#METABOLOMICS WORKBENCH t_ktmt_0211_20240805_184830 DATATRACK_ID:5084 STUDY_ID:ST003452 ANALYSIS_ID:AN005668 PROJECT_ID:PR002126 VERSION 1 CREATED_ON 03-30-2025 #PROJECT PR:PROJECT_TITLE Integrative proteomic and lipidomic analysis of GNB1 and SCARB2 knockdown in PR:PROJECT_TITLE human subcutaneous adipocytes PR:PROJECT_TYPE Multi-omics (Proteomics and Lipidomics) PR:PROJECT_SUMMARY This project focuses on the knockdown of two candidate genes, GNB1 and SCARB2, PR:PROJECT_SUMMARY identified through a comprehensive integration of genome-wide association PR:PROJECT_SUMMARY studies (GWAS) related to BMI and proteomics data from previous studies using PR:PROJECT_SUMMARY human subcutaneous adipocytes before and after fat accumulation. We aim to PR:PROJECT_SUMMARY understand the regulatory roles of these genes in fat accumulation by performing PR:PROJECT_SUMMARY an integrated analysis of changes in the proteome and lipidome using mass PR:PROJECT_SUMMARY spectrometry following gene knockdown. PR:INSTITUTE Hamamatsu University School of Medicine PR:LAST_NAME Kitamoto PR:FIRST_NAME Takuya PR:ADDRESS 1-20-1 Handayama, Chuo-ku, Hamamatsu 431-3192, Japan PR:EMAIL t.ktmt@hama-med.ac.jp PR:PHONE +81-53-435-2987 PR:PUBLICATIONS DOI: 10.1371/journal.pone.0319163 PR:DOI http://dx.doi.org/10.21228/M8T52T #STUDY ST:STUDY_TITLE Integrated Proteomic and Lipidomic Analysis ST:STUDY_SUMMARY GNB1 and SCARB2 genes were knocked down in human subcutaneous adipocytes using ST:STUDY_SUMMARY RNA interference. Both proteomic and lipidomic analyses were performed using ST:STUDY_SUMMARY mass spectrometry. The proteomic results revealed significant changes in the ST:STUDY_SUMMARY expression levels of key proteins involved in lipid metabolism and adipogenesis. ST:STUDY_SUMMARY The lipidomic analysis identified significant changes in lipid species, ST:STUDY_SUMMARY including phosphatidylcholines, ceramides, and cholesterol esters. This ST:STUDY_SUMMARY integrated analysis provides insights into the molecular pathways and lipid ST:STUDY_SUMMARY metabolism regulated by GNB1 and SCARB2 in adipocyte function. ST:INSTITUTE Hamamatsu University School of Medicine ST:LAST_NAME Kitamoto ST:FIRST_NAME Takuya ST:ADDRESS 1-20-1 Handayama, Chuo-ku, Hamamatsu 431-3192, Japan ST:EMAIL t.ktmt@hama-med.ac.jp ST:PHONE +81-53-435-2987 ST:SUBMIT_DATE 2024-08-05 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 38 SU:GENDER Female SU:CELL_BIOSOURCE_OR_SUPPLIER Zen-Bio, Inc. (Research Triangle Park, NC, USA) SU:SUBJECT_COMMENTS The cell line was derived from abdominal subcutaneous adipose tissue SU:SPECIES_GROUP Mammals #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS GNB1_1 lipidome_GNB1_1 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:GNB1 Analysis Method=lipidome; RAW_FILE_NAME=lipidome_GNB1_1.raw SUBJECT_SAMPLE_FACTORS GNB1_2 lipidome_GNB1_2 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:GNB1 Analysis Method=lipidome; RAW_FILE_NAME=lipidome_GNB1_2.raw SUBJECT_SAMPLE_FACTORS GNB1_3 lipidome_GNB1_3 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:GNB1 Analysis Method=lipidome; RAW_FILE_NAME=lipidome_GNB1_3.raw SUBJECT_SAMPLE_FACTORS GNB1_1 proteome_GNB1_1 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:GNB1 Analysis Method=proteome; RAW_FILE_NAME=proteome_GNB1_1.raw SUBJECT_SAMPLE_FACTORS GNB1_2 