287 0.007 0.005 0.007 0.236 0.008 0.007 0.007 0.006 0.015 0.398 0.007 0.015 0.009 0.01 0.008 0.01 0.008 0.009 0.008 0.311 0.011 0.005 0.008 0.008 0.009 0.007 0.009 0.012 0.016 0.007 0.01 0.007 0.006 0.011 0.009 0.01 0.007 0.011 0.01 0.009 0.006 0.007 0.007 0.009 0.007 0.008 0.008 0.007 0.011 0.01 0.01 0.005 0.009 0.008 0.011 0.019 0.01 0.007 0.007 0.008 0.008 0.011 0.011 0.011 0.006 0.01 0.008 0.007 0.008 0.008 0.008 0.013 0.008 0.012 0.007 0.012 0.011 0.006 0.014 C4 0.3835 0.285 0.385 0.086 0.11 0.205 0.136 0.147 0.145 0.299 0.189 0.319 0.257 0.741 0.403 0.217 0.162 1.13 0.218 0.25 0.136 0.147 0.138 1.36 0.279 0.253 0.703 0.329 0.294 0.2295 0.166 0.297 0.2035 0.891 0.343 0.199 0.327 0.223 0.168 0.301 0.189 0.502 0.627 0.5 0.956 0.273 0.401 0.331 1.02 0.295 0.257 0.339 0.398 0.364 0.364 0.362 0.313 0.304 0.228 0.305 0.221 0.446 0.564 0.816 0.402 0.436 0.254 0.336 0.52 0.219 0.164 0.313 0.348 0.194 0.288 0.422 0.314 0.333 0.242 0.209 0.219 0.296 0.813 0.51 0.317 0.217 0.622 0.323 0.293 0.283 0.355 0.305 0.625 C4-OH (C3-DC) 0.044 0.02 0.185 0.017 0.03 0.1 0.025 0.047 0.025 0.037 0.04 0.057 0.047 0.243 0.052 0.11 0.063 0.22 0.051 0.031 0.038 0.081 0.034 0.293 0.116 0.036 0.077 0.089 0.034 0.0535 0.032 0.04 0.0625 0.241 0.04 0.045 0.239 0.033 0.029 0.077 0.073 0.065 0.07 0.082 0.045 0.047 0.072 0.047 0.081 0.05 0.026 0.076 0.066 0.078 0.05 0.068 0.054 0.063 0.055 0.044 0.041 0.075 0.171 0.067 0.066 0.053 0.042 0.03 0.051 0.059 0.038 0.044 0.034 0.047 0.038 0.076 0.052 0.046 0.051 0.035 0.04 0.046 0.065 0.041 0.065 0.024 0.05 0.041 0.036 0.059 0.061 0.078 0.361 C4:1 0.0165 0.01 0.014 0.01 0.01 0.011 0.013 0.012 0.021 0.014 0.016 0.015 0.012 0.258 0.012 0.018 0.013 0.236 0.018 0.01 0.012 0.009 0.014 0.41 0.011 0.021 0.029 0.012 0.011 0.018 0.019 0.016 0.01 0.269 0.015 0.011 0.012 0.014 0.014 0.013 0.011 0.019 0.026 0.015 0.014 0.018 0.018 0.013 0.042 0.026 0.019 0.027 0.017 0.011 0.011 0.017 0.014 0.021 0.014 0.013 0.015 0.014 0.019 0.022 0.026 0.016 0.018 0.017 0.026 0.016 0.01 0.017 0.02 0.012 0.011 0.02 0.022 0.018 0.01 0.01 0.015 0.017 0.016 0.014 0.016 0.022 0.0225 0.019 0.015 0.019 0.02 0.018 0.017 C5 0.2505 0.271 0.201 0.054 0.085 0.274 0.109 0.135 0.101 0.172 0.162 0.378 0.135 1.89 0.169 0.212 0.192 1.57 0.158 0.18 0.111 0.097 0.153 2.15 0.181 0.214 0.379 0.22 0.25 0.1765 0.158 0.208 0.1815 1.35 0.233 0.234 0.25 0.122 0.124 0.297 0.185 0.295 0.378 0.369 0.396 0.187 0.349 0.213 0.388 0.265 0.123 0.25 0.165 0.277 0.215 0.372 0.277 0.213 0.218 0.335 0.14 0.263 0.332 0.363 0.264 0.278 0.268 0.216 0.255 0.18 0.105 0.199 0.279 0.113 0.216 0.284 0.24 0.42 0.163 0.136 0.297 0.325 0.582 0.558 0.304 0.187 0.3665 0.216 0.263 0.179 0.281 0.236 0.323 C5-M-DC 0.032 0.02 0.02 0.016 0.017 0.022 0.022 0.023 0.026 0.019 0.03 0.022 0.018 0.288 0.016 0.022 0.021 0.308 0.021 0.02 0.023 0.029 0.026 0.449 0.023 0.018 0.036 0.017 0.016 0.0265 0.031 0.019 0.0155 0.269 0.018 0.013 0.014 0.021 0.017 0.024 0.022 0.018 0.034 0.021 0.027 0.016 0.022 0.022 0.035 0.023 0.022 0.023 0.019 0.023 0.016 0.024 0.019 0.028 0.024 0.025 0.021 0.026 0.028 0.028 0.044 0.022 0.027 0.027 0.027 0.028 0.019 0.055 0.022 0.02 0.021 0.028 0.018 0.017 0.014 0.025 0.019 0.022 0.022 0.02 0.019 0.033 0.0205 0.025 0.033 0.024 0.021 0.019 0.019 C5-OH (C3-DC-M) 0.085 0.043 0.051 0.042 0.054 0.056 0.051 0.05 0.05 0.054 0.067 0.056 0.047 0.853 0.049 0.071 0.051 0.842 0.072 0.05 0.049 0.045 0.075 1.08 0.07 0.063 0.103 0.064 0.071 0.094 0.064 0.07 0.059 0.637 0.058 0.043 0.07 0.051 0.067 0.057 0.057 0.069 0.101 0.055 0.067 0.053 0.06 0.066 0.099 0.066 0.075 0.064 0.045 0.083 0.062 0.074 0.094 0.07 0.07 0.071 0.06 0.069 0.073 0.079 0.096 0.081 0.058 0.06 0.073 0.066 0.054 0.07 0.094 0.059 0.06 0.067 0.07 0.072 0.064 0.078 0.053 0.081 0.087 0.064 0.067 0.086 0.073 0.068 0.079 0.066 0.092 0.066 0.1 C5:1 0.054 0.033 0.03 0.028 0.043 0.028 0.033 0.036 0.034 0.028 0.04 0.039 0.027 1.15 0.042 0.041 0.033 1.05 0.038 0.035 0.03 0.028 0.038 0.913 0.047 0.041 0.086 0.041 0.035 0.038 0.04 0.031 0.0285 0.781 0.045 0.031 0.037 0.029 0.036 0.035 0.037 0.048 0.097 0.037 0.034 0.03 0.026 0.043 0.059 0.029 0.038 0.029 0.04 0.046 0.043 0.038 0.043 0.044 0.039 0.041 0.042 0.06 0.05 0.047 0.088 0.059 0.04 0.02 0.066 0.049 0.035 0.05 0.041 0.045 0.024 0.061 0.039 0.042 0.029 0.031 0.034 0.043 0.057 0.048 0.044 0.026 0.057 0.048 0.056 0.037 0.061 0.043 0.058 C5:1-DC 0.0255 0.016 0.018 0.018 0.017 0.024 0.019 