#METABOLOMICS WORKBENCH mlhomme_20230607_035254 DATATRACK_ID:4069 STUDY_ID:ST002732 ANALYSIS_ID:AN004429 PROJECT_ID:PR001696 VERSION 1 CREATED_ON June 8, 2023, 5:46 am #PROJECT PR:PROJECT_TITLE Impaired metabolism predicts coronary artery calcification in women with PR:PROJECT_TITLE systemic lupus erythematosus PR:PROJECT_TYPE Clinical study PR:PROJECT_SUMMARY Background. Patients with systemic lupus erythematosus (SLE) exhibit a high risk PR:PROJECT_SUMMARY for cardiovascular diseases (CVD) which is not fully explained by the classical PR:PROJECT_SUMMARY Framingham risk factors. SLE is characterized by major metabolic alterations PR:PROJECT_SUMMARY which can contribute to the elevated prevalence of CVD. In order to address this PR:PROJECT_SUMMARY hypothesis, a comprehensive analysis of the circulating metabolome and lipidome PR:PROJECT_SUMMARY was conducted in a large cohort of 211 women with SLE who underwent a PR:PROJECT_SUMMARY multi-detector computed tomography scan for quantification of coronary artery PR:PROJECT_SUMMARY calcium (CAC), a robust predictor of coronary heart disease (CHD). Results. PR:PROJECT_SUMMARY Beyond traditional risk factors, including age and hypertension, disease PR:PROJECT_SUMMARY activity and duration were independent risk factor for developing CAC in women PR:PROJECT_SUMMARY with SLE. The presence of coronary calcium was associated with major alterations PR:PROJECT_SUMMARY of circulating lipidome dominated by an elevated abundance of ceramides with PR:PROJECT_SUMMARY very long chain fatty acids. Alterations in multiple metabolic pathways, PR:PROJECT_SUMMARY including purine, arginine and proline metabolism, and microbiota-derived PR:PROJECT_SUMMARY metabolites, were also associated with CAC in women with SLE. Backward stepwise PR:PROJECT_SUMMARY logistic regression models of lipidomic and metabolomic variables were used to PR:PROJECT_SUMMARY develop prognostic scores. Strikingly, combining metabolic and lipidomic PR:PROJECT_SUMMARY variables with clinical and biological parameters markedly improved the PR:PROJECT_SUMMARY prediction (area under the curve: 0.887, P<0.001) of the presence of coronary PR:PROJECT_SUMMARY calcium in women with SLE. Conclusion. The present study uncovers the PR:PROJECT_SUMMARY contribution of disturbed metabolism to the presence of coronary artery calcium PR:PROJECT_SUMMARY and the prediction of CHD in SLE. Identification of novel lipid and metabolite PR:PROJECT_SUMMARY biomarkers may help stratifying patients for reducing CVD morbidity and PR:PROJECT_SUMMARY mortality in SLE. PR:INSTITUTE INSERM PR:LAST_NAME Lhomme PR:FIRST_NAME Marie PR:ADDRESS Bd de l'hopital, Paris, Ile de France, 75013, France PR:EMAIL m.lhomme@ihuican.fr PR:PHONE +33184827767 #STUDY ST:STUDY_TITLE Impaired metabolism predicts coronary artery calcification in women with ST:STUDY_TITLE systemic lupus erythematosus ST:STUDY_SUMMARY Background. Patients with systemic lupus erythematosus (SLE) exhibit a high risk ST:STUDY_SUMMARY for cardiovascular diseases which is not fully explained by the classical ST:STUDY_SUMMARY Framingham risk factors. SLE is characterized by major metabolic alterations ST:STUDY_SUMMARY which could contribute to the elevated prevalence of CVD. In order to address ST:STUDY_SUMMARY this hypothesis, a comprehensive analysis of the circulating metabolome and ST:STUDY_SUMMARY lipidome was conducted in a large cohort of 211 women with SLE who underwent a ST:STUDY_SUMMARY multi-detector computed tomography (CT) scan for quantification of coronary ST:STUDY_SUMMARY artery calcium (CAC), a robust predictor of coronary heart disease (CHD). ST:STUDY_SUMMARY Results. Beyond traditional risk factors, including age and hypertension, ST:STUDY_SUMMARY disease activity and duration were independent risk factor for developing CAC in ST:STUDY_SUMMARY women with SLE. The presence of coronary calcium was associated with major ST:STUDY_SUMMARY alterations of circulating lipidome dominated by a high abundance of circulating ST:STUDY_SUMMARY ceramides with very long chain fatty acids. Alteration in multiple metabolic ST:STUDY_SUMMARY pathways, including purine metabolism, arginine and proline metabolism, and ST:STUDY_SUMMARY microbiota-derived metabolites, were also associated with CAC in women with SLE. ST:STUDY_SUMMARY Backward stepwise logistic regression models of lipidomic and metabolomic ST:STUDY_SUMMARY variables were used to develop prognostic scores. Strikingly, combining ST:STUDY_SUMMARY metabolic and lipidomic variables to clinical and biological parameters markedly ST:STUDY_SUMMARY improved the prediction (Area under the curve: 0.887, P<0.001) of the presence ST:STUDY_SUMMARY of coronary calcium in women with SLE. Conclusion. The present study uncovers ST:STUDY_SUMMARY the contribution of disturbed metabolism in the presence of coronary artery ST:STUDY_SUMMARY calcium and the prediction of CHD in SLE. The identification of these novel ST:STUDY_SUMMARY lipid and metabolite biomarkers may help to stratify patients for reducing CVD ST:STUDY_SUMMARY morbidity and mortality in SLE. ST:INSTITUTE INSERM ST:LAST_NAME Le Goff ST:FIRST_NAME Wilfried ST:ADDRESS 91, bd de l'Hopital ST:EMAIL wilfried.le_goff@sorbonne-universite.fr ST:PHONE +33140779638 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 228 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS P_57 P_57 Group:High RAW_FILE_NAME=SLE_P_57_short; RAW_FILE_NAME=SLE_P_57_short10x SUBJECT_SAMPLE_FACTORS P_153 P_153 Group:High RAW_FILE_NAME=SLE_P_153_short; RAW_FILE_NAME=SLE_P_153_short10x SUBJECT_SAMPLE_FACTORS P_131 P_131 Group:High RAW_FILE_NAME=SLE_P_131_short; RAW_FILE_NAME=SLE_P_131_short10x SUBJECT_SAMPLE_FACTORS P_134 P_134 Group:High RAW_FILE_NAME=SLE_P_134_short; RAW_FILE_NAME=SLE_P_134_short10x SUBJECT_SAMPLE_FACTORS P_49 P_49 Group:High RAW_FILE_NAME=SLE_P_49_short; RAW_FILE_NAME=SLE_P_49_short10x SUBJECT_SAMPLE_FACTORS P_205 P_205 Group:High RAW_FILE_NAME=SLE_P_205_short; 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RAW_FILE_NAME=SLE_P_163_short10x SUBJECT_SAMPLE_FACTORS P_194 P_194 Group:Null RAW_FILE_NAME=SLE_P_194_short; RAW_FILE_NAME=SLE_P_194_short10x SUBJECT_SAMPLE_FACTORS P_156 P_156 Group:Null RAW_FILE_NAME=SLE_P_156_short; RAW_FILE_NAME=SLE_P_156_short10x SUBJECT_SAMPLE_FACTORS P_196 P_196 Group:Null RAW_FILE_NAME=SLE_P_196_short; RAW_FILE_NAME=SLE_P_196_short10x SUBJECT_SAMPLE_FACTORS P_189 P_189 Group:Null RAW_FILE_NAME=SLE_P_189_short; RAW_FILE_NAME=SLE_P_189_short10x SUBJECT_SAMPLE_FACTORS P_21 P_21 Group:Null RAW_FILE_NAME=SLE_P_21_short; RAW_FILE_NAME=SLE_P_21_short10x SUBJECT_SAMPLE_FACTORS P_154 P_154 Group:Null RAW_FILE_NAME=SLE_P_154_short; RAW_FILE_NAME=SLE_P_154_short10x SUBJECT_SAMPLE_FACTORS P_209 P_209 Group:Null RAW_FILE_NAME=SLE_P_209_short; RAW_FILE_NAME=SLE_P_209_short10x SUBJECT_SAMPLE_FACTORS P_206 P_206 Group:Null RAW_FILE_NAME=SLE_P_206_short; RAW_FILE_NAME=SLE_P_206_short10x SUBJECT_SAMPLE_FACTORS P_182 P_182 Group:Null RAW_FILE_NAME=SLE_P_182_short; RAW_FILE_NAME=SLE_P_182_short10x SUBJECT_SAMPLE_FACTORS P_148 P_148 Group:Null RAW_FILE_NAME=SLE_P_148_short; RAW_FILE_NAME=SLE_P_148_short10x SUBJECT_SAMPLE_FACTORS P_184 P_184 Group:Null RAW_FILE_NAME=SLE_P_184_short; RAW_FILE_NAME=SLE_P_184_short10x SUBJECT_SAMPLE_FACTORS P_204 P_204 Group:Null RAW_FILE_NAME=SLE_P_204_short; RAW_FILE_NAME=SLE_P_204_short10x SUBJECT_SAMPLE_FACTORS P_171 P_171 Group:Null RAW_FILE_NAME=SLE_P_171_short; RAW_FILE_NAME=SLE_P_171_short10x SUBJECT_SAMPLE_FACTORS