proteome_GNB1_2 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:GNB1 Analysis Method=proteome; RAW_FILE_NAME=proteome_GNB1_2.raw SUBJECT_SAMPLE_FACTORS GNB1_3 proteome_GNB1_3 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:GNB1 Analysis Method=proteome; RAW_FILE_NAME=proteome_GNB1_3.raw SUBJECT_SAMPLE_FACTORS NC_1 lipidome_nc_1 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:Negative Control Analysis Method=lipidome; RAW_FILE_NAME=lipidome_nc_1.raw SUBJECT_SAMPLE_FACTORS NC_2 lipidome_nc_2 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:Negative Control Analysis Method=lipidome; RAW_FILE_NAME=lipidome_nc_2.raw SUBJECT_SAMPLE_FACTORS NC_3 lipidome_nc_3 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:Negative Control Analysis Method=lipidome; RAW_FILE_NAME=lipidome_nc_3.raw SUBJECT_SAMPLE_FACTORS NC_1 proteome_nc_1 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:Negative Control Analysis Method=proteome; RAW_FILE_NAME=proteome_nc_1.raw SUBJECT_SAMPLE_FACTORS NC_2 proteome_nc_2 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:Negative Control Analysis Method=proteome; RAW_FILE_NAME=proteome_nc_2.raw SUBJECT_SAMPLE_FACTORS NC_3 proteome_nc_3 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:Negative Control Analysis Method=proteome; RAW_FILE_NAME=proteome_nc_3.raw SUBJECT_SAMPLE_FACTORS SCARB2_1 lipidome_SCARB2_1 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:SCARB2 Analysis Method=lipidome; RAW_FILE_NAME=lipidome_SCARB2_1.raw SUBJECT_SAMPLE_FACTORS SCARB2_2 lipidome_SCARB2_2 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:SCARB2 Analysis Method=lipidome; RAW_FILE_NAME=lipidome_SCARB2_2.raw SUBJECT_SAMPLE_FACTORS SCARB2_3 lipidome_SCARB2_3 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:SCARB2 Analysis Method=lipidome; RAW_FILE_NAME=lipidome_SCARB2_3.raw SUBJECT_SAMPLE_FACTORS SCARB2_1 proteome_SCARB2_1 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:SCARB2 Analysis Method=proteome; RAW_FILE_NAME=proteome_SCARB2_1.raw SUBJECT_SAMPLE_FACTORS SCARB2_2 proteome_SCARB2_2 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:SCARB2 Analysis Method=proteome; RAW_FILE_NAME=proteome_SCARB2_2.raw SUBJECT_SAMPLE_FACTORS SCARB2_3 proteome_SCARB2_3 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:SCARB2 Analysis Method=proteome; RAW_FILE_NAME=proteome_SCARB2_3.raw #COLLECTION CO:COLLECTION_SUMMARY Primary cultured human preadipocytes were obtained from Zen-Bio, Inc., derived CO:COLLECTION_SUMMARY from the abdominal subcutaneous adipose tissue of a 38-year-old Caucasian woman. CO:COLLECTION_SUMMARY The cells were grown, differentiated, and collected as mature adipocytes on day CO:COLLECTION_SUMMARY 14. All experiments were performed in three independent replicates. CO:SAMPLE_TYPE White adipose #TREATMENT TR:TREATMENT_SUMMARY siRNA transfection was performed to knock down the expression of GNB1 and SCARB2 TR:TREATMENT_SUMMARY genes in differentiated human subcutaneous adipocytes. Three rounds of TR:TREATMENT_SUMMARY transfection were carried out over a period of 14 days. Following the final TR:TREATMENT_SUMMARY transfection, cells were harvested for both proteomic and lipidomic analyses. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Proteomics: Cells were lysed, proteins were extracted, and concentrations were SP:SAMPLEPREP_SUMMARY determined using the BCA assay. Proteins were precipitated, reduced, alkylated, SP:SAMPLEPREP_SUMMARY and digested with trypsin. Peptides were purified using a MonoSpin C18 column SP:SAMPLEPREP_SUMMARY and analyzed using an EASY-nLC 1200 and a Q-Exactive Orbitrap mass spectrometer SP:SAMPLEPREP_SUMMARY (Thermo Fisher Scientific). Data were processed using Proteome Discoverer 2.2 SP:SAMPLEPREP_SUMMARY software (Thermo Fisher Scientific). Lipidomics: Lipids were extracted using the SP:SAMPLEPREP_SUMMARY Bligh and Dyer method, dissolved in methanol, and analyzed using an Ultimate SP:SAMPLEPREP_SUMMARY 3000 and a Q-Exactive Orbitrap mass spectrometer (Thermo Fisher Scientific). SP:SAMPLEPREP_SUMMARY Data were processed using LipidSearch software version 5.1.9 (Thermo Fisher SP:SAMPLEPREP_SUMMARY Scientific). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY HPLC lipidome analysis. C18 column (Acclaim 120 C18 column (3 μm, 2.1 mm à 150 CH:CHROMATOGRAPHY_SUMMARY mm), gradient elution with aqueous and organic solvents containing ammonium CH:CHROMATOGRAPHY_SUMMARY formate and formic acid. Flow rate: 300 μL/min, column at 50°C. 70-min CH:CHROMATOGRAPHY_SUMMARY gradient. Solvent A: 5 mM ammonium formate in water/methanol/acetonitrile CH:CHROMATOGRAPHY_SUMMARY (2:1:1) with 0.1% formic acid; Solvent B: 5 mM ammonium formate in CH:CHROMATOGRAPHY_SUMMARY isopropanol/acetonitrile (9:1) with 0.1% formic acid CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Thermo Acclaim (150 x 2.1mm, 3um) CH:COLUMN_TEMPERATURE 50â CH:FLOW_GRADIENT 20% to 100% B over 50 min, 100% B for 10 min, then return to 20% B CH:FLOW_RATE 300 μL/min CH:SOLVENT_A 50% water/25% methanol/25% acetonitrile; 5 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 90% isopropanol/10% acetonitrile; 5 mM ammonium formate; 0.1% formic acid CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS MS acquisition Comments: Full scan MS followed by data-dependent MS/MS Data MS:MS_COMMENTS processing Comments: Raw data processed using LipidSearch for lipidomics MS:MS_COMMENTS Software/procedures used for feature assignments: LipidSearch for lipid MS:MS_COMMENTS identification MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Relative abundance (isotope normalized) MS_METABOLITE_DATA_START Samples lipidome_GNB1_1 lipidome_GNB1_2 lipidome_GNB1_3 lipidome_nc_1 lipidome_nc_2 lipidome_nc_3 lipidome_SCARB2_1 lipidome_SCARB2_2 lipidome_SCARB2_3 Factors Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:GNB1 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:GNB1 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:GNB1 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:Negative Control Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:Negative Control Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:Negative Control Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:SCARB2 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:SCARB2 Sample source:Human subcutaneous adipocytes | Gene Knockdown Target:SCARB2 Cer(d18:1_16:0) 0.0076 0.0076 0.0075 0.0055 0.0059 0.0051 0.0065 0.0058 0.0050 Cer(d18:1_17:0) 0.0005 0.0004 0.0005 0.0003 0.0003 0.0004 0.0003 0.0003 0.0002 Cer(d18:1_18:0) 0.0017 0.0015 0.0019 0.0010 0.0011 0.0013 0.0013 0.0012 0.0010 Cer(d18:1_20:0) 0.0008 0.0006 0.0007 0.0005 0.0006 0.0008 