0.022 0.02 0.023 0.025 0.026 0.015 0.921 0.02 0.022 0.016 0.708 0.022 0.018 0.021 0.013 0.015 0.899 0.016 0.021 0.026 0.016 0.023 0.021 0.017 0.013 0.0175 0.507 0.019 0.02 0.024 0.019 0.016 0.018 0.017 0.022 0.029 0.018 0.022 0.019 0.02 0.021 0.03 0.02 0.022 0.021 0.024 0.015 0.019 0.015 0.022 0.019 0.018 0.017 0.011 0.019 0.022 0.022 0.02 0.031 0.019 0.012 0.021 0.023 0.016 0.019 0.018 0.017 0.017 0.015 0.019 0.025 0.013 0.015 0.017 0.023 0.034 0.018 0.015 0.02 0.0245 0.021 0.02 0.021 0.026 0.02 0.037 C6 (C4:1-DC) 0.12 0.078 0.057 0.028 0.037 0.053 0.029 0.05 0.035 0.04 0.038 0.085 0.051 0.221 0.092 0.104 0.109 0.274 0.113 0.046 0.079 0.056 0.041 0.236 0.124 0.054 0.091 0.049 0.1 0.123 0.088 0.077 0.044 0.224 0.072 0.06 0.144 0.044 0.055 0.071 0.047 0.079 0.087 0.161 0.127 0.049 0.076 0.083 0.176 0.103 0.043 0.093 0.122 0.088 0.068 0.095 0.074 0.081 0.101 0.06 0.074 0.06 0.107 0.054 0.116 0.135 0.059 0.07 0.093 0.063 0.045 0.075 0.063 0.053 0.04 0.075 0.052 0.09 0.053 0.067 0.107 0.117 0.111 0.098 0.071 0.038 0.0905 0.084 0.089 0.08 0.136 0.054 0.101 C5-DC (C6-OH) 0.0305 0.015 0.02 0.006 0.014 0.024 0.019 0.013 0.017 0.015 0.018 0.019 0.024 0.501 0.016 0.031 0.029 0.503 0.019 0.027 0.022 0.011 0.021 0.706 0.029 0.016 0.048 0.027 0.016 0.025 0.018 0.016 0.0165 0.406 0.026 0.015 0.014 0.018 0.016 0.024 0.021 0.023 0.06 0.019 0.033 0.013 0.025 0.024 0.039 0.015 0.015 0.029 0.019 0.026 0.018 0.024 0.026 0.016 0.026 0.018 0.021 0.025 0.027 0.027 0.043 0.027 0.022 0.016 0.027 0.035 0.017 0.026 0.022 0.016 0.022 0.024 0.024 0.02 0.019 0.019 0.015 0.023 0.031 0.015 0.023 0.022 0.0245 0.035 0.031 0.026 0.024 0.024 0.036 C6:1 0.017 0.01 0.013 0.009 0.012 0.014 0.011 0.013 0.013 0.015 0.017 0.015 0.018 0.145 0.013 0.018 0.014 0.161 0.016 0.019 0.016 0.016 0.011 0.103 0.013 0.011 0.024 0.014 0.014 0.018 0.014 0.011 0.0175 0.102 0.012 0.012 0.015 0.015 0.013 0.011 0.013 0.017 0.017 0.024 0.016 0.013 0.012 0.013 0.027 0.014 0.011 0.02 0.012 0.017 0.015 0.015 0.018 0.016 0.037 0.012 0.018 0.015 0.013 0.022 0.019 0.017 0.016 0.015 0.017 0.019 0.014 0.013 0.011 0.018 0.016 0.017 0.015 0.015 0.014 0.011 0.016 0.019 0.016 0.017 0.026 0.023 0.017 0.017 0.021 0.016 0.034 0.01 0.02 C7-DC 0.0305 0.023 0.019 0.01 0.019 0.017 0.013 0.019 0.012 0.014 0.013 0.022 0.026 0.773 0.02 0.031 0.037 0.31 0.024 0.02 0.049 0.02 0.02 0.298 0.036 0.014 0.034 0.033 0.035 0.0395 0.028 0.029 0.026 0.308 0.028 0.017 0.036 0.012 0.023 0.017 0.02 0.025 0.031 0.033 0.033 0.025 0.036 0.021 0.056 0.034 0.015 0.022 0.044 0.022 0.027 0.04 0.019 0.048 0.045 0.036 0.029 0.029 0.044 0.03 0.05 0.043 0.026 0.019 0.043 0.023 0.018 0.029 0.026 0.022 0.018 0.025 0.037 0.038 0.018 0.021 0.024 0.036 0.04 0.015 0.03 0.011 0.0285 0.029 0.037 0.034 0.05 0.025 0.028 C8 0.177 0.124 0.107 0.074 0.087 0.087 0.078 0.116 0.089 0.085 0.09 0.154 0.126 3.88 0.161 0.243 0.284 2.82 0.421 0.131 0.247 0.158 0.129 2.2 0.341 0.112 0.186 0.19 0.254 0.2905 0.199 0.163 0.126 2.26 0.165 0.083 0.227 0.113 0.161 0.1 0.123 0.142 0.135 0.182 0.226 0.128 0.171 0.155 0.355 0.234 0.091 0.171 0.324 0.168 0.146 0.2 0.144 0.284 0.237 0.139 0.13 0.169 0.262 0.129 0.247 0.297 0.141 0.097 0.219 0.106 0.112 0.156 0.146 0.128 0.082 0.164 0.153 0.247 0.076 0.123 0.264 0.217 0.214 0.188 0.178 0.112 0.17 0.235 0.214 0.21 0.348 0.159 0.134 C9 0.081 0.026 0.03 0.018 0.023 0.026 0.034 0.022 0.019 0.029 0.03 0.049 0.031 0.76 0.03 0.046 0.048 1.36 0.029 0.035 0.038 0.027 0.033 1.35 0.043 0.025 0.097 0.045 0.046 0.0335 0.062 0.027 0.0345 1.62 0.034 0.024 0.034 0.024 0.026 0.051 0.041 0.036 0.096 0.039 0.045 0.037 0.041 0.045 0.052 0.031 0.021 0.039 0.04 0.041 0.032 0.035 0.065 0.049 0.043 0.046 0.044 0.034 0.059 0.042 0.08 0.057 0.057 0.032 0.077 0.028 0.023 0.056 0.084 0.036 0.039 0.042 0.039 0.058 0.029 0.032 0.036 0.089 0.04 0.044 0.036 0.025 0.043 0.052 0.065 0.042 0.074 0.034 0.051 Ac-Orn 0.2235 0.968 1.17 0.482 1.23 0.9 0.819 0 0.349 4.2 0.353 2.86 2.4 0 1.65 2.59 1.35 1.69 0.891 0.671 1.23 0.536 0 1.73 0 0 0 2.54 0 0.555 0 0.643 0.6015 0 0.704 1 0.94 2.61 0.568 2.25 0.898 0 2.4 1.15 0.576 0.825 2.99 1.53 2.39 0.5 0 0.33 0 0.672 1.58 2.26 0.474 0.572 0 0.951 0.676 0 0 2.09 2.62 0 1.59 1.88 0.817 1.19 0 0.721 0.738 0 0.319 1.1 1.26 0.41 2.55 1.09 0 0.376 0.623 1.61 0.741 0.302 2.065 1.73 0.329 0.701 1.51 3.76 0.825 ADMA 0.8625 0.63 1.04 0.34 0.639 0.402 0.38 0.46 1.15 0.512 1.06 0.682 0.891 0.757 0.627 0.743 0.485 0.808 0.66 