P_193 P_193 Group:Null RAW_FILE_NAME=SLE_P_193_short; RAW_FILE_NAME=SLE_P_193_short10x SUBJECT_SAMPLE_FACTORS P_183 P_183 Group:Null RAW_FILE_NAME=SLE_P_183_short; RAW_FILE_NAME=SLE_P_183_short10x SUBJECT_SAMPLE_FACTORS P_179 P_179 Group:Null RAW_FILE_NAME=SLE_P_179_short; RAW_FILE_NAME=SLE_P_179_short10x SUBJECT_SAMPLE_FACTORS P_181 P_181 Group:Null RAW_FILE_NAME=SLE_P_181_short; RAW_FILE_NAME=SLE_P_181_short10x SUBJECT_SAMPLE_FACTORS P_29 P_29 Group:Null RAW_FILE_NAME=SLE_P_29_short; RAW_FILE_NAME=SLE_P_29_short10x SUBJECT_SAMPLE_FACTORS P_198 P_198 Group:Null RAW_FILE_NAME=SLE_P_198_short; RAW_FILE_NAME=SLE_P_198_short10x SUBJECT_SAMPLE_FACTORS P_160 P_160 Group:Null RAW_FILE_NAME=SLE_P_160_short; RAW_FILE_NAME=SLE_P_160_short10x SUBJECT_SAMPLE_FACTORS P_197 P_197 Group:Null RAW_FILE_NAME=SLE_P_197_short; RAW_FILE_NAME=SLE_P_197_short10x SUBJECT_SAMPLE_FACTORS P_200 P_200 Group:Null RAW_FILE_NAME=SLE_P_200_short; RAW_FILE_NAME=SLE_P_200_short10x SUBJECT_SAMPLE_FACTORS P_175 P_175 Group:Null RAW_FILE_NAME=SLE_P_175_short; RAW_FILE_NAME=SLE_P_175_short10x SUBJECT_SAMPLE_FACTORS P_157 P_157 Group:Null RAW_FILE_NAME=SLE_P_157_short; RAW_FILE_NAME=SLE_P_157_short10x SUBJECT_SAMPLE_FACTORS P_151 P_151 Group:Null RAW_FILE_NAME=SLE_P_151_short; RAW_FILE_NAME=SLE_P_151_short10x SUBJECT_SAMPLE_FACTORS P_176 P_176 Group:Null RAW_FILE_NAME=SLE_P_176_short; RAW_FILE_NAME=SLE_P_176_short10x SUBJECT_SAMPLE_FACTORS P_195 P_195 Group:Null RAW_FILE_NAME=SLE_P_195_short; RAW_FILE_NAME=SLE_P_195_short10x SUBJECT_SAMPLE_FACTORS P_173 P_173 Group:Null RAW_FILE_NAME=SLE_P_173_short; RAW_FILE_NAME=SLE_P_173_short10x SUBJECT_SAMPLE_FACTORS P_164 P_164 Group:Null RAW_FILE_NAME=SLE_P_164_short; RAW_FILE_NAME=SLE_P_164_short10x SUBJECT_SAMPLE_FACTORS P_161 P_161 Group:Null RAW_FILE_NAME=SLE_P_161_short; RAW_FILE_NAME=SLE_P_161_short10x SUBJECT_SAMPLE_FACTORS P_191 P_191 Group:Null RAW_FILE_NAME=SLE_P_191_short; RAW_FILE_NAME=SLE_P_191_short10x SUBJECT_SAMPLE_FACTORS P_188 P_188 Group:Null RAW_FILE_NAME=SLE_P_188_short; RAW_FILE_NAME=SLE_P_188_short10x SUBJECT_SAMPLE_FACTORS P_201 P_201 Group:Null RAW_FILE_NAME=SLE_P_201_short; RAW_FILE_NAME=SLE_P_201_short10x SUBJECT_SAMPLE_FACTORS P_177 P_177 Group:Null RAW_FILE_NAME=SLE_P_177_short; RAW_FILE_NAME=SLE_P_177_short10x SUBJECT_SAMPLE_FACTORS P_162 P_162 Group:Null RAW_FILE_NAME=SLE_P_162_short; RAW_FILE_NAME=SLE_P_162_short10x SUBJECT_SAMPLE_FACTORS P_41 P_41 Group:Null RAW_FILE_NAME=SLE_P_41_short; RAW_FILE_NAME=SLE_P_41_short10x SUBJECT_SAMPLE_FACTORS P_152 P_152 Group:Null RAW_FILE_NAME=SLE_P_152_short; RAW_FILE_NAME=SLE_P_152_short10x SUBJECT_SAMPLE_FACTORS P_140 P_140 Group:Null RAW_FILE_NAME=SLE_P_140_short; RAW_FILE_NAME=SLE_P_140_short10x SUBJECT_SAMPLE_FACTORS P_37 P_37 Group:Null RAW_FILE_NAME=SLE_P_37_short; RAW_FILE_NAME=SLE_P_37_short10x SUBJECT_SAMPLE_FACTORS P_13 P_13 Group:Null RAW_FILE_NAME=SLE_P_13_short; RAW_FILE_NAME=SLE_P_13_short10x SUBJECT_SAMPLE_FACTORS P_48 P_48 Group:Null RAW_FILE_NAME=SLE_P_48_short; RAW_FILE_NAME=SLE_P_48_short10x SUBJECT_SAMPLE_FACTORS P_18 P_18 Group:Null RAW_FILE_NAME=SLE_P_18_short; RAW_FILE_NAME=SLE_P_18_short10x SUBJECT_SAMPLE_FACTORS P_28 P_28 Group:Null RAW_FILE_NAME=SLE_P_28_short; RAW_FILE_NAME=SLE_P_28_short10x SUBJECT_SAMPLE_FACTORS P_43 P_43 Group:Null RAW_FILE_NAME=SLE_P_43_short; RAW_FILE_NAME=SLE_P_43_short10x SUBJECT_SAMPLE_FACTORS P_39 P_39 Group:Null RAW_FILE_NAME=SLE_P_39_short; RAW_FILE_NAME=SLE_P_39_short10x SUBJECT_SAMPLE_FACTORS P_26 P_26 Group:Null RAW_FILE_NAME=SLE_P_26_short; RAW_FILE_NAME=SLE_P_26_short10x SUBJECT_SAMPLE_FACTORS P_8 P_8 Group:Null RAW_FILE_NAME=SLE_P_8_short; RAW_FILE_NAME=SLE_P_8_short10x SUBJECT_SAMPLE_FACTORS P_25 P_25 Group:Null RAW_FILE_NAME=SLE_P_25_short; RAW_FILE_NAME=SLE_P_25_short10x SUBJECT_SAMPLE_FACTORS P_11 P_11 Group:Null RAW_FILE_NAME=SLE_P_11_short; RAW_FILE_NAME=SLE_P_11_short10x SUBJECT_SAMPLE_FACTORS P_38 P_38 Group:Null RAW_FILE_NAME=SLE_P_38_short; RAW_FILE_NAME=SLE_P_38_short10x SUBJECT_SAMPLE_FACTORS P_22 P_22 Group:Null RAW_FILE_NAME=SLE_P_22_short; RAW_FILE_NAME=SLE_P_22_short10x SUBJECT_SAMPLE_FACTORS P_31 P_31 Group:Null RAW_FILE_NAME=SLE_P_31_short; RAW_FILE_NAME=SLE_P_31_short10x SUBJECT_SAMPLE_FACTORS P_33 P_33 Group:Null RAW_FILE_NAME=SLE_P_33_short; RAW_FILE_NAME=SLE_P_33_short10x SUBJECT_SAMPLE_FACTORS P_40 P_40 Group:Null RAW_FILE_NAME=SLE_P_40_short; RAW_FILE_NAME=SLE_P_40_short10x SUBJECT_SAMPLE_FACTORS P_51 P_51 Group:Null RAW_FILE_NAME=SLE_P_51_short; RAW_FILE_NAME=SLE_P_51_short10x SUBJECT_SAMPLE_FACTORS P_54 P_54 Group:Null RAW_FILE_NAME=SLE_P_54_short; RAW_FILE_NAME=SLE_P_54_short10x SUBJECT_SAMPLE_FACTORS P_63 P_63 Group:Null RAW_FILE_NAME=SLE_P_63_short; RAW_FILE_NAME=SLE_P_63_short10x SUBJECT_SAMPLE_FACTORS P_36 P_36 Group:Null RAW_FILE_NAME=SLE_P_36_short; RAW_FILE_NAME=SLE_P_36_short10x SUBJECT_SAMPLE_FACTORS P_23 P_23 Group:Null RAW_FILE_NAME=SLE_P_23_short; RAW_FILE_NAME=SLE_P_23_short10x SUBJECT_SAMPLE_FACTORS P_62 P_62 Group:Null RAW_FILE_NAME=SLE_P_62_short; RAW_FILE_NAME=SLE_P_62_short10x SUBJECT_SAMPLE_FACTORS P_59 P_59 Group:Null RAW_FILE_NAME=SLE_P_59_short; RAW_FILE_NAME=SLE_P_59_short10x SUBJECT_SAMPLE_FACTORS P_2 P_2 Group:Null RAW_FILE_NAME=SLE_P_2_short; RAW_FILE_NAME=SLE_P_2_short10x SUBJECT_SAMPLE_FACTORS P_52 P_52 Group:Null RAW_FILE_NAME=SLE_P_52_short; RAW_FILE_NAME=SLE_P_52_short10x SUBJECT_SAMPLE_FACTORS P_34 P_34 Group:Null RAW_FILE_NAME=SLE_P_34_short; RAW_FILE_NAME=SLE_P_34_short10x SUBJECT_SAMPLE_FACTORS P_35 P_35 Group:Null RAW_FILE_NAME=SLE_P_35_short; RAW_FILE_NAME=SLE_P_35_short10x SUBJECT_SAMPLE_FACTORS P_30 P_30 Group:Null RAW_FILE_NAME=SLE_P_30_short; RAW_FILE_NAME=SLE_P_30_short10x SUBJECT_SAMPLE_FACTORS P_1 P_1 Group:Null RAW_FILE_NAME=SLE_P_1_short; RAW_FILE_NAME=SLE_P_1_short10x SUBJECT_SAMPLE_FACTORS P_19 P_19 Group:Null RAW_FILE_NAME=SLE_P_19_short; RAW_FILE_NAME=SLE_P_19_short10x SUBJECT_SAMPLE_FACTORS P_6 P_6 Group:Null RAW_FILE_NAME=SLE_P_6_short; RAW_FILE_NAME=SLE_P_6_short10x SUBJECT_SAMPLE_FACTORS P_4 P_4 Group:Null RAW_FILE_NAME=SLE_P_4_short; RAW_FILE_NAME=SLE_P_4_short10x SUBJECT_SAMPLE_FACTORS P_5 P_5 Group:Null RAW_FILE_NAME=SLE_P_5_short; RAW_FILE_NAME=SLE_P_5_short10x #COLLECTION CO:COLLECTION_SUMMARY Patients included in this study (211 female subjects with median age of 43.5 CO:COLLECTION_SUMMARY years [range 19-78 years]) were followed at the French National Reference Center CO:COLLECTION_SUMMARY for SLE (Pitié-Salpêtrière Hospital, Paris, France) between January 2014 and CO:COLLECTION_SUMMARY December 2017. SLE was defined according to international guidelines (ACR) 19. CO:COLLECTION_SUMMARY Antiphospholipid syndrome (APS) was defined according to the revised Sapporo CO:COLLECTION_SUMMARY criteria 20. Each patient underwent a multi-detector CT scan (Siemens syngo.CT CO:COLLECTION_SUMMARY CaScoring) and CAC was quantified by means of the previously described Agatston CO:COLLECTION_SUMMARY scoring method 21. Duration of the disease, clinical involvements (skin, CO:COLLECTION_SUMMARY seritis, hematology, joints and nervous system), treatment regimens (steroids, CO:COLLECTION_SUMMARY methotrexate and hydroxychloroquine) and SLE variables (C3, anti-dsDNA, CO:COLLECTION_SUMMARY anti-nuclear and antiphospholipid (aPL) antibodies) are presented in Table 1. CO:COLLECTION_SUMMARY Disease activity was estimated by the Systemic Lupus Erythematosus Disease CO:COLLECTION_SUMMARY Activity Index (SLEDAI) score. The presence of cardiovascular risk factors, CO:COLLECTION_SUMMARY including hypertension, hypercholesterolemia, diabetes, obesity, smoking status, CO:COLLECTION_SUMMARY family or previous personal history of cardiovascular events and inflammation CO:COLLECTION_SUMMARY (US-CRP) was determined for all patients (Table 1). Patients were classified CO:COLLECTION_SUMMARY into 3 groups of coronary heart disease (CHD) risk according to the calcium CO:COLLECTION_SUMMARY score as defined by the Multi-Ethnic Study of Atherosclerosis (MESA) study 22 CO:COLLECTION_SUMMARY (low, CAC=0; moderate, 0 < CAC < 100, and high, CAC > 100). CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY A blood sample was collected at the day of the CT scan for each patient by TR:TREATMENT_SUMMARY venipuncture from the antecubital vein into sterile BD Vacutainer tubes TR:TREATMENT_SUMMARY containing clot activator. Serum was separated immediately by low-speed TR:TREATMENT_SUMMARY centrifugation at 2500 rpm for 20 min at 4°C and was stored at -80°C until TR:TREATMENT_SUMMARY use. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Serum lipids were extracted using a modified Folch method 26. Briefly, 10 µl SP:SAMPLEPREP_SUMMARY serum supplemented with a mixture of internal standards were extracted using SP:SAMPLEPREP_SUMMARY 1600 μl of acidified methanol:0.05N HCl (1:1 v/v) and 800 μl chloroform in the SP:SAMPLEPREP_SUMMARY presence of an antioxidant, butylated hydroxytoluene. The lower organic phase SP:SAMPLEPREP_SUMMARY was dried and lipids were reconstituted into 40µl of LC-MS compatible solvent SP:SAMPLEPREP_SUMMARY and were quantified by LC-MS/MS. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu 20AD CH:COLUMN_NAME Phenomenex Kinetex HILIC (150 x 3mm,2.6um) CH:SOLVENT_A 100% water; 0.2% acetic acid; 30mM ammonium acetate CH:SOLVENT_B 100% acetonitrile; 0.2% acetic acid CH:FLOW_GRADIENT - CH:FLOW_RATE 300ul/min CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 4000 QTrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS MRM acquisition of low abundant phospho- and sphingolipid classes: PS, PA, LPC, MS:MS_COMMENTS LPE, cer, PG, PI, PE, PE-P this acquisition is called "short" #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS relative difference MS_METABOLITE_DATA_START Samples P_1 P_2 P_4 P_5 P_6 P_8 P_10 P_11 P_12 P_13 P_18 P_19 P_21 P_22 P_23 P_25 P_26 P_27 P_28 P_29 P_30 P_31 P_33 P_34 P_35 P_36 P_37 P_38 P_39 P_40 P_41 P_42 P_43 P_44 P_45 P_46 P_48 P_50 P_51 P_52 P_53 P_54 P_58 P_59 P_61 P_62 P_63 P_65 P_66 P_68 P_69 P_70 P_71 P_72 P_73 P_74 P_75 P_76 P_78 P_79 P_81 P_82 P_84 P_87 P_89 P_90 P_91 P_92 P_94 P_96 P_98 P_99 P_103 P_104 P_105 P_108 P_109 P_110 P_112 P_114 P_116 P_117 P_118 P_120 P_121 P_122 P_123 P_124 P_126 P_128 P_135 P_136 P_137 P_139 P_140 P_142 P_144 P_148 P_150 P_151 P_152 P_154 P_156 P_157 P_160 P_161 P_162 P_163 P_164 P_168 P_171 P_173 P_174 P_175 P_176 P_177 P_179 P_180 P_181 P_182 P_183 P_184 P_185 P_187 P_188 P_189 P_191 P_193 P_194 P_195 P_196 P_197 P_198 P_199 P_200 P_201 P_202 P_204 P_206 P_209 P_7 P_14 P_16 P_17 P_24 P_47 P_55 P_56 P_64 P_77 P_80 P_83 P_85 P_86 P_88 P_100 P_101 P_111 P_113 P_115 P_125 P_127 P_129 P_130 P_132 P_133 P_138 P_141 P_143 P_145 P_146 P_147 P_149 P_155 P_159 P_165 P_166 P_167 P_169 P_170 P_172 P_178 P_186 P_190 P_208 P_210 P_211 P_3 P_15 P_20 P_32 P_49 P_57 P_60 P_67 P_93 P_95 P_97 P_107 P_119 P_131 P_134 P_153 P_158 P_192 P_205 P_207 Factors Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Null Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:Med Group:High Group:High Group:High Group:High Group:High Group:High Group:High Group:High Group:High Group:High Group:High Group:High Group:High Group:High Group:High Group:High Group:High Group:High Group:High Group:High Cer(18:0;O2/18:0) -0.34275666 -0.64975405 1.1022087 0.321074 -0.5160216 -0.3460253 1.080239 -0.48781785 -0.46707666 0.26518676 1.0757011 -0.5473969 0.4349126 1.1086277 2.7923882 -1.2271447 -0.054082647 1.1755087 -1.2340728 1.0102586 1.5782098 -0.9994229 1.1633472 1.5909696 -0.18238792 -1.1982201 0.26615825 -0.5239084 -0.037095223 -0.8377202 0.73426247 0.39866203 -0.4928119 0.53347665 2.2013264 1.1678283 0.6146085 -0.32790405 -0.41894162 -0.19718117 0.20124374 0.068298556 1.6426269 -0.66740775 -0.011413054 0.21491899 1.1816775 -1.0891169 -0.43475676 -0.7293796 -0.67183775 -0.5525973 -0.59269613 0.11161682 0.3224214 0.40616816 -1.1022077 -1.2143741 -0.4034031 -0.82993674 2.378521 0.26622728 -0.9634288 -0.62787837 -1.6217138 -0.9395321 -0.5405931 -0.5258877 0.28588632 1.0464829 -0.9114804 -0.71084523 -0.23598835 -0.64127976 -0.49288413 -0.93980116 0.9401517 -0.7213257 1.4096962 -0.9705236 0.024450144 -1.0317991 -0.000543 -0.34864604 1.8675319 0.92800623 -0.59408575 1.5169564 1.1360452 -0.79655445 1.3177736 -1.2407645 4.016579 -0.69977343 0.6450977 1.5380013 -0.4384464 -0.35451713 0.216865 -0.5962822 -0.593967 -0.13720725 -0.7862428 0.068139546 -0.59710926 0.042226844 0.79352677 -1.2167258 -0.53508526 -0.8615258 1.1276159 -1.2413517 0.24479271 -0.64224166 -1.5472474 -0.265425 0.6579186 1.8733324 -1.9756323 -0.537366 -0.44871432 -0.79600745 0.020005785 -0.06695262 -1.1207743 -0.36057737 -0.8500521 1.4672134 -0.42081568 -0.51778173 -0.101791665 0.22607191 -1.0198358 0.13948728 -1.2312167 -0.8320915 -1.0917162 0.6959935 1.6371053 -0.22208919 -0.9969828 -0.06389293 -0.8002934 -0.5565952 -1.1251293 0.8620726 0.2406909 0.3137822 0.14047891 -0.45644012 -0.98946404 -0.59586513 2.503957 -0.9830945 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-0.6555155 -1.2195069 0.2588559 0.26186347 0.22159575 -0.6772261 0.08502313 0.5058806 2.1686049 -0.054849483 -0.5528436 -0.1682384 -1.3869743 1.3828255 -1.5397944 -0.40986606 1.2618792 -1.3279954 -0.658905 0.370854 1.1770619 -0.6931606 -0.7244745 0.2924168 0.55104524 -0.6544734 -0.23058017 -1.1887273 0.334179 0.3332489 -0.71116436 -0.15127374 -0.3168312 -0.5090061 -0.76606524 -0.6614961 -0.39995724 -0.7323553 -0.15412265 2.1020107 -0.49269792 0.29536018 -0.47874334 -1.0409677 -0.54387903 1.463329 -0.5135852 0.13260983 -0.11316673 0.87195146 -0.80892485 2.1599214 1.4625455 2.5076275 -1.1237161 0.5095452 -1.2399869 0.011927267 -0.6164299 -0.59326 0.3476279 0.5845003 -0.4994579 -0.73124176 -0.40259275 4.848429 0.036974 0.7777596 0.31292745 -0.99772984 -1.5700725 0.11227747 -0.30443943 -0.35376254 0.25346696 1.5590279 -0.25634506 1.0889246 5.9668727 0.83233917 -0.8770177 0.041404504 0.08186433 -0.22405238 -0.8883165 -1.8227518 1.8731779 -0.29448724 0.36930168 0.8029526 -0.8494341 0.7227341 Cer(18:2;O2/24:1) -0.5230441 1.0052891 0.41181165 0.89588076 1.6951535 0.547353 -0.26266196 -0.7714397 0.08732266 0.57176495 -1.0125172 0.26752818 0.44861308 -0.20999087 -0.9701736 -1.045531 -0.22095537 2.8473194 -0.60166085 1.3690422 0.8307685 -0.43475854 0.3276536 -0.73818153 -0.5631778 0.14287539 -0.9630093 0.70390785 -1.2910788 0.6970056 -0.7262793 1.1659396 -0.9970879 -0.77960753 0.83940005 0.29978156 -0.88492876 -0.34225982 -0.49006227 -0.9677541 0.120582335 0.1676857 1.3469759 0.082763664 -0.66690487 -1.001421 -0.34858516 -0.23690791 0.3670643 -0.17553392 -1.715724 -0.343475 2.647595 0.28383812 0.40102145 0.000509 0.2457729 -0.5024879 -0.5794947 -0.42134026 -1.0369455 0.29210803 -0.82036585 0.88159496 -1.3199624 -0.42683312 -0.4235345 -0.48223677 1.0267788 -1.4710737 1.2659498 0.37983975 -1.0870901 1.702431 -0.10433526 -0.08588443 0.52324224 1.2898521 -0.352427 -0.46925175 0.4487993 -1.0725917 -0.6671804 -0.2566869 1.7357229 -0.4104449 -0.58395326 -0.12450709 -0.29339117 0.42789054 -0.7683662 -0.84442955 -0.47165194 0.4891697 0.42837983 -0.10400543 0.58618003 1.1962407 1.1332512 -0.85303867 -1.4702327 -0.26850516 0.03266331 0.24527845 -0.49452305 -1.2394327 0.90055734 1.3729876 -0.24283619 -0.7027943 -0.7337655 -1.5715891 -0.9222426 0.4550696 0.7781751 -0.06927354 -0.4821158 -0.4494149 1.1377143 0.14990552 -0.60803336 0.3345828 -0.40466937 1.8290191 -0.77053183 -1.426757 -0.31262752 -1.021745 1.0036161 -0.015792001 -0.2466149 0.3459178 -1.1517133 -0.86009604 0.33159304 -0.7466992 1.6053733 -0.68620473 -1.175767 0.55186445 0.13746284 0.42884216 -0.83531636 -0.276267 0.519061 -0.6015276 -0.97580785 -1.1188579 -1.4731983 -0.83959234 -0.95318013 -0.7322376 -0.10000254 -0.943685 1.7874733 1.0832855 0.12856662 -0.9147614 -1.1183925 -0.32405934 1.1418976 -0.5289306 0.61243105 0.36016154 0.9385594 -1.223839 3.3096523 1.87765 0.8280164 -0.41014034 0.49255824 -0.7156131 -0.31766266 -0.20538719 -0.867412 0.12871459 0.6090911 -0.51574385 -1.591967 0.035489015 4.103958 -0.69737077 0.048690964 -0.4483349 -0.5377467 -1.3882906 0.07999265 0.7462782 0.086344905 -0.021413725 -0.24845207 -0.5446336 2.818596 3.4738023 1.6396979 -0.1843813 -1.1494889 1.6508489 -0.19789268 -0.92094666 -1.6359355 0.44591588 0.41976738 0.31513384 2.2210863 -0.9012752 1.6829498 Cer(18:2;O2/24:2) -0.4218378 0.72261715 -0.47496453 1.0989282 1.6968434 2.074665 -0.5648998 0.5937993 0.06474321 0.6317308 -0.7113541 0.289858 0.930696 -0.16091019 -0.38858676 -1.2297858 -0.2838085 2.074607 -0.51397294 0.3102565 0.38171822 -0.85089844 -0.2662408 -0.4995994 -1.6468886 0.48185864 -0.9647148 0.37896225 -1.3883898 0.4006277 -0.2548135 0.3361559 -0.4849511 -0.7387173 0.91116595 -0.1089239 -0.8851445 0.54816556 0.036017485 -1.6089483 -0.9687956 0.13211526 2.4263637 -0.60088444 -0.7697692 0.44394904 -0.7594523 -0.6127622 0.31093246 -0.8850965 -1.2343941 -0.36316246 2.234979 -0.22516368 -0.8770526 0.45246187 0.6546408 0.06409828 -0.36262512 -0.56349474 -1.1814519 0.8019308 -0.916879 1.8106346 -0.76165074 -0.37642878 -0.58061737 0.39901015 1.2403702 -0.9998748 0.30626187 0.45903894 -0.8730711 2.161709 -0.2672949 -0.96259373 -0.327062 0.5634214 -0.45538962 -0.05713039 0.24547519 -1.79734 -0.6096567 0.3262944 1.4477067 0.30540797 0.24987029 -0.2550955 -0.5049086 -0.22266442 0.059507266 -0.04497747 0.14373568 0.012592185 0.0895155 -0.4763741 0.89445853 -0.123081885 0.57719004 -0.4516641 -0.8814971 0.67045426 0.21910834 0.31139252 -1.2933495 -1.2790647 1.1681126 1.0024452 -0.859688 -0.9470754 -0.94457084 -1.4584988 -0.90869665 1.2666227 -0.09188442 -0.17069188 -0.4804566 -0.98420095 1.2335805 -0.2998636 0.07288335 0.029796287 -0.21197847 2.1591852 -0.7974441 -1.2810956 -0.07875794 -0.7723388 1.7049648 -0.7996513 -0.27731478 0.4123521 -1.0721762 -0.41944984 0.30114073 -0.31265658 1.4278663 -1.0532721 -0.53198916 0.7927744 -0.38173276 -0.6719262 -1.008261 0.1350401 -0.21422695 -1.0649941 0.6400627 -0.9947282 -0.89068353 -0.27112332 0.36826873 -0.79962355 0.069295876 -0.934509 1.9768558 0.9592129 0.31407756 -0.8650494 -0.90030825 0.5955195 1.630763 -0.5216028 0.47428846 0.22057067 0.6139149 -1.3913327 3.174651 2.4251564 1.1899146 -0.3164904 0.22822136 -0.7686486 -0.46621084 -0.6587522 -0.29009938 -0.01480911 0.43508032 0.24214569 -1.8922962 0.67164284 4.085596 -0.7214465 0.4152572 -0.13612981 -0.5830116 -2.4414604 1.1831946 0.23062956 1.0536162 1.2707287 -0.59050256 -1.5085496 1.5480294 3.412347 0.8614502 -0.15046017 -1.2669163 -0.049981244 -0.43913537 -0.029491106 -1.4822441 1.2039771 -0.26640943 -0.48508713 -0.11259395 -0.20217057 1.7275977 Cer(18:2;O2/26:0) -0.37212175 0.543261 -0.8553316 1.8741106 1.3521484 1.1230236 -0.2935321 1.1825556 -0.89961517 0.79829365 0.86392653 0.089382656 -0.40419164 0.038867064 -0.5702088 -0.8642015 0.12761699 1.5526658 -1.4584973 -0.5420251 0.9687673 -0.4083634 -1.283153 -0.9737429 -0.38920334 -0.764952 -0.61672837 -0.63267225 -0.44266215 -0.4827587 0.38950917 2.5410075 -1.449031 -0.5831949 1.6395973 -0.08856487 0.192788 0.2679078 -0.8669864 0.8200653 -1.1181085 -0.2877735 1.3665717 -0.7142422 -0.17158614 -0.3082742 -0.3197954 -1.0852208 0.00792754 -0.39821732 1.0832367 -0.1502023 -0.06874491 -0.5569311 1.1337873 0.3899364 -0.45467904 -0.010654734 -0.5752444 -1.321395 -1.3143934 0.37558946 -0.32323325 0.91565377 0.46255454 0.08551054 -0.0843085 -1.2398653 -0.2717767 -0.77752995 2.6875675 -0.30759916 1.1775497 0.07766379 -0.5429376 -0.760387 -0.22434554 1.8818997 0.12724759 -0.7109311 -0.67571366 -1.2485065 -0.6472545 -0.5229174 -0.35315648 -1.8213423 -0.28599763 0.1950703 -0.038086735 -0.8767021 -0.12375559 1.9848747 -0.7502198 0.05662511 0.70838004 0.26651973 -0.43293613 -0.66979176 -0.64978564 -0.1970766 -1.0476112 0.9313932 0.97158074 0.58932656 -0.25250426 -0.35440803 -0.10949441 -0.067399755 -0.7691053 -0.01224486 -0.5490478 -1.3214473 -0.4385934 -0.038820207 0.5218466 -0.17970979 -1.6293278 -0.57837945 1.7337674 -1.0375291 -0.6120328 0.021001881 -0.47608763 0.74318516 -0.044007543 -0.3800362 -0.8361688 -0.85399574 0.90905464 -1.9265362 0.2911253 -0.1401393 -1.0267953 -0.36255935 -0.43996024 -0.1256362 1.0763152 -1.9418346 -0.45913824 0.71033573 -0.64944154 -0.6311138 -0.45016968 -0.8194291 -1.2034159 -1.1433073 -0.4355221 0.52342474 -0.8889995 -1.5349988 0.303582 -0.4793634 -0.26537153 0.52951914 2.0229986 -0.37336895 0.7573252 0.545078 -1.5205567 0.5267877 0.87199444 0.029962854 1.9668907 0.38107175 0.93317056 -1.3445072 1.6900744 1.1984282 3.6378984 -0.97045624 1.087647 -0.9650016 -0.76285267 -0.56017745 -0.5274727 1.5393122 0.14680351 0.031458013 -1.0193816 1.7438599 2.4186838 -0.40251172 1.3284782 0.97846884 -0.4831394 -1.5459644 0.6205104 0.4001961 -1.0769026 0.3627409 2.2500825 -1.2353405 2.2766213 2.9375563 1.5263374 -0.75787586 -0.35693952 1.0680631 0.10452883 -0.3693946 -0.8029514 1.313498 0.046820432 -0.078183204 -0.23957364 0.3052629 2.2838652 Cer(18:2;O2/26:1) -0.40504584 0.07581934 -0.45219043 1.4723859 2.1069958 1.0733609 0.49560368 0.14335802 1.2571286 0.5591322 -1.0008254 -0.6423108 0.34477723 -0.5973083 -0.6794955 -1.0933179 -0.029351022 1.3926048 -0.46213338 0.6093869 0.8854756 0.011337029 0.91516507 -1.0193342 -0.3454975 -0.055480417 -0.5410901 -0.05865736 -0.70049405 -0.5825074 -0.47912887 1.3975607 -1.4518725 -0.3904293 0.6199809 1.811894 -1.0187364 -0.6721669 -0.7970427 -0.5954318 -0.731169 -0.6151451 1.3150265 -0.73990405 1.2973417 -0.7317338 -0.060229998 -0.90849423 0.8946159 0.46147677 -1.1126274 -0.111694954 0.055746704 -0.4277151 1.0007937 -0.62539077 -0.88424116 -0.47307852 -0.4131513 -1.1172391 -1.200314 0.32904157 -0.7311786 0.8171639 -1.0785923 -0.32394543 -0.42964286 -0.80514306 -0.02918596 -1.0164971 0.6166217 -0.42930108 -0.4176469 0.13248107 -0.67261696 0.89735186 -0.10762238 0.54401535 -0.13943547 -0.5033332 -2.429649 -1.3100756 -0.32254514 -0.12701234 0.53658146 0.21267638 -0.64447737 -0.3095516 -0.562737 -0.0348086 -0.67571086 0.44770136 -0.3375097 0.21464378 0.67420286 -0.6519092 -0.37940755 0.8394421 0.079435706 -0.8936319 -1.3673711 -0.15187 0.9141064 0.099768765 -1.023473 -0.9774137 -0.37152964 0.8038603 -0.5961844 -0.21468072 -0.44746527 -1.1796758 -0.6394689 -0.4122559 1.1469034 0.49266905 -0.7072503 -0.83058864 1.6780736 -0.07773405 -0.49580625 0.67845225 -0.7074185 3.6626215 -1.0096743 -1.3197649 -0.4945075 -0.6718613 0.6242711 0.3481523 -0.24433084 -0.73588437 -0.7063169 -0.9334939 0.2684651 -0.79831177 1.9169775 -0.9117511 -0.47058216 -0.12854022 -1.0907117 0.93948996 -0.21723682 -0.35830328 -0.62569046 1.1369624 -0.86584395 0.49973404 -1.3500575 -1.1064824 -0.77070016 -0.62208587 0.098096944 -0.8219678 1.1413515 0.04355316 0.6328998 -0.48355243 -0.5878419 -0.58722746 0.61592317 -0.387094 0.35951662 2.2049806 0.9530478 -1.1766249 1.2373701 1.641627 0.7915017 -0.9280497 0.24670273 -1.1177655 -0.5487585 -0.029207515 -0.47607937 0.2532991 0.4450798 0.7746457 -0.55326295 1.1389332 2.6086955 -0.103493415 0.47237456 0.6473711 -0.5767428 -1.3322618 0.18350685 1.116914 -0.85884434 0.056277953 0.16993232 -0.31603187 4.09157 2.3706238 2.071577 -0.20725092 -0.32981 1.6838931 0.9470216 -0.820152 -0.70685244 0.43387172 1.1724641 -0.6815576 0.9500527 0.60591686 4.938463 LPC(16:0) -1.9723091 -1.0006596 -0.000674 0.18758003 -0.05371764 -1.2611083 1.7427756 0.6567363 -0.32075846 -0.33301115 -0.53870887 -0.5484041 -0.19226834 0.28097886 -1.2310463 0.28907022 0.3733859 0.2365316 -1.5964596 0.63447136 0.6004623 -0.55481297 -0.068894945 -0.51357615 0.14410992 -0.13978316 0.9945956 0.26713017 -0.78455836 0.26189163 -0.4850761 0.5536753 -0.7086776 -0.072614335 0.94624525 0.82979757 -0.7106916 0.5631228 -0.35858926 -0.18356867 1.4919709 0.25464985 0.5834638 -0.38678443 -0.62557906 -0.7915863 -0.3678966 1.2718815 1.9729209 1.1731223 1.0186179 0.20138451 1.334353 1.545279 1.4139767 2.4855776 1.6858726 0.8211942 0.6127021 1.7244151 -0.525639 -0.03616723 0.9031946 0.8204997 0.4544749 1.6217207 0.28280875 -0.18016402 -0.30892387 -0.8554551 0.8341438 -0.32194322 0.15128887 -0.09148018 -0.59843475 -0.57585835 -0.6563359 -0.23736162 -0.89741886 -0.3318317 -0.24738412 0.13880463 -0.63830775 -0.11201774 0.19760196 -0.2380199 -1.0079726 -0.2297734 -0.67552674 -0.49253196 -0.6001429 -0.62367785 0.71422017 0.22099198 0.16669086 0.49114832 0.40973166 0.14582534 0.008115446 -0.5757956 -0.5170961 0.69079083 -0.2612471 0.27800077 -0.6184586 0.030360257 -0.1064529 0.62252176 -0.9511773 -0.39642632 0.75492203 -0.7117629 0.058669206 -0.33654326 -0.19554128 -0.50858784 2.6968668 0.91408986 -2.382389 0.905526 1.2319825 -0.11178419 -0.1975945 0.1489468 -0.5567879 2.0239942 -0.570624 0.27165088 -0.3963343 1.2544466 -0.034649104 -0.17453335 0.54075116 0.22722709 0.6394826 -0.78456604 0.2805711 0.93274516 0.9387742 0.66006035 -0.9963183 0.2486448 -0.61257106 -0.31592107 -0.73107696 -1.4274757 -2.3147233 -0.030635098 0.19735415 -1.5397098 0.6059206 -1.7196324 -0.386138 0.40902022 1.276353 0.6989819 -0.030464103 -1.5454115 -0.9456891 -0.10158635 -0.48544195 -0.50462204 -1.440364 3.3990774 3.1624212 0.7804704 2.0971062 -0.5529138 -0.9801935 -0.2515231 4.473562 0.078746945 0.019147087 -0.76428986 -0.49821284 -1.0902545 -1.5766491 -1.3166654 -0.100273445 0.22066256 0.26931465 -1.2514619 -1.0432987 -0.12691788 -0.52043 -0.55542135 -0.438237 -0.8441518 -0.8975721 -2.0997024 1.2610754 -1.1113579 -0.9906861 -0.8830215 -2.0661643 0.45683017 -0.30746707 -0.7927931 -1.3256409 -0.6762512 -0.6382075 2.440696 -0.21172614 1.5536176 0.10572261 -0.4240497 -0.4364572 LPC(18:0) -2.0540318 -1.0401078 0.35107675 0.48624718 -0.23627174 -1.3522809 1.4188428 0.6403255 -0.07986502 -0.28152063 0.244164 -0.5281235 -0.44171947 0.67445564 -1.4081172 0.18880515 0.71712035 0.10594541 -1.2132384 0.016365744 -0.13213158 -0.45245624 -0.2856986 -0.034021653 -0.13389204 0.09644615 0.31216702 0.026331326 -0.72435635 0.3331086 -0.62534016 0.4317175 -0.86963403 -0.971484 0.72400326 1.2092588 -0.60431266 0.53665334 -0.59761256 -0.26521757 0.917601 -0.11369085 0.51097816 -0.342239 -0.84029037 -0.8747866 -0.7495836 1.2777596 0.81120193 1.5485258 1.00592 0.27554494 1.0170854 1.7927827 1.1680965 2.3774421 2.2942443 0.089459084 0.47338864 1.7347916 0.3155645 0.28358132 1.2194854 1.8776623 0.5514729 1.8789598 0.36047307 -0.39264262 -0.5125524 -0.914974 0.95320404 -0.09842418 0.19077101 -0.39647865 -0.50189924 -0.8566579 -0.55160767 -0.27837393 -0.8060402 -0.22456484 -0.56089985 0.17492159 -0.8035504 -0.16546935 0.12975083 -0.3712869 -0.8187716 -0.1292194 -0.47100678 -0.6283398 -0.61386764 -0.6607702 0.14972675 0.29353902 0.21503201 0.17470568 0.5566924 0.27471983 0.11401253 -0.5080886 -0.2822266 0.5475691 0.033562236 0.18241347 -0.22981806 -0.053930085 -0.2640064 0.54567903 -0.77279747 -0.5112306 0.4356991 -0.3408833 -0.34561786 -0.19891387 -0.65103316 -0.4663196 1.6903069 0.9846907 -1.9225152 1.0850006 1.2666087 -0.23180613 -0.06964948 -0.06913347 -0.25429198 2.0006075 -0.40114972 -0.15085039 -0.1547579 1.0821303 0.033369347 -0.19350228 -0.45755666 0.21135148 0.9469932 -0.65256333 -0.09565183 0.6581051 0.8775756 0.6347894 -0.69041973 -0.5505895 0.08901846 -0.7102248 -0.23578377 -1.529907 -2.1719368 0.05964011 -0.4369629 -1.5658969 0.79970413 -1.4235481 -0.5234293 0.13262388 0.6250826 0.88843864 0.5487125 -1.3032962 -1.0082743 -0.06491639 -0.11884093 -0.71460056 -1.299097 2.9246697 2.7553365 0.2379138 2.4796672 -0.5233605 -0.54471314 -0.24735369 5.543516 -0.016361948 -0.06432868 -0.6677438 -0.39525414 -1.0943048 -1.3891568 -1.1663809 -0.3005189 0.30466953 0.40451008 -1.1647303 -0.91681594 0.044577092 -0.48935926 -0.45351243 -0.45948124 0.80354464 -1.3315173 -1.5635595 2.3039393 -1.1680299 -1.179195 -0.68583906 -1.850312 1.022061 -0.20893839 -0.85911375 -1.1342511 -0.8709063 -0.80748117 2.7484748 -0.6774785 1.6296043 -0.03492745 -0.5612803 -0.62264156 LPC(18:1) 0.25447237 0.65808535 -1.5447314 -1.5447314 -1.5447314 -1.5447314 0.9937646 0.41676044 0.77236694 0.63687825 -0.6130854 -1.5447314 -0.69657105 0.47460493 -1.5447314 0.511814 -0.32262436 -0.5038784 -1.5447314 0.45977178 -0.6350642 0.17668085 -1.5447314 -0.42183158 1.3439238 0.1154531 -0.5358549 -0.69186664 -0.002573794 1.3188529 -0.16003731 1.6482874 0.7210756 1.8549682 -0.74359757 -0.5837782 -0.012719358 1.6090302 0.08790347 1.2594839 1.0991814 -0.46399283 0.8587966 0.9330457 0.91209245 -1.0137984 1.2705045 0.3077894 -0.21647269 0.30922678 -0.6142464 0.27970082 1.2547671 -0.6276228 -1.5228714 1.2020025 0.31447113 0.44010204 0.23836309 1.6216779 -1.0795163 0.04717848 -0.074881606 -1.5447314 -1.1969316 1.2509389 -0.2861203 0.9946902 0.039369848 0.006597353 1.4293364 2.068181 -0.5162839 0.5894973 1.614006 1.833666 0.17524162 0.37876064 -2.3184485 1.2639871 0.27124572 1.3310453 1.3567661 0.9767802 2.8005702 0.767072 -0.2797133 -0.97076124 -0.041032244 0.9045725 -2.338697 -1.2672955 0.5250032 -0.5315174 -1.3754224 0.74454546 -0.082113035 0.21068156 0.44960076 -0.5932048 -0.22460453 -0.74776787 -0.7555068 -0.9081247 0.21808057 -0.34186167 -0.2931788 0.639068 -0.1435556 0.3885625 -0.7190191 -0.3557574 -1.1237049 -1.3357942 0.724578 -0.08844076 1.310896 0.7723156 -2.338697 0.11738467 0.70150316 -0.57825166 0.6039991 -0.9128891 -0.65297365 -0.3490086 0.25051594 -0.8997441 -0.50342554 0.36352155 0.04002717 0.25908023 0.16949977 -1.2039005 -0.5872702 -0.43095514 1.0618423 0.91498893 1.6292878 -0.75632167 -1.1552876 2.6322355 1.0655916 -0.565448 -0.30385748 -0.29966128 -0.044982467 -1.410482 -0.8332791 -0.052937556 -0.033655938 1.1881844 0.22532018 1.0916277 1.1777176 -0.81923217 -0.8782017 -0.5423197 0.46614134 0.15395848 1.7551764 -0.807971 1.8650588 0.031559583 -0.5728629 0.54665655 0.776688 -1.952158 -1.030936 -0.87540305 -1.3881948 -0.56716347 -0.010779718 -0.4275033 -1.0722427 0.75525093 -0.19629726 1.4308577 -0.089324005 -0.01408434 0.80242467 -0.5291646 -0.63901603 -0.033699594 -1.4922007 0.91568387 0.085516095 -1.5447314 -1.2206254 -0.41692415 0.09906825 0.347628 -0.5632384 -1.0271769 1.8782351 -0.86744076 -0.07887208 1.013895 1.2600802 0.3126365 -1.6221339 -2.1416383 1.5328338 0.25332224 0.9638776 0.16005573 -1.7287776 LPC(18:2) 1.6056685 1.9062241 -0.69827914 -1.0437915 0.5909415 0.77979493 1.8226676 1.873563 -0.30802217 -0.04253894 -0.17798996 -0.37965554 -0.88629985 -0.16981493 -0.6109798 -0.056925606 -0.6093059 0.73601305 -1.0326227 -0.29130125 -0.067568325 -0.041827243 -1.2458936 -0.9822401 -0.88862187 -0.96962696 -0.8853872 -0.18502337 -0.43489248 1.4775445 0.03993329 0.20030892 0.6544122 2.461859 -0.7003459 -0.40970436 -0.20196131 1.3871164 0.25846443 0.5323057 2.0945017 -0.97835654 2.620158 0.22931755 0.8995741 -0.26747417 0.7019067 -0.030518584 1.1548901 0.053707484 -0.9576231 -0.6656748 0.033186007 -0.47276866 -0.7219121 0.97772413 -0.9852098 -0.29191276 -0.6087279 2.3326497 -0.43505505 -0.8106248 -0.47532922 -1.3024553 -1.0270634 0.24345274 -0.073504865 1.7931648 0.20692846 0.36961722 0.5741745 2.3833952 0.92708474 0.5292239 0.48936868 -0.20676285 0.84715974 -0.26184767 0.85861284 1.3717283 -0.071902364 1.5485415 1.5046419 -0.4988681 0.9684637 0.65560377 0.14699878 -0.94847596 0.61423314 0.61633676 0.15151626 0.5292647 1.4372616 -0.17657824 -1.3028085 1.8637309 0.170106 -0.2252421 0.8445477 -0.5547302 -0.34817195 -1.1529518 -0.73879725 -0.97402126 -0.6022645 -0.38250637 -0.8774497 0.40814045 -0.502143 0.97144264 -0.6946981 -0.34053805 -0.35013336 -0.53815013 0.5358019 -0.005208044 0.6174459 0.31977582 -2.8146572 -0.967061 0.59902453 -0.2907576 1.5835483 -0.3953453 -0.7790391 -0.2157901 0.42485267 -1.5623462 -0.10303476 0.1528223 0.3632441 -0.2188443 -0.062355112 -0.88887817 -0.8584172 -0.83913755 -0.89869225 1.1214566 2.4186718 -0.31098738 -1.0181549 0.23265061 -0.46902016 -1.0406278 -1.4582309 -0.13837305 2.682867 -0.58054364 -0.7946695 -0.41778475 0.025608044 1.142874 0.61810017 -0.6436094 -0.22538762 -0.6068091 -1.6372755 -0.88701904 0.9822105 -0.04900303 0.74344367 0.84085697 0.105775096 -1.8724585 -1.7764567 0.1677578 -0.67134225 -1.2556396 -1.5300213 -0.9886268 -0.6261865 -1.0681365 1.1921424 -0.37701538 -0.57130486 1.3142452 -0.43162352 0.8889412 -0.79411185 0.0886877 1.2605588 0.19540715 0.13460928 0.59178966 -1.0170496 0.9197325 2.214776 -1.580371 -1.2889464 -0.4219186 -0.01612855 1.2505411 0.22494717 -0.8601604 0.7032316 -1.4681339 0.097927965 -0.25061747 0.3471461 2.6540983 -1.1547654 -1.5981904 1.6829119 -0.9826306 -0.65122724 -0.8024773 -1.4831839 LPC(20:4) 1.7661264 -0.18326169 1.1705003 -1.3527502 1.0901604 -0.1986543 0.111942194 1.3874899 0.09619956 0.38074294 -0.09372386 0.29323986 -1.1741598 -0.500022 -0.39483333 0.10100201 -0.26238784 -0.067837395 -0.45001256 -0.62784934 1.5076057 0.10865987 -0.042035166 -0.5183813 -1.163688 -0.4091692 -1.0235523 -0.33454636 -0.7175874 0.34269652 0.46378767 0.7629431 -0.87111765 1.6795437 -0.99674994 -0.47048998 -1.0185905 -0.15670584 0.9081902 -1.1946212 1.8329594 -1.0917484 4.675706 -0.6109646 1.3432101 0.031256657 0.5936048 -0.0698979 2.0035098 0.31635022 -1.109569 -0.9886091 0.73954177 -0.17075211 -0.8559821 0.6393749 -1.1264466 0.3475599 -0.5743676 2.2645707 1.3665161 -0.17558889 -0.7564248 -0.8874741 -0.7835011 0.60242057 -0.7889052 1.7702718 0.15698293 2.254667 0.034812752 1.92851 0.046978474 0.26918885 -0.4633006 -0.10664297 0.8785822 1.1079361 -0.23816891 1.2199231 0.8116149 0.7272231 2.125484 -0.7667805 2.559797 1.4488465 0.37033018 -0.44379857 -0.4787491 -0.8706656 -0.9921437 0.3246074 0.17130132 -0.090594634 -1.4715288 -0.11714695 -0.20035984 -0.07765352 0.28806767 0.16727121 -1.0808209 -1.6308817 -0.11643485 -1.2509441 -1.5121162 -0.7676742 -0.7709395 -0.4850843 0.34375712 1.3195581 -0.363257 -1.1957332 -0.26936793 -0.28970787 -0.8477005 0.17648757 1.3432227 -1.5877175 -2.3109102 -1.1411325 0.97042596 -1.2909145 0.907517 0.5376178 -0.27843472 -0.98937017 1.5190716 -1.3254774 -0.53880215 1.2317662 0.50037956 -0.10009169 0.08088854 0.12445975 -0.65513384 -0.6908532 1.1229323 0.44191915 0.39354768 -0.53710777 -1.0466021 -0.5757371 -0.15749012 -0.91862696 -0.24956954 1.0784998 1.7275412 -0.16641356 -0.5156548 0.24570876 -0.9975641 -0.26124126 -0.6828905 -0.5542136 -0.5527497 0.24597247 -0.8542437 -1.1332544 -0.100622185 0.40681866 0.7548522 0.44069445 0.57429415 -1.3320304 -1.5276896 -0.6898598 -0.10800217 -0.5939236 -1.3629533 -0.021409458 0.39798135 -1.3083421 0.7096332 0.21343723 -0.6675143 1.1654584 -0.19099183 1.5007817 -0.4520687 -0.1256904 -0.04748723 -0.7322844 0.7130367 -1.5348616 -0.77421594 1.4410594 2.0389493 -1.1129557 -0.68414104 0.20438491 -0.09916666 1.1212653 -0.2847683 0.011760232 -0.4303124 -0.7685605 0.44539693 0.023275862 0.27078128 3.4109337 -0.7922555 -0.63559985 0.36780223 -0.12769519 0.075604156 0.8701384 -1.3306665 LPC(22:6) 0.9371366 -0.4788947 0.08818936 -0.989147 1.4442208 0.38285166 0.99827766 2.461416 -0.021848897 0.36308745 -0.75917774 -0.53313154 -1.057854 -0.37026474 -0.07170476 -0.26126236 -0.38355628 -0.37738913 -0.7151213 -0.28498557 1.0298556 -0.32537228 1.1961609 -0.65818673 -0.16888353 -0.43839216 -0.8013111 -0.80435497 -1.5060799 -0.45119837 0.027045667 1.4808731 -0.13681681 0.62810624 -0.97530067 0.078900464 -0.8473003 -0.08019034 0.50653243 -1.4001617 1.0301905 -0.91799194 3.2349293 -0.9280791 2.1763935 -0.49794608 0.6506978 -0.19980465 2.121108 1.2964516 -0.83370346 -0.92822295 0.4946109 -0.35920045 -0.14063355 0.16885024 -0.001287892 -0.31366476 -0.5694389 0.017664881 1.7812884 -0.79777336 -0.60770065 -1.257081 -1.0827804 0.46143422 -1.1581538 1.4147807 -0.9668656 1.5037062 -0.4619487 1.5780385 -0.8760164 0.540383 1.1197865 -0.65939754 1.2712632 0.7287025 0.28301796 0.33951065 1.0749488 1.8201213 1.4790347 -0.8220065 3.290934 -0.596432 0.28291473 -0.8553486 0.48030248 -0.38412082 -0.7641437 -0.4277492 -0.19101524 -0.53170145 -1.2388313 0.47726882 0.057438597 1.0180558 0.41668725 -0.08556406 -1.3744977 -1.2276984 0.3445019 -1.2753185 -1.5504975 -0.81846726 -0.7450772 -0.04910483 0.6568898 1.3684014 -0.7517234 -0.007780988 0.015723178 -0.6813295 -0.7721634 0.31870094 0.7082201 -1.15235 -2.0957186 -1.4528508 0.6777747 -1.0133072 -0.35840058 1.4162742 -0.8656489 -0.6031033 0.73987126 -1.5439656 0.4115997 2.097375 0.7657593 -0.58452004 -0.11036663 -0.61853004 -1.1648681 -0.6219767 0.35344946 0.24171323 0.67279947 0.13707583 -1.1187682 -0.08827019 0.673144 -0.91882926 0.12431951 3.1132011 2.357747 -0.15177278 -0.45863226 -0.045113906 -1.1276826 0.7771637 0.209871 -0.32501906 -0.28532484 0.16204438 -0.77021986 -0.82264364 0.62003565 0.33740687 0.67168695 -0.10954 0.62531143 -0.85999364 -0.9044026 -0.6556644 -0.47652853 -0.2342866 -1.1192298 -0.42003584 0.5285228 -1.4017111 -0.050801728 1.8846726 -0.43248206 0.29157954 -0.42401305 3.342619 -0.7024787 -0.052672684 -0.41607013 -0.116981655 1.0998666 -0.27262866 -1.2141773 1.0181596 1.940609 -1.1505638 -0.9530778 -0.56086075 -0.17152321 1.1205912 -0.41176102 -0.15269502 -0.71778566 -0.49085313 -0.14824332 -0.16658482 0.9963428 1.9049574 -1.2537318 -1.0664928 1.2705404 0.46736538 -0.42995295 -0.35901874 -0.8961807 LPE(16:0) 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-0.1379621 -0.109752774 2.1531348 0.5185103 0.4829426 0.20822324 -0.12543193 -0.6295014 -0.4325978 -0.38463113 -0.2990027 0.26477683 -0.0535107 -0.039093364 -0.8735102 0.07120066 0.052741457 0.9891846 -0.40485197 -0.005512636 -0.02629769 -0.8762387 0.28770265 -0.859222 0.5081769 -0.4265403 3.0468369 0.13670272 -2.5672219 1.063678 1.0574505 -0.25108477 -0.5782661 1.493112 -0.73098516 0.56178296 -0.26573503 -0.35194486 -0.24624462 0.4270927 0.5781779 0.092245005 -0.7495456 -0.31857067 0.7057386 -0.91770786 -0.5568544 0.57469416 0.5296078 -0.64480364 -0.78857654 1.2317061 -0.643781 0.0840614 -0.8058143 -0.05120156 -1.066689 -0.80057204 0.7166017 -0.56684566 0.4389135 -0.052196227 -1.2824033 0.13019408 -0.09557653 3.828672 -1.0174683 -1.4878124 -0.81731904 -0.12042709 -0.46978116 -1.3792727 -1.523798 2.3088999 2.6101174 0.63608974 3.163131 0.3099594 -1.5100027 0.24224938 1.2046446 -0.08972724 -0.3373799 0.18825586 -0.050639383 -1.1921623 -0.72172827 -0.004829383 -0.41750842 0.16218989 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-1.2258989 -0.35378218 -0.6423059 -0.9783229 0.5205005 1.2290033 -0.44326493 1.4051017 2.8338048 -1.2258989 -1.0458605 1.0002254 -0.9458924 0.28183937 -0.38572502 1.0225083 -0.38431284 -0.36688548 -1.1567466 1.413377 -0.67058915 0.16027352 1.2434785 -1.2258989 0.33509037 -1.1013504 -1.2258989 -0.46158218 -0.003594714 -0.8652413 -0.7820383 -0.3670144 0.95956784 0.47083083 -0.20165277 -1.2291483 -1.2291483 -1.0785242 0.57677686 -0.06270573 -0.4621907 2.5002277 0.44534034 -1.1167878 0.12928595 0.8804352 1.320076 0.39289728 1.0857168 -1.2258989 -0.14975081 0.75419813 -1.1443077 0.10738669 -1.0310628 -0.36722603 0.92609864 0.47850925 -0.86720705 -1.0431173 0.30239466 -0.7188022 2.484674 -0.8724843 -1.2258989 0.5923538 -0.39890343 -0.38877356 0.04044316 0.19912004 -0.9233581 0.026503952 -0.2796183 2.3616245 0.92696667 2.070566 -0.67769945 1.9221402 -1.0173867 -1.0437533 -0.5347612 -1.1690798 -1.1370229 -1.0970961 0.13808265 -1.1854731 0.8554781 0.052354347 0.049723595 -0.006720704 1.2491355 0.1228904 -0.02920886 -1.1320647 -1.2258989 0.40645522 0.73925453 0.32359898 -0.64837337 -0.9925766 0.2621882 PE(18:0p/18:2) 0.021526987 -0.29474398 -0.2950052 1.260073 -0.8842711 -1.1831441 -0.3175068 -1.1831441 0.08426025 -1.083626 -0.950654 3.0622706 0.66578937 -0.54104626 -0.49653968 -0.87304294 -0.50973874 0.25904787 1.2984105 1.0141487 -0.40081277 -0.4790927 -0.5695742 0.25819498 0.8935005 -0.6338674 1.2124658 -0.88997734 1.3306756 -0.7416952 -0.94975245 -0.7539764 0.14331193 -0.34010676 1.0366491 0.24973594 0.484513 1.4531102 -1.1358349 0.58719486 0.025541266 1.563224 -1.1831441 2.5940764 -0.43765673 -0.8010874 -0.30282086 -0.51649827 -0.7012738 0.6152551 0.99125373 2.1105223 -1.1831441 -0.095608346 1.025364 -0.6113703 2.2503464 -0.99267346 0.80330676 -1.1831441 -0.5031494 -0.93021107 1.2458737 -1.0047661 -1.1831441 -1.1429358 0.85755515 -1.1429358 1.1437854 -0.9082871 -1.1136652 -1.1429358 1.2651484 -0.80251646 1.6369919 -0.5523729 -0.35776576 0.516622 2.4105058 -0.09348652 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-1.1144212 0.75122577 0.025285702 0.10412434 2.3655949 0.5806335 -1.1860796 0.49076828 0.6606851 1.2024591 0.06946096 0.8481613 -1.2848353 0.12114775 0.33856368 -1.2251691 0.38639092 -1.0411004 -0.09696655 0.5014381 0.9754673 -0.967351 -1.0778714 0.8096107 -0.63082296 2.2541952 -0.6578483 -1.2869214 0.15987068 -0.079122804 -0.4773392 0.7433554 0.44141296 -0.98001444 1.42407 -0.03545197 2.1307948 0.6322505 1.793368 -0.5883499 0.24520294 -1.1964215 -1.0855244 0.042916097 -1.2300085 -1.1580868 -1.009009 -0.07793172 -1.246611 1.295606 0.572576 0.35252407 -0.023596575 1.4159985 -0.03128946 -0.028955435 -1.185477 -1.2869214 1.4006505 0.78426284 -0.20582193 -0.7051574 -1.1065468 -0.09874948 PE(18:0p/20:5) -0.5622727 -0.45811236 -0.54447377 0.112458415 -0.7862373 -0.9687693 0.14159803 -0.9687693 0.3994321 -0.92199856 -0.82687724 0.70812833 1.0065408 -0.24913795 -0.7835133 -0.7518234 -0.3899934 0.9066245 2.225399 -0.45137346 -0.44792286 -0.7013968 -0.52299285 -0.2978285 0.023470167 -0.76603055 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4.072205 -0.89528006 -0.38867584 -0.6917368 0.25233185 -0.90010536 1.3086116 -1.083657 1.2877976 -0.17430411 0.15858026 1.0728675 -1.1269838 -0.04058489 -1.085565 -1.1269838 0.87975234 0.2522434 -0.8343578 -0.8662692 -0.5170431 -0.36497128 2.3714256 -0.7412204 -0.9687693 -0.9687693 -0.90586084 0.06888709 -0.063631766 1.2488027 2.958068 0.07579272 -0.92963517 -0.22215492 1.9372758 1.5987127 -0.22693083 -0.11646838 -1.1269838 -0.2018304 -0.013470381 -1.0688503 0.19557366 -1.014314 1.7511853 -0.38515466 1.2301954 -0.7844943 -0.94269127 0.37043512 -0.69707704 1.1663914 -0.7321138 -1.1269838 0.23297618 0.22951108 0.088183686 0.54758114 0.1654595 -0.71619046 0.2021147 1.1080761 1.5782123 0.4906589 0.5398366 -0.808743 3.3954892 -1.016939 -1.0722866 -0.036670018 -0.95472676 -0.89685965 -0.80004835 0.014133623 -0.9117701 1.2042419 0.005499311 -0.18362774 0.46218917 2.0133808 0.019610176 0.24355467 -1.1142586 -1.1269838 0.3336463 1.9281776 -0.41800904 0.12433192 -0.90007037 0.7062373 PE(18:0p/22:6) -0.6108599 -0.36059445 -0.6157988 -0.007004424 -0.9722904 -1.1647586 1.4585481 -1.1647586 0.26630923 -1.1046844 -0.96267647 1.1154023 1.1208273 0.13543646 -0.8319534 -0.887682 -0.59142137 1.0196092 1.6760633 0.61840045 -0.43586192 -0.8531937 -0.19333297 -0.6049153 0.006455585 -0.67818314 0.14214417 -0.6488047 0.14737792 -0.88644385 -0.60878766 -0.116029 -0.1708867 -0.587719 0.63024837 0.5889019 0.7474548 1.8450859 -1.1229054 -0.14265056 0.83104366 0.7857288 -1.1647586 0.57238966 1.3016984 -0.39248952 -0.52052593 0.23695408 -0.37427408 0.51909614 1.3238786 1.6798874 -1.1461934 0.43578058 1.5331734 -0.5351468 3.948163 -0.8281839 0.8486762 -1.1647586 0.059117977 -0.9102057 0.5301516 -1.0844493 -1.1473873 -1.3420702 0.4948217 -1.3420702 0.8172561 0.291838 -1.2852285 -1.3420702 0.005186772 -0.8340776 2.345252 -0.5738682 0.005784429 0.7715745 1.537929 0.8351889 -0.043299668 -1.3420702 0.016496468 -0.19264375 -1.3420702 -1.3420702 -0.6540649 0.13699827 -0.24986856 0.469169 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1.9575034 1.7185268 -0.5530119 -0.9317817 0.68626016 0.18012442 -0.65726465 -0.59655553 1.2544011 -0.4840898 -0.88920027 -1.0899086 0.96770597 -0.44857717 -0.583399 -1.2618114 -1.2140471 -0.6410554 -0.59625626 0.4326436 -0.14398168 -0.43451232 0.88298464 2.290837 -0.7103673 -0.0823322 0.003381479 -1.9486246 0.2796155 -0.14390405 -0.9212091 -0.6290061 1.1932024 -0.833125 1.2975428 -0.6925741 0.90461004 -0.186137 -0.1498533 0.008510023 1.1844052 0.65915424 -0.9384954 -0.28110087 -0.5672533 -1.9486246 -0.31195772 1.888809 -0.6269982 -0.44127062 1.3575749 -1.1102444 -0.11895976 0.4342832 1.4484401 1.229499 -0.16594268 0.7269542 0.1864478 -0.2944093 -0.5131397 0.7432151 1.5583894 -0.5703669 1.6823425 0.14217347 0.529848 -0.78745896 0.44808784 0.47269437 0.3611101 -0.5891947 -0.22480783 -0.035416484 3.3344169 -0.46309057 -0.903675 0.007360405 1.2988033 -0.9183788 -1.9486246 1.3189299 -0.26280224 0.2923659 0.052039232 -0.31202498 -0.7070055 -0.47166336 1.0972503 -0.096053585 -0.42872885 1.0769004 -0.9703491 0.33888996 0.6457534 -1.0697471 0.67842495 -0.14446124 -1.1411813 -0.8268666 -0.9721916 -0.46136382 0.39275655 -1.034766 -0.4309409 1.7527165 -0.09638191 -1.1375 0.38327524 3.0680435 -0.3553735 2.6503046 -1.0471851 2.0141273 0.3190985 0.097391576 -1.9486246 -0.1390077 PS(36:1) -0.9472124 1.9954731 -0.3741823 -0.7948469 -0.16254453 -1.580034 -0.36296266 -0.31790537 -0.21588996 0.23261437 0.8773287 -0.8460252 -0.67792106 0.49537984 0.4104966 -0.56700635 -0.07541816 -1.3753039 -0.72199005 1.3272957 1.6907498 1.4213175 -0.7272965 0.994846 1.0637475 0.3074117 0.45129806 -0.23892969 0.97452223 -0.55128115 4.509756 -1.0591096 0.49203378 1.7063556 1.6931491 0.8391658 -0.44986743 0.43764555 0.855155 -0.60616267 -0.6963929 -0.10500898 -0.7397959 2.1535003 -0.5053981 -0.7486212 0.030533971 -0.818406 -0.9509847 -0.28495395 -0.47841007 -1.0398967 0.87214065 -1.0022986 1.237637 0.50127524 0.1650715 0.4880954 