0.467 0.59 0.39 0.82 0.653 0.401 1.22 0.73 0.68 0.719 0.731 0.626 0.701 0.625 0.71 0.693 0.722 0.678 0.782 0.877 0.726 0.734 0.915 0.626 0.945 0.599 1.1 0.603 0.767 0.439 0.417 0.668 0.705 1.04 0.613 0.705 0.765 0.556 0.609 0.628 0.684 0.54 0.535 0.848 0.811 0.762 0.78 0.561 0.738 0.503 0.791 0.813 0.727 0.506 0.632 0.696 0.677 0.775 0.651 0.587 0.674 0.817 0.836 0.829 0.518 0.484 0.7985 0.678 0.649 0.75 0.892 0.604 0.867 SDMA 2.09 2.46 1.79 0.673 0.907 2.62 0.732 1.27 0.969 1.31 0.955 1.93 1.65 1.56 2.4 1.74 2.24 1.07 1.52 1.45 1.05 1.69 1.15 1.44 2.28 1.31 3.99 1.6 1.65 1.225 1.69 1.67 1.274 1.59 1.43 2.8 2.3 1.18 1.75 5.01 2.36 3.4 0.622 2.89 3.74 1.04 1.33 1.85 3.53 2.03 1.93 1.34 1.59 2.1 1.51 1.4 1.39 1.92 1.28 4.47 1.85 1.66 1.99 2.02 1.21 1.87 1.47 1.06 1.93 2.44 1.03 1.89 1.54 1.4 0.872 3.65 2.78 4.33 1.32 1.34 1.25 2.1 5.72 2.61 2.56 1.3 4.22 0.803 1.45 0.683 1.59 1.42 2.22 cis-OH-Pro 12.85 15.7 36.3 3.1 9.23 51.6 9.86 9.99 11.3 9.49 9.7 19 33.1 19.8 21.3 15.2 22 11.8 23.3 20.9 13.4 18.2 0 15.1 0 0 0 36.3 0 16.25 0 0 11.8 29.2 0 22.6 0 0 0 24.2 28.5 0 0 21.8 0 23.5 28 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Carnosine 0.014 0.161 0.16 0 0 0.151 0 0.153 0 0 0 0 0 0.156 0.161 0.17 0.159 0.158 0.156 0.156 0 0 0.161 0.156 0.165 0 0.285 0.152 0.173 0.081 0.168 0.199 0.0885 0.151 0.166 0 0.278 0.164 0.169 0.154 0 0.163 0.083 0.159 0 0 0.157 0.168 0 0 0 0 0.178 0.248 0.167 0 0.209 0 0.202 0.162 0.193 0.164 0.182 0.001 0.056 0.173 0 0 0.006 0 0.166 0 0.009 0.276 0 0 0 0.173 0 0.167 0 0.114 0 0.322 0.169 0 0.0205 0.181 0 0 0.243 0 0 Creatinine 349.5 136 119 51.5 142 71.8 43.7 78.1 147 65.2 116 131 134 154 165 142 75 164 170 90.1 88.7 76.6 135 136 93.1 679 154 132 151 126 93.6 197 111 143 155 125 117 153 134 120 113 564 133 153 105 226 140 367 111 73.9 124 181 266 187 154 251 93.7 116 125 199 184 133 140 492 219 133 173 278 117 123 312 229 153 163 178 198 225 138 131 93.4 226 249 201 90.7 65.2 287.5 297 292 135 256 189 380 DOPA 0.1555 0.322 0 0 0.304 0 0 0 0 0.265 0 0 0.3 0 0 0 0 0.301 0.317 0 0 0 0 0 0 0 0 0.074 0.374 0 0 0 0.3 0 0.31 0.224 0 0 0.333 0 0 0.528 0.293 0 0.289 0 0 0 0.114 0 0 0.115 0.196 0 0 0.124 0 0.137 0 0.096 0 0 0 0 0 0 0 0 0 0 0 0 0.231 0 0 0 0.681 0 0 0.109 0.652 0 0.383 0 0 0 0.668 0 0 0.752 0 0 Dopamine 0.4015 0.46 0.421 0.419 0.451 0.417 0.431 0 0.419 0.417 0.44 0.508 0.418 0.416 0.485 0.421 0.419 0.418 0.419 0 0.421 0.122 0.417 0.085 0.079 0.132 0.417 0.081 0.2095 0.081 0.08 0.531 0.422 0.081 0.416 0.279 0.081 0.079 0.423 0.422 0.08 0.479 0.418 0.302 0.416 0.425 0.1 0.334 0 0.079 0 0.097 0.269 0.084 0.078 0.186 0.085 0.194 0.086 0.187 0.08 0.078 0.302 0.469 0.087 0.304 0.308 0.35 0 0.078 0.344 0.4 0.647 0.384 0.392 0.329 0.937 0.401 0.083 0.078 0.842 0.306 0.594 0.078 0 0.434 1.09 0.332 0.299 1.39 0.365 0.325 Histamine 0.33 0.613 0.569 0.559 0.552 0.573 0.556 0.563 0.57 0.574 0.573 0.579 0.577 0.574 0.597 0.567 0.571 0.565 0.572 0.623 0.56 0.582 0.117 0.569 0.122 0.118 0.128 0.605 0.129 0.361 0.129 0.124 0.3795 0.575 0.125 0.574 0.48 0.119 0.129 0.587 0.575 0.12 0.156 0.573 0.065 0.567 0.597 0.138 0.08 0.116 0.132 0.059 0.128 0.311 0.119 0.117 0.181 0.124 0.246 0.134 0.199 0.121 0.122 0.067 0.16 0.132 0.118 0.068 0.111 0.051 0.119 0.074 0.124 0.453 0.1 0.058 0.06 0.459 0.057 0.131 0.124 0.411 0.07 0.62 0.118 0.298 0.1425 0.543 0.07 0.059 0.902 0.073 0.067 Kynurenine 2.14 4.41 3.27 0.801 1.63 2.55 1.93 1.24 1.69 3.56 2.18 4.24 4.55 6.59 3.56 5.5 3.18 1.62 3.58 2.93 2.65 2.11 3.59 3 2.98 3.16 5.75 3.21 4.51 3.655 2.99 3.19 3.575 2.56 4.05 3.06 2.72 2.27 4.56 4.07 3.34 4.96 2.54 3.61 4.5 2.36 10.5 3.76 4.97 2.11 2.17 2.26 3.61 3.58 3.18 5.05 3.58 3.52 2.29 5.15 3.4 5.31 4.87 3.95 3.03 3.7 3.49 3.29 4.03 2.72 3.5 3 3.14 2.98 4.35 3.6 3.95 3.51 2.16 1.55 2.63 3.84 3.84 3.92 2.33 1.66 4.04 5.4 3.14 3.46 3.96 3.22 3.42 Met-SO 1.15 1.13 1.97 0.783 1.13 2.8 0.995 0.808 1.29 1.55 0.872 2.01 1.13 1.32 1.09 1.33 4.28 0.781 1.11 1.17 0.87 2.82 0.684 1.06 1.11 0.881 2.38 1.21 0.863 0.7465 0.965 1.22 4.085 1.67 1.51 2.12 1 1.16 1.02 2.5 1.38 1.8 0.366 2.06 1.47 1.49 1.86 1.4 0.702 1.29 0.691 0.596 1.08 1.13 1.73 0.84 0.977 0.757 1.05 1.81 0.883 0.621 1.05 0.65 0.775 1.31 0.906 0.405 0.586 0.426 1.18 0.513 0.561 1.01 1.34 1.21 0.781 7.19 0.837 0.986 1.2 1.18 1.88 1.54 1.2 0.993 1.0385 0.637 0.584 0.961 1.2 1.08 0.973 Nitro-Tyr1) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.145 0 0 0 0 0 0 0 0 0 0 0 0.435 0 0 0 0 0 0.013 0 0 0 0 0 0 0 0 0 0 0.281 0 0 0.184 0 0.243 0 0.199 0 0 0 0 0 0 0 0 0 0 0 0 0.457 0 0 0 0.254 0 0 0 0.169 0 0.529 0.149 0 0 0.315 0 0 0.483 0 0 PEA 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.001 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.026 0 0 0 0 0 0 0 0 0 0.017 0 0 0 0 0 0 0.032 0 0 Putrescine 0.1525 0.138 0.259 10.1 0.087 0.2 0.108 0.068 0.112 0.238 0.092 0.224 0.223 0.172 0.362 0.322 0.086 0.1 0.263 0.184 0.143 0.375 0.066 0.24 0.106 0.129 0.17 0.185 0.263 0.916 0.126 0.263 0.94 0.104 0.149 0.115 0.096 0.066 0.18 0.355 0.259 0.267 0.083 0.267 0.207 0.176 0.548 0.16 0.641 0.055 0.176 0.073 0.211 0.126 0.191 0.096 0.159 0.051 0.174 0.257 0.151 0.165 0.082 0.134 0.217 0.197 0.097 0.105 0.181 0.134 0.159 0.086 0.119 0.059 0.084 0.112 0.129 0.103 0.236 0.105 0.097 0.069 0.139 0.082 0.152 0.174 0.1435 0.137 0.075 0.133 0.174 0.09 0.079 Serotonin 0.736 0.29 0.56 0.045 0.739 0.067 0.07 0.064 0.059 0.135 0.342 0.08 0.051 1.53 0.852 0.649 0.342 2.08 0.444 0.166 0.35 0.15 0.433 0.158 0.036 0.761 0.642 1.13 1.68 0.455 0.743 0.921 0.605 0.872 0.062 0.944 0.642 1.12 1.11 0.31 0.131 0.135 1.13 0.497 0.797 1.68 0.423 1.07 0.029 0.22 0.346 0.46 1.04 0.054 0.236 0.716 0.213 0.905 0.796 0.192 0.8 0.207 0.495 0.549 0.162 0.037 0.343 0.438 0.926 0.47 0.269 0.306 0.066 0.373 0.488 0.205 0.186 0.096 0.087 0.176 0.751 0.138 0.447 0.132 0.99 0.056 0.484 0.253 0.324 0.279 0.342 1.09 Spermidine 0.248 0.219 0.342 5.04 0.142 0.362 0.253 0.708 0.247 0.369 0.161 0.277 0.216 0.204 0.726 0.29 0.262 0.177 0.545 0.323 0.205 0.428 0.121 0.383 0.279 0.187 0.496 0.335 0.345 0.8995 0.249 0.321 0.3925 0.238 0.307 0.205 0.442 0.22 0.379 0.4 0.361 0.451 0.23 0.313 0.282 0.223 0.459 0.24 0.386 0.15 0.23 0.122 0.383 0.319 0.204 0.215 0.318 0.202 0.306 0.427 0.328 0.261 0.2 0.191 0.355 0.444 0.166 0.199 0.18 0.273 0.342 0.274 0.149 0.208 0.146 0.254 0.287 0.26 0.28 0.166 0.211 0.312 0.203 0.331 0.27 0.896 0.248 0.396 0.183 0.262 0.467 0.189 0.176 Spermine 0.283 0.371 0.41 1.07 0.241 0.3 0.264 0.286 0.262 0.334 0.259 0.297 0.257 0.295 0.435 0.286 0.333 0.266 0.407 0.42 0.28 0.332 0.205 0.284 0.229 0.228 0.258 0.304 0.277 0.721 0.225 0.288 0.322 0.32 0.27 0.301 0.327 0.222 0.265 0.359 0.291 0.362 0.268 0.336 0.305 0.276 0.379 0.237 0.294 0.207 0.259 0.255 0.263 0.288 0.211 0.21 0.289 0.216 0.294 0.254 0.298 0.231 0.226 0.25 0.293 0.222 0.332 0.286 0.292 0.37 0.238 0.259 0.258 0.265 0.259 0.302 0.267 0.338 0.272 0.218 0.253 0.353 0.293 0.37 0.216 2.05 0.2575 0.812 0.254 0.294 0.404 0.263 0.294 trans-OH-Pro 24.3 15.4 35 2.97 9.52 49.6 9.64 9.78 11.4 9.3 9.39 19 32.5 19 20.9 15 21.5 10.8 22.4 21.2 13.1 18.2 8.73 15 11.8 7.88 26.4 37.1 18.4 32.8 19.1 9.62 20.95 29 17.8 22.8 13.6 25.7 33.9 24.4 28.4 30.2 6.73 21 14.4 22.3 27.3 27.2 33 22.4 21.5 14 9.64 17.9 34 20.3 13.4 11.3 21.8 17.2 12.8 23.5 31.8 39.5 17.9 31.4 18.6 22.5 17.9 11 28 20.3 15.9 25.2 17.3 12.5 17.6 23.9 9.73 20.3 13 26.6 40 39.8 25.7 10.2 15 20.4 28.3 27 52.3 28.9 49.4 Taurine 125.5 83.9 188 34.8 165 33 36.1 55.2 193 45.4 130 53.7 121 215 125 156 63.9 324 135 57.9 102 54.1 119 108 33.8 173 90.5 169 394 72.8 151 157.5 123 186 155 185 95.9 161 272 115 181 77.7 211 114 115 202 132 137 57.4 66.9 137 123 145 72.2 82.3 129 84.2 159 169 107 126 103 99 98.1 92 129 129 96 122 149 100 86.7 53.6 99.6 141 104 71.9 114 58.5 90.6 136 187 93.6 85.3 206 110.5 80.4 96 165 103 109 219 Ala 612 548 1020 582 189 775 247 217 349 777 370 660 596 742 698 423 497 306 644 599 354 411 355 557 639 397 611 653 584 637 510 641 666.5 766 567 643 526 532 720 772 685 607 1020 735 829 393 599 469 536 627 520 472 371 518 640 460 485 453 500 374 736 476 583 387 531 400 775 362 534 454 419 478 649 641 308 356 728 544 444 475 437 531 519 603 511 379 376 443 828 742 578 493 Arg 149.5 71.1 149 102 34.5 165 39.2 11.7 39.3 62.2 33.1 78.8 83 100 92.9 95.6 161 62 121 143 74.6 91.6 57.3 66.7 85.9 68 103 151 60.8 105.5 119 72.8 136.5 162 111 148 141 130 85.3 214 45.4 148 107 94.2 86.5 88.8 142 146 128 92.6 107 87.1 66.5 112 127 82.8 87.5 83.3 81.5 101 106 118 160 84.4 79.7 83.9 139 97.8 48.1 73 81 76.9 98.2 60.7 74.3 115 136 136 113 153 68.3 115 128 146.5 121 63.2 134 16.7 73.2 122 117 74.1 132 Asn 62.25 47.6 110 86.6 23.8 94 33.1 30.8 40.3 91.9 42.2 85.3 54.6 71.8 82.7 60.8 49.2 42.2 81 60.8 45.5 47.2 35.8 74.4 62 37.2 93.6 94.6 72.1 89.7 75.4 63 81.95 72.3 67.4 80.5 54.6 86.4 74 122 90.3 78.3 106 111 72.5 53.5 