0.27975643 -0.6595271 -0.3176391 -0.010562208 -0.15912151 0.74078816 0.16928779 -0.6936776 0.25416514 -0.64516187 -0.037554406 -0.22098333 -0.37953538 1.0507447 0.06389034 -0.045077767 -0.08195249 -0.42527905 0.71918076 0.40201047 1.1931419 -0.5027668 0.3271922 0.8032099 0.4832603 0.04189961 1.1747491 -0.024769632 0.326009 -0.40885672 2.5451345 -0.5029611 -0.39057183 0.24133514 -0.5453199 -0.22604533 0.061033826 0.53064495 1.5143359 0.93329036 -0.06048196 1.6848024 -1.0504425 -1.2850428 0.6372003 0.36519876 0.2082661 -0.5879328 -0.036376707 -0.065205574 0.72691774 -0.09483538 0.26241878 -0.82657135 0.47969708 -0.57077473 -0.74146354 0.63949406 0.76660657 -0.3417294 -1.4070239 -0.1747264 -1.0281869 0.96372914 1.5759938 0.039803278 0.06626144 3.594115 -0.2815578 -0.21916643 0.073090434 0.5574217 5.3248363 -0.7444685 -0.8242746 0.8427669 -0.955755 -1.0186203 -1.061292 -0.35008052 -0.7203466 -1.1104487 -0.29717144 -0.66945726 -0.57100856 -0.9590526 2.6309679 -1.2847914 -0.8470202 -0.7038442 0.49514723 -0.8430078 -0.120816804 -1.06234 0.4362745 -0.39051813 -0.31268013 -0.6780555 -0.27711383 0.09962822 -1.1256598 -0.5553029 -0.9361626 -0.45988953 0.3253752 0.38351366 0.05738463 1.380982 -0.8391092 -0.49401054 -0.95873994 -0.58934236 -0.21282603 -0.7120924 -0.1451975 -0.37959424 -0.8445983 -0.004902574 -0.79447293 -0.40152243 -1.4070239 -0.68638915 0.8197686 -0.14345387 0.9080117 -0.09135607 -0.86525106 1.1707532 -0.8154894 0.78847456 -1.0772548 -0.55202264 -0.2515713 -0.7709324 -0.5311633 -1.0472833 -0.30384907 -1.0355163 0.15908735 0.3649415 -1.0790874 -0.2686767 -0.95263654 -0.857411 3.4205945 -0.5287933 -0.8621327 0.8564441 -0.73120475 PS(38:4) -0.118973486 1.108619 0.086281344 -1.0529935 -0.32719004 -1.6789218 -0.68618727 0.42545694 0.9909824 1.1494268 0.7656064 -0.91591305 -0.43922204 1.3227016 0.3197837 -0.6527559 0.88207245 -0.79203266 -1.1916975 0.8197545 2.7987351 0.032254834 -0.91520226 -0.19988036 0.30649567 -0.099381134 0.8443259 -0.73217154 1.2291228 -0.8682549 3.1648533 0.7474655 0.5249872 3.1749701 2.044748 0.7414316 -0.91703546 0.22965096 0.42717934 -0.6461836 -0.03431949 0.45318356 -0.39177784 -0.06416564 -0.38430685 -0.7821541 0.14294367 -0.3715766 -0.4475238 -0.64022005 -0.13647859 -1.3759096 2.1377137 -0.2204136 0.028838621 2.1896377 -0.115042105 0.17519394 0.3168784 -0.006605045 -0.7251992 -0.39143512 -0.1674521 -1.1756587 -0.318835 -0.8022917 -0.28459504 -0.90326923 -0.47566143 -0.29721278 0.89965767 0.24181357 0.17871493 1.0370222 0.0937302 -0.978871 1.1704588 0.57469773 0.6487321 0.16661775 -0.2561281 1.1525834 2.5432596 -0.20778997 -0.46249387 0.872096 -0.034797236 -0.18859275 4.0014367 -0.39806408 -1.1580398 -0.2111916 0.1491963 0.19023658 -0.37886217 0.2939558 1.1833346 0.17891738 -0.5592314 2.0376282 -0.9333424 -1.6601322 2.0611455 0.29585114 -0.28234625 -0.4509272 -0.34006703 -0.6737408 -0.79981035 -0.44924715 0.22749797 -1.0266225 0.104143694 -0.46034563 -0.84986603 -0.45792642 2.189674 -0.54818577 -1.9043958 0.3666655 -1.2231575 0.9477668 0.5022909 0.8086545 1.1429373 2.422047 -0.13435423 -0.19779618 -0.06651995 0.60142064 2.629366 -1.1455951 -1.0098845 0.014865989 -1.1998794 -1.0983673 -1.37609 0.5085043 -0.35963354 -1.3182536 -0.40053204 -1.270732 -1.0684322 -1.2912338 0.9990062 -1.0359995 -1.0995615 -0.86790663 0.95086884 -0.6404462 -0.092022665 -1.4959067 -0.31500947 -0.12202983 0.7053966 -0.02766563 -0.6742697 0.55467784 -1.3121222 -0.07398552 -0.087884426 -0.23840363 0.6347844 0.8905349 -0.4255693 0.98205805 -0.23599724 0.09180088 -1.072959 -0.19616823 -0.5055996 -0.4260112 1.45562 -0.5820165 -0.8666452 1.2711619 -0.71468574 -0.366263 -1.3204906 -0.53142434 -0.026187435 0.26393607 0.32600462 -0.541933 -0.8564749 0.41285285 -0.020375501 -0.413403 -0.80139226 0.33411586 -0.15971549 -0.5561111 -0.6401291 -1.1122828 0.7952336 -1.3233263 0.114164814 1.1203989 -0.6363518 0.03412617 -0.5317938 -0.81722933 2.781873 -0.6311523 -1.2635653 0.99861634 -0.4994015 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Analyte Expected RT (min) Analyte Mass Ranges (Da) Cer(18:0;O2/18:0) 1.53 568.6/266.3 Da Cer(18:0;O2/20:0) 1.52 596.6/266.3 Da Cer(18:0;O2/23:0) 1.5 638.7/266.3 Da Cer(18:0;O2/24:0) 1.49 652.7/266.3 Da Cer(18:0;O2/24:1) 1.49 650.7/266.3 Da Cer(18:0;O2/26:0) 1.53 680.8/266.3 Da Cer(18:0;O2/26:1) 1.48 678.8/266.3 Da Cer(18:0;O2/26:2) 1.46 676.8/266.3 Da Cer(18:1;O2/14:0) 1.54 510.5/264.3 Da Cer(18:1;O2/15:0) 1.5 524.4/264.3Da Cer(18:1;O2/16:0) 1.53 538.5/264.3 Da Cer(18:1;O2/18:0) 1.52 566.6/264.3 Da Cer(18:1;O2/18:1) 1.51 564.5/264.3 Da Cer(18:1;O2/19:0) 1.5 580.6/264.3 Da Cer(18:1;O2/20:0) 1.51 594.6/264.3 Da Cer(18:1;O2/22:0) 1.5 622.7/264.3 Da Cer(18:1;O2/23:0) 1.49 636.7/264.3 Da Cer(18:1;O2/24:0) 1.49 650.7/264.3 Da Cer(18:1;O2/24:1) 1.48 648.7/264.3 Da Cer(18:1;O2/25:0) 1.5 664.7/264.3 Da Cer(18:1;O2/26:0) 1.47 678.8/264.3 Da Cer(18:1;O2/26:1) 1.47 676.8/264.3 Da Cer(18:2;O2/15:0) 1.5 522.5/262.3 Da Cer(18:2;O2/16:0) 1.53 536.5/262.3 Da Cer(18:2;O2/17:0) 1.5 550.5/262.3 Da Cer(18:2;O2/18:0) 1.51 564.5/262.3 Da Cer(18:2;O2/18:1) 1.52 562.5/262.3 Da Cer(18:2;O2/19:0) 1.5 578.6/262.3 Da Cer(18:2;O2/20:0) 1.5 592.6/262.3 Da Cer(18:2;O2/20:1) 1.5 590.6/262.3 Da Cer(18:2;O2/21:0) 1.49 606.6/262.3 Da Cer(18:2;O2/22:0) 1.49 620.6/262.3 Da Cer(18:2;O2/23:0) 1.47 634.7/262.3 Da Cer(18:2;O2/23:1) 1.48 632.7/262.3 Da Cer(18:2;O2/24:0) 1.46 648.7/262.3 Da Cer(18:2;O2/24:1) 1.48 646.7/262.3 Da Cer(18:2;O2/24:2) 1.47 644.7/262.3 Da Cer(18:2;O2/26:0) 1.46 676.8/262.3 Da Cer(18:2;O2/26:1) 1.46 674.7/262.3 Da LPC(16:0) 10.1 496.4/184.1 Da LPC(18:0) 9.91 524.5/184.1 Da LPC(18:1) 9.72 522.5/184.1 Da LPC(18:2) 9.84 520.5/184.1 Da LPC(20:4) 9.63 544.5/184.1 Da LPC(22:6) 9.56 568.5/184.1 Da LPE(16:0) 7.85 454.4/313.2 Da LPE(18:0) 7.38 482.4/341.3 Da LPE(18:1) 7.76 480.4/339.3 Da PA(34:1) 6.1 692.5/577.4 Da PA(34:2) 6.12 690.5/575.4 Da PA(36:2) 6 718.5/603.4 Da PA(38:4) 6 742.5/627.4 Da PE(16:0p/18:2) 6.64 700.6/364.6 Da PE(16:0p/20:3) 6.56 726.7/364.6 Da PE(16:0p/20:4) 6.52 724.7/364.6 Da PE(16:0p/22:4) 6.51 752.7/364.6 Da PE(16:0p/22:5) 6.55 750.7/364.6 Da PE(16:0p/22:6) 6.5 748.7/364.6 Da PE(18:0p/18:1) 6.61 730.7/392.4 Da PE(18:0p/18:2) 6.61 728.7/392.4 Da PE(18:0p/20:4) 6.48 752.7/392.4 Da PE(18:0p/20:5) 6.48 750.7/392.4 Da PE(18:0p/22:6) 6.44 776.7/392.4 Da PE(32:0) 6.77 692.6/551.6 Da PE(34:0) 6.72 720.6/579.6 Da PE(34:1) 6.72 718.6/577.6 Da PE(34:2) 6.7 716.6/575.6 Da PE(36:1) 6.67 746.7/605.7 Da PE(36:2) 6.65 744.6/603.6 Da PE(36:3) 6.66 742.6/601.6 Da PE(36:4) 6.62 740.6/599.6 Da PE(36:5) 6.59 738.6/597.6 Da PE(38:2) 6.63 772.7/631.7 Da PE(38:3) 6.6 770.7/629.7 Da PE(38:4) 6.56 768.7/627.7 Da PE(38:5) 6.57 766.6/625.6 Da PE(38:6) 6.59 764.6/623.6 Da PE(40:4) 6.58 796.7/655.7 Da PE(40:5) 6.58 794.7/653.7 Da PE(40:6) 6.56 792.7/651.7 Da PE(40:7) 6.52 790.7/649.7 Da PE(40:8) 6.55 788.7/647.7 Da PG(34:1) 5.47 766.6/577.7 Da PG(34:2) 5.46 764.5/575.7 Da PG(36:1) 5.44 794.6/605.7 Da PG(36:2) 5.44 792.6/603.7 Da PG(36:4) 5.4 788.6/599.7 Da PI(32:0) 5.7 832.8/555.7 Da PI(32:1) 5.7 830.8/553.7 Da PI(34:1) 5.73 854.8/577.7 Da PI(34:2) 5.7 852.7/575.6 Da PI(36:1) 5.7 882.8/605.7 Da PI(36:2) 5.69 880.8/603.7 Da PI(36:3) 5.69 878.8/601.7 Da PI(36:4) 5.7 876.8/599.7 Da PI(38:2) 5.67 908.8/631.7 Da PI(38:3) 5.66 906.8/629.7 Da PI(38:4) 5.65 904.8/627.7 Da PI(38:5) 5.65 902.8/625.7 Da PI(38:6) 5.7 900.8/623.7 Da PI(40:5) 5.65 930.8/653.7 Da PI(40:6) 5.65 928.8/651.7 Da PI(40:7) 5.65 926.8/649.7 Da PS(36:1) 7.6 790.6/605.7 Da PS(38:4) 7.28 812.6/627.7 Da METABOLITES_END #END