75.4 66.6 53.9 72.6 52.7 43.5 64.1 53 62.7 59.5 61.4 61.7 50.5 69.4 94.2 56.2 56.7 46.5 62.5 83.4 81.7 70.1 67.7 71 73.1 44.4 66.2 76.7 41.5 76.8 79.9 74.4 60.1 77.7 51.5 53.5 68.9 91.15 58.2 54.9 43.9 87.9 51.4 77.5 68.2 63.5 74.9 Asp 10.395 12.2 29.8 4.55 5.8 16.5 6.58 7.67 15.2 35.3 10.6 19.8 11.8 16.6 28.2 11.1 27.7 7.94 27.4 14.9 10.3 23.9 13.2 17.9 6.06 11 8.24 12.3 9.53 30.65 15.8 20.4 17.25 18.6 18.9 20.5 9.5 4.59 25.9 26.9 15.4 20.6 6.05 16.3 27.9 18.1 14.4 34.4 14.8 21.3 11.8 10.1 11.2 16.6 18.3 10.4 15.2 14.5 16.4 22.8 22.8 9.67 16.1 17.4 4.61 21.9 3.81 11.6 10.1 13.8 17.6 14.9 11 23 7.22 6.57 6.93 7.92 6.54 7.73 3.78 4.12 20.7 12.065 8.17 5.42 17.9 142 3.43 8.07 18 14.1 2.79 Cit 31.95 54.6 64.4 44.9 24.3 35.3 19.7 17.1 27.7 72.9 37.5 55.4 43.5 36.4 49.7 62.8 52.9 28.2 29.4 60.9 30.3 28.2 33 47.6 33.3 52.6 56.4 59.9 48.4 28.8 67.1 51.4 49.05 39 60.3 46.4 39.7 39.4 45.9 50.7 37 54.7 53.9 60.3 15.2 43.8 34.4 72.4 54.9 65.9 29.8 37.1 40.5 51.7 50.1 46 60.1 30.2 51.2 45.5 76.8 59.4 59.1 27.9 33 69.5 57.4 32.4 47.5 47.6 42.1 40.9 51.3 33.5 39.9 53.3 65 48.9 37.7 22.6 38 41.1 87.3 98.55 65.4 33.4 27.1 44.8 69.9 66.7 51.9 45.4 Gln 768 695 935 983 264 651 361 222 388 852 611 779 870 968 983 792 275 463 882 961 598 473 386 755 745 580 918 1050 800 1185 901 736 654.5 622 883 753 836 907 962 1140 897 691 1030 1460 993 658 806 793 757 1140 535 584 933 670 816 830 1030 692 781 641 901 804 806 628 894 988 993 1020 895 999 879 398 953 1110 686 1190 851 1030 917 869 709 1070 1010 918.5 751 735 428 230 708 1040 955 1050 1090 Glu 226 145 242 127 35.8 372 100 91.5 113 273 131 202 82.3 136 252 57.7 644 128 158 76.7 109 471 56.4 116 72.5 98.6 156 95.8 125 249 176 388 369.5 376 127 160 96.6 108 150 233 125 291 178 85.4 254 260 176 343 66.9 63.9 166 81.4 188 188 165 82.4 111 178 111 185 191 133 73.7 148 85.3 141 97.4 117 118 117 133 308 175 121 51 84.1 170 185 206 279 65.4 114 308 157 144 81.9 233 1180 88.2 206 385 183 59.9 Gly 330.5 221 519 324 168 353 193 111 245 390 225 419 307 342 347 321 340 190 417 370 281 275 254 399 238 246 345 652 304 502 621 297 473 311 376 354 264 477 399 505 313 305 306 495 337 357 497 561 294 374 221 199 277 234 227 565 330 240 334 319 400 382 328 290 318 443 389 413 275 255 412 361 205 331 263 483 268 258 226 319 305 230 305 358.5 254 238 177 110 265 303 313 245 365 His 100.95 105 122 128 36.3 143 52.8 57.6 65.2 149 88 142 122 140 136 119 133 89.8 106 114 71.7 110 65.5 102 111 84.3 133 139 114 114.5 121 138 128.5 131 127 126 122 119 133 166 155 141 111 149 164 82.7 114 150 142 121 117 86.8 98.8 117 116 123 119 114 96.2 116 169 91.4 128 103 111 104 145 78.1 111 111 106 96.1 111 103 83.4 132 122 128 105 104 111 150 156 130 101 103 79.9 47.8 79 116 121 109 134 Ile 96.8 98.7 125 123 36.3 153 58.9 45.4 60.7 108 67.3 124 82.1 109 128 81.2 120 84.5 108 123 67 141 62.3 99.9 91.9 71.4 147 132 90.5 167.5 84.4 83.9 170 166 97.4 157 96.2 76.5 94.7 242 123 156 93.6 104 175 82.9 98.9 99 90.4 85.6 151 99.7 107 83.4 127 67.4 83.5 95.9 92.6 73.4 158 81.8 61 97.8 75.9 127 90.8 113 84.7 101 68.8 76.3 140 83.4 78.5 121 98.4 191 123 147 73.5 87 258 145.5 129 121 88.2 37.3 60.3 203 111 97.8 136 Leu 172 184 205 226 61.6 271 107 97.2 127 178 153 233 164 219 250 161 195 156 189 193 132 223 123 161 193 137 220 230 196 235.5 188 193 266.5 273 183 256 187 130 203 390 228 323 174 203 303 143 186 186 212 165 274 181 201 154 249 137 164 179 192 172 312 150 126 174 132 211 185 149 167 209 136 142 236 129 144 234 181 296 223 264 163 177 398 259.5 230 236 179 75.4 131 340 209 193 237 Lys 383.5 252 402 328 98.8 338 153 128 187 300 221 413 275 342 399 203 268 164 294 275 221 254 157 290 245 189 410 322 288 274 337 287 380.5 296 296 331 295 218 290 485 356 422 338 367 305 182 264 275 305 315 251 183 303 256 233 226 211 189 252 232 410 222 269 208 218 238 390 292 237 317 251 191 308 261 171 268 258 302 283 345 213 281 539 421 229 307 248 108 207 389 312 300 355 Met 32.5 26.1 58.9 30.9 13.4 53.1 17.6 8.9 19 29.4 19.2 42.4 23.2 39.5 37.6 33.8 28.3 16.2 42.2 38.9 27 24.6 19.8 29.5 37.8 26.8 47.8 42.5 39.7 50.7 31.4 32.7 43.45 50.2 37.5 46.8 37.1 26.2 40.9 81.2 35.7 50.9 52.3 39.8 36 17.1 48.3 41.3 35.5 31.8 45.5 23 33.6 29.8 44.9 30 32.2 28.6 25.6 29.6 60.4 26.1 34.5 25.5 30 29 43 29.5 26.5 28 22.4 22.1 31.7 32.8 31.7 38.8 29 50.1 32.7 46 31.2 38.5 49.7 48.5 36.7 40.1 33.6 10.5 22.9 49.3 29.5 35 27.9 Orn 127 118 196 124 57.9 142 92.7 85.6 117 197 158 219 147 164 172 92 108 108 101 124 113 84.2 74.5 146 91.9 105 192 106 141 95.85 168 156 139 112 171 131 68.5 133 136 164 159 170 157 184 81.1 77.3 92 128 131 156 136 109 168 89.8 103 91.3 104 94.8 97.6 98.1 256 90.9 83.7 95.5 74.2 109 165 85.1 151 136 118 151 130 134 75.8 126 96.7 112 96.4 100 82.7 84.7 264 209 84.3 123 56.5 65 99.1 201 143 151 170 Phe 96.5 94.6 141 93 39.6 126 64 50.8 62.2 109 60.4 112 90.2 132 122 102 96.5 65.8 105 109 69.8 75.5 61.9 104 126 72.8 115 104 92.4 108 88.8 92.3 113 129 96.4 114 89.8 62.6 80.2 186 105 150 131 114 109 83.8 93.3 144 93.3 102 104 68.7 88.4 95.3 99.7 79.5 79.3 95.5 80.8 75.5 145 83.8 78.8 90.4 81.5 84.1 105 73 83.8 91.8 87.4 73.4 114 78.7 68.1 111 94.7 133 107 127 69 98.6 150 126 98.5 82.7 69.8 37.2 68.5 158 117 87.1 113 Pro 272 253 454 365 130 389 145 73.8 163 304 256 550 316 418 332 269 253 237 254 320 252 297 261 236 427 231 414 318 245 440.5 436 341 310.5 409 320 327 307 386 277 530 388 343 392 394 412 241 310 338 301 449 395 256 318 265 279 286 449 352 227 147 577 322 249 372 390 235 344 205 283 324 310 207 352 275 230 357 455 288 272 276 225 297 326 293 325 209 219 65.4 200 514 330 510 328 Ser 131 79.6 218 131 41.5 169 59.3 56.6 85.4 141 92.8 182 84.8 133 144 114 174 70.8 158 146 114 78.6 66.7 160 105 66.3 153 193 156 213 169 135 161.5 168 140 164 124 151 170 231 146 155 128 163 128 82.2 173 143 116 141 119 75.5 115 94.4 145 127 104 152 117 164 160 114 98.3 134 77.9 117 133 103 106 118 108 110 90.4 127 103 189 112 149 147 145 101 130 117 174.5 143 134 103 50.6 98 136 94.6 163 153 Thr 226 146 341 215 58.5 230 68.7 57 111 223 111 209 116 159 146 136 186 93.4 201 184 124 177 83.4 171 155 111 333 293 212 199 179 165 214 202 205 236 144 229 255 307 206 172 201 224 139 116 153 170 200 193 182 140 179 122 205 167 196 137 118 204 217 132 211 121 160 158 195 252 193 177 180 147 161 217 141 194 191 162 146 193 140 186 186 227.5 221 167 135 111 204 155 247 187 Trp 75.9 80.7 86.1 94.1 27.2 91.4 43.4 27 34.8 82.3 41.7 64.8 72.3 88.9 62 85.5 93.2 37.1 113 41.8 58 72.2 45.3 86.8 80.8 54.3 97.4 84.8 91.6 81.5 75.4 82.9 93.75 92.8 91.7 87.9 67.5 73.5 117 121 98.7 136 95.8 102 80.9 67.7 98.8 64.5 74.4 104 70.2 57 63.7 80.5 77.2 54.3 77.1 68.4 76 65.8 127 59.3 82.7 56.4 63.6 121 87.3 111 84.6 77.3 64.7 77.9 77.4 62 59.1 83.3 71.4 117 97.7 88.7 50.1 60.9 138 115.5 68.8 81.1 47.8 23.5 60.4 108 87.4 73 84.3 Tyr 90.05 105 151 101 35.8 186 64.7 36 55.7 98.1 74.1 161 75.8 128 111 127 111 64.1 134 121 63.1 94.5 64.6 91 92 86.7 139 98.7 112 118 94.7 112 131 143 80.2 132 98 65.6 86.9 196 131 185 151 115 97 65.7 111 95.2 112 118 103 67 83.5 89.9 138 86.7 81.3 97.4 79.8 80 147 99.8 89.4 80.4 78.9 90.2 107 87.1 83.3 99.5 68.4 79.7 115 85.5 72.2 91.7 91.1 142 140 138 59.5 122 144 141 129 101 87 31.7 63.1 140 75.2 105 86.6 Val 255 294 302 391 115 411 155 148 159 306 223 363 283 304 399 265 304 242 233 302 207 334 217 249 292 219 445 344 310 286.5 299 323 370.5 356 298 381 303 233 291 544 389 450 296 314 453 272 247 301 332 308 409 337 310 245 394 294 297 266 383 275 509 300 247 345 233 308 315 242 283 377 219 216 409 221 255 345 290 509 416 374 256 269 552 439.5 368 340 243 107 213 495 348 324 450 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Full Name Class lysoPC a C14:0 lysoPhosphatidylcholine acyl C14:0 Glycerophospholipids lysoPC a C16:0 lysoPhosphatidylcholine acyl C16:0 Glycerophospholipids lysoPC a C16:1 lysoPhosphatidylcholine acyl C16:1 Glycerophospholipids lysoPC a C17:0 lysoPhosphatidylcholine acyl C17:0 Glycerophospholipids lysoPC a C18:0 lysoPhosphatidylcholine acyl C18:0 Glycerophospholipids lysoPC a C18:1 lysoPhosphatidylcholine acyl C18:1 Glycerophospholipids lysoPC a C18:2 lysoPhosphatidylcholine acyl C18:2 Glycerophospholipids lysoPC a C20:3 lysoPhosphatidylcholine acyl C20:3 Glycerophospholipids lysoPC a C20:4 lysoPhosphatidylcholine acyl C20:4 Glycerophospholipids lysoPC a C24:0 lysoPhosphatidylcholine acyl C24:0 Glycerophospholipids lysoPC a C26:0 lysoPhosphatidylcholine acyl C26:0 Glycerophospholipids lysoPC a C26:1 lysoPhosphatidylcholine acyl C26:1 Glycerophospholipids lysoPC a C28:0 lysoPhosphatidylcholine acyl C28:0 Glycerophospholipids lysoPC a C28:1 lysoPhosphatidylcholine acyl C28:1 Glycerophospholipids PC aa C24:0 Phosphatidylcholine diacyl C24:0 Glycerophospholipids PC aa C26:0 Phosphatidylcholine diacyl C26:0 Glycerophospholipids PC aa C28:1 Phosphatidylcholine diacyl C28:1 Glycerophospholipids PC aa C30:0 Phosphatidylcholine diacyl C30:0 Glycerophospholipids PC aa C30:2 Phosphatidylcholine diacyl C30:2 Glycerophospholipids PC aa C32:0 Phosphatidylcholine diacyl C32:0 Glycerophospholipids PC aa C32:1 Phosphatidylcholine diacyl C32:1 Glycerophospholipids PC aa C32:2 Phosphatidylcholine diacyl C32:2 Glycerophospholipids PC aa C32:3 Phosphatidylcholine diacyl C32:3 Glycerophospholipids PC aa C34:1 Phosphatidylcholine diacyl C34:1 Glycerophospholipids PC aa C34:2 Phosphatidylcholine diacyl C34:2 Glycerophospholipids PC aa C34:3 Phosphatidylcholine diacyl C34:3 Glycerophospholipids PC aa C34:4 Phosphatidylcholine diacyl C34:4 Glycerophospholipids PC aa C36:0 Phosphatidylcholine diacyl C36:0 Glycerophospholipids PC aa C36:1 Phosphatidylcholine diacyl C36:1 Glycerophospholipids PC aa C36:2 Phosphatidylcholine diacyl C36:2 Glycerophospholipids PC aa C36:3 Phosphatidylcholine diacyl C36:3 Glycerophospholipids PC aa C36:4 Phosphatidylcholine diacyl C36:4 Glycerophospholipids PC aa C36:5 Phosphatidylcholine diacyl C36:5 Glycerophospholipids PC aa C36:6 Phosphatidylcholine diacyl C36:6 Glycerophospholipids PC aa C38:0 Phosphatidylcholine diacyl C38:0 Glycerophospholipids PC aa C38:1 Phosphatidylcholine diacyl C38:1 Glycerophospholipids PC aa C38:3 Phosphatidylcholine diacyl C38:3 Glycerophospholipids PC aa C38:4 Phosphatidylcholine diacyl C38:4 Glycerophospholipids PC aa C38:5 Phosphatidylcholine diacyl C38:5 Glycerophospholipids PC aa C38:6 Phosphatidylcholine diacyl C38:6 Glycerophospholipids PC aa C40:1 Phosphatidylcholine diacyl C40:1 Glycerophospholipids PC aa C40:2 Phosphatidylcholine diacyl C40:2 Glycerophospholipids PC aa C40:3 Phosphatidylcholine diacyl C40:3 Glycerophospholipids PC aa C40:4 Phosphatidylcholine diacyl C40:4 Glycerophospholipids PC aa C40:5 Phosphatidylcholine diacyl C40:5 Glycerophospholipids PC aa C40:6 Phosphatidylcholine diacyl C40:6 Glycerophospholipids PC aa C42:0 Phosphatidylcholine diacyl C42:0 Glycerophospholipids PC aa C42:1 Phosphatidylcholine diacyl C42:1 Glycerophospholipids PC aa C42:2 Phosphatidylcholine diacyl C42:2 Glycerophospholipids PC aa C42:4 Phosphatidylcholine diacyl C42:4 Glycerophospholipids PC aa C42:5 Phosphatidylcholine diacyl C42:5 Glycerophospholipids PC aa C42:6 Phosphatidylcholine diacyl C42:6 Glycerophospholipids PC ae C30:0 Phosphatidylcholine acyl-alkyl C30:0 Glycerophospholipids PC ae C30:1 Phosphatidylcholine acyl-alkyl C30:1 Glycerophospholipids PC ae C30:2 Phosphatidylcholine acyl-alkyl C30:2 Glycerophospholipids PC ae C32:1 Phosphatidylcholine acyl-alkyl C32:1 Glycerophospholipids PC ae C32:2 Phosphatidylcholine acyl-alkyl C32:2 Glycerophospholipids PC ae C34:0 Phosphatidylcholine acyl-alkyl C34:0 Glycerophospholipids PC ae C34:1 Phosphatidylcholine acyl-alkyl C34:1 Glycerophospholipids PC ae C34:2 Phosphatidylcholine acyl-alkyl C34:2 Glycerophospholipids PC ae C34:3 Phosphatidylcholine acyl-alkyl C34:3 Glycerophospholipids PC ae C36:0 Phosphatidylcholine acyl-alkyl C36:0 Glycerophospholipids PC ae C36:1 Phosphatidylcholine acyl-alkyl C36:1 Glycerophospholipids PC ae C36:2 Phosphatidylcholine acyl-alkyl C36:2 Glycerophospholipids PC ae C36:3 Phosphatidylcholine acyl-alkyl C36:3 Glycerophospholipids PC ae C36:4 Phosphatidylcholine acyl-alkyl C36:4 Glycerophospholipids PC ae C36:5 Phosphatidylcholine acyl-alkyl C36:5 Glycerophospholipids PC ae C38:0 Phosphatidylcholine acyl-alkyl C38:0 Glycerophospholipids PC ae C38:1 Phosphatidylcholine acyl-alkyl C38:1 Glycerophospholipids PC ae C38:2 Phosphatidylcholine acyl-alkyl C38:2 Glycerophospholipids PC ae C38:3 Phosphatidylcholine acyl-alkyl C38:3 Glycerophospholipids PC ae C38:4 Phosphatidylcholine acyl-alkyl C38:4 Glycerophospholipids PC ae C38:5 Phosphatidylcholine acyl-alkyl C38:5 Glycerophospholipids PC ae C38:6 Phosphatidylcholine acyl-alkyl C38:6 Glycerophospholipids PC ae C40:1 Phosphatidylcholine acyl-alkyl C40:1 Glycerophospholipids PC ae C40:2 Phosphatidylcholine acyl-alkyl C40:2 Glycerophospholipids PC ae C40:3 Phosphatidylcholine acyl-alkyl C40:3 Glycerophospholipids PC ae C40:4 Phosphatidylcholine acyl-alkyl C40:4 Glycerophospholipids PC ae C40:5 Phosphatidylcholine acyl-alkyl C40:5 Glycerophospholipids PC ae C40:6 Phosphatidylcholine acyl-alkyl C40:6 Glycerophospholipids PC ae C42:0 Phosphatidylcholine acyl-alkyl C42:0 Glycerophospholipids PC ae C42:1 Phosphatidylcholine acyl-alkyl C42:1 Glycerophospholipids PC ae C42:2 Phosphatidylcholine acyl-alkyl C42:2 Glycerophospholipids PC ae C42:3 Phosphatidylcholine acyl-alkyl C42:3 Glycerophospholipids PC ae C42:4 Phosphatidylcholine acyl-alkyl C42:4 Glycerophospholipids PC ae C42:5 Phosphatidylcholine acyl-alkyl C42:5 Glycerophospholipids PC ae C44:3 Phosphatidylcholine acyl-alkyl C44:3 Glycerophospholipids PC ae C44:4 Phosphatidylcholine acyl-alkyl C44:4 Glycerophospholipids PC ae C44:5 Phosphatidylcholine acyl-alkyl C44:5 Glycerophospholipids PC ae C44:6 Phosphatidylcholine acyl-alkyl C44:6 Glycerophospholipids Glucose Glucose Sugar SM (OH) C14:1 Hydroxysphingomyeline C14:1 Sphingolipids SM (OH) C16:1 Hydroxysphingomyeline C16:1 Sphingolipids SM (OH) C22:1 Hydroxysphingomyeline C22:1 Sphingolipids SM (OH) C22:2 Hydroxysphingomyeline C22:2 Sphingolipids SM (OH) C24:1 Hydroxysphingomyeline C24:1 Sphingolipids SM C16:0 Sphingomyeline C16:0 Sphingolipids SM C16:1 Sphingomyeline C16:1 Sphingolipids SM C18:0 Sphingomyeline C18:0 Sphingolipids SM C18:1 Sphingomyeline C18:1 Sphingolipids SM C20:2 Sphingomyeline C20:2 Sphingolipids SM C22:3 Sphingomyeline C22:3 Sphingolipids SM C24:0 Sphingomyeline C24:0 Sphingolipids SM C24:1 Sphingomyeline C24:1 Sphingolipids SM C26:0 Sphingomyeline C26:0 Sphingolipids SM C26:1 Sphingomyeline C26:1 Sphingolipids C0 Carnitine Acylcarnitines C10 Decanoylcarnitine Acylcarnitines C10:1 Decenoylcarnitine Acylcarnitines C10:2 Decadienylcarnitine Acylcarnitines C12 Dodecanoylcarnitine Acylcarnitines C12-DC Dodecanedioylcarnitine Acylcarnitines C12:1 Dodecenoylcarnitine Acylcarnitines C14 Tetradecanoylcarnitine Acylcarnitines C14:1 Tetradecenoylcarnitine Acylcarnitines C14:1-OH Hydroxytetradecenoylcarnitine Acylcarnitines C14:2 Tetradecadienylcarnitine Acylcarnitines C14:2-OH Hydroxytetradecadienylcarnitine Acylcarnitines C16 Hexadecanoylcarnitine Acylcarnitines C16:1-OH Hydroxyhexadecenoylcarnitine Acylcarnitines C16:1 Hexadecenoylcarnitine Acylcarnitines C16-OH Hydroxyhexadecanoylcarnitine Acylcarnitines C16:2 Hexadecadienylcarnitine Acylcarnitines C16:2-OH Hydroxyhexadecadienylcarnitine Acylcarnitines C18 Octadecanoylcarnitine Acylcarnitines C18:1 Octadecenoylcarnitine Acylcarnitines C18:1-OH Hydroxyoctadecenoylcarnitine Acylcarnitines C18:2 Octadecadienylcarnitine Acylcarnitines C2 Acetylcarnitine Acylcarnitines C3 Propionylcarnitine Acylcarnitines C3-OH Hydroxypropionylcarnitine Acylcarnitines C3:1 Propenoylcarnitine Acylcarnitines C4 Butyrylcarnitine Acylcarnitines C4-OH (C3-DC) Hydroxybutyrylcarnitine Acylcarnitines C4:1 Butenylcarnitine Acylcarnitines C5 Valerylcarnitine Acylcarnitines C5-M-DC Methylglutarylcarnitine Acylcarnitines C5-OH (C3-DC-M) Hydroxyvalerylcarnitine (Methylmalonylcarnitine) Acylcarnitines C5:1 Tiglylcarnitine Acylcarnitines C5:1-DC Glutaconylcarnitine Acylcarnitines C6 (C4:1-DC) Hexanoylcarnitine (Fumarylcarnitine) Acylcarnitines C5-DC (C6-OH) Glutarylcarnitine* (Hydroxyhexanoylcarnitine) Acylcarnitines C6:1 Hexenoylcarnitine Acylcarnitines C7-DC Pimelylcarnitine Acylcarnitines C8 Octanoylcarnitine Acylcarnitines C9 Nonaylcarnitine Acylcarnitines Ac-Orn Acetylornithine Biogenic amines ADMA Asymmetric dimethylarginine Biogenic amines cis-OH-Pro cis-4-Hydroxyproline Biogenic amines Carnosine Carnosine Biogenic amines Creatinine Creatinine Biogenic amines DOPA DOPA Biogenic amines Dopamine Dopamine Biogenic amines Histamine Histamine Biogenic amines Kynurenine Kynurenine Biogenic amines Met-SO Methioninesulfoxide Biogenic amines Nitro-Tyr1) Nitrotyrosine Biogenic amines PEA Phenylethylamine Biogenic amines Putrescine Putrescine Biogenic amines SDMA Symmetric dimethylarginine Biogenic amines Serotonin Serotonin Biogenic amines Spermidine Spermidine Biogenic amines Spermine Spermine Biogenic amines trans-OH-Pro trans-4-Hydroxyproline Biogenic amines Taurine Taurine Biogenic amines Ala Alanine Amino acids Arg Arginine Amino acids Asn Asparagine Amino acids Asp Aspartate Amino acids Cit Citrulline Amino acids Gln Glutamine Amino acids Glu Glutamate Amino acids Gly Glycine Amino acids His Histidine Amino acids Ile Isoleucine Amino acids Leu Leucine Amino acids Lys Lysine Amino acids Met Methionine Amino acids Orn Ornithine Amino acids Phe Phenylalanine Amino acids Pro Proline Amino acids Ser Serine Amino acids Thr Threonine Amino acids Trp Tryptophan Amino acids Tyr Tyrosine Amino acids Val Valine Amino acids METABOLITES_END #END