0.0007 0.0006 0.0004 Cer(d18:1_21:0) 0.0003 0.0001 0.0002 0.0002 0.0002 0.0004 0.0002 0.0002 0.0001 Cer(d18:1_22:0) 0.0028 0.0023 0.0025 0.0016 0.0019 0.0020 0.0022 0.0020 0.0015 Cer(d18:1_22:1) 0.0012 0.0012 0.0014 0.0008 0.0010 0.0009 0.0011 0.0010 0.0009 Cer(d18:1_23:0) 0.0008 0.0006 0.0008 0.0005 0.0006 0.0008 0.0007 0.0006 0.0004 Cer(d18:1_23:1) 0.0006 0.0006 0.0008 0.0004 0.0005 0.0004 0.0005 0.0005 0.0005 Cer(d18:1_24:0) 0.0045 0.0031 0.0039 0.0025 0.0034 0.0033 0.0038 0.0028 0.0021 Cer(d18:1_24:1) 0.0096 0.0087 0.0098 0.0062 0.0078 0.0058 0.0078 0.0066 0.0064 Cer(d18:2_16:0) 0.0008 0.0007 0.0009 0.0004 0.0005 0.0004 0.0006 0.0005 0.0005 Cer(d18:2_18:0) 0.0003 0.0003 0.0004 0.0002 0.0002 0.0003 0.0002 0.0002 0.0002 Cer(d18:2_24:1) 0.0027 0.0025 0.0031 0.0018 0.0022 0.0016 0.0024 0.0022 0.0021 Cer(d19:1_24:0) 0.0003 0.0002 0.0003 0.0003 0.0002 0.0005 0.0003 0.0003 0.0001 Cer(d20:1_24:0) 0.0004 0.0002 0.0003 0.0008 0.0003 0.0006 0.0003 0.0003 0.0002 Cer(d20:1_24:1) 0.0003 0.0002 0.0006 0.0007 0.0003 0.0006 0.0004 0.0005 0.0003 Ch 58.4810 57.0165 51.9197 54.1127 52.3450 49.3284 50.2295 52.0224 52.7774 ChE(18:1) 0.2911 0.2679 0.2772 0.6470 0.6077 0.3636 0.4024 0.3520 0.4397 ChE(18:2) 0.0827 0.0714 0.0557 0.1479 0.1666 0.1133 0.0821 0.0804 0.0865 ChE(19:2) 0.5729 0.7110 0.5571 0.7716 0.6850 0.6236 0.7404 0.7454 0.6909 ChE(20:3) 0.1351 0.1296 0.1333 0.2342 0.2791 0.2102 0.2594 0.2242 0.2271 ChE(20:4) 0.3249 0.3624 0.3070 0.4736 0.5518 0.3769 0.4742 0.4267 0.3874 ChE(22:3) 0.0871 0.0899 0.0870 0.1494 0.1538 0.1317 0.1404 0.1368 0.1333 ChE(22:4) 0.2478 0.2749 0.2832 0.4258 0.4400 0.4039 0.5251 0.5061 0.5031 ChE(22:5) 0.1873 0.2067 0.1858 0.2849 0.3079 0.3342 0.4293 0.3960 0.3440 ChE(22:6) 0.1120 0.1151 0.0952 0.0772 0.0872 0.1324 0.1809 0.2077 0.1773 ChE(24:3) 0.0302 0.0318 0.0321 0.0507 0.0568 0.0491 0.0401 0.0426 0.0398 ChE(24:4) 0.0429 0.0452 0.0450 0.0754 0.0849 0.0727 0.0965 0.0865 0.0920 ChE(24:5) 0.0325 0.0394 0.0323 0.0452 0.0561 0.0495 0.0477 0.0512 0.0425 DG(12:0_14:0) 0.0019 0.0010 0.0020 0.0020 0.0032 0.0028 0.0010 0.0018 0.0027 DG(14:0_16:0) 0.0135 0.0148 0.0142 0.0173 0.0287 0.0145 0.0161 0.0197 0.0205 DG(14:0_16:1) 0.0207 0.0258 0.0189 0.0274 0.0611 0.0250 0.0229 0.0219 0.0248 DG(14:1_16:1) 0.0064 0.0101 0.0069 0.0092 0.0246 0.0083 0.0083 0.0080 0.0083 DG(16:0_16:1) 0.1434 0.1873 0.1323 0.1627 0.4412 0.1610 0.1584 0.1443 0.1574 DG(16:0_18:0) 0.0121 0.0085 0.0099 0.0089 0.0132 0.0103 0.0120 0.0106 0.0115 DG(16:0_18:1) 0.1506 0.1671 0.1371 0.1258 0.2878 0.1291 0.1616 0.1549 0.1662 DG(16:0_19:1) 0.0106 0.0118 0.0091 0.0066 0.0124 0.0083 0.0123 0.0121 0.0132 DG(16:0_20:4) 0.0054 0.0062 0.0049 0.0042 0.0087 0.0047 0.0079 0.0060 0.0059 DG(16:0_22:6) 0.0038 0.0042 0.0037 0.0024 0.0057 0.0030 0.0054 0.0047 0.0049 DG(16:1_16:1) 0.0793 0.1184 0.0692 0.1066 0.2929 0.0981 0.0932 0.0803 0.1037 DG(16:1_16:2) 0.0009 0.0010 0.0006 0.0008 0.0018 0.0006 0.0009 0.0010 0.0010 DG(16:1_17:1) 0.0031 0.0030 0.0027 0.0030 0.0047 0.0030 0.0031 0.0031 0.0038 DG(16:1_18:1) 0.1692 0.2080 0.1597 0.1572 0.4288 0.1604 0.1905 0.2067 0.1994 DG(16:1_19:1) 0.0096 0.0173 0.0130 0.0123 0.0271 0.0129 0.0179 0.0182 0.0184 DG(16:1_20:4) 0.0023 0.0025 0.0021 0.0020 0.0053 0.0022 0.0030 0.0027 0.0029 DG(16:1_22:6) 0.0033 0.0038 0.0032 0.0026 0.0060 0.0032 0.0045 0.0042 0.0044 DG(18:0_18:1) 0.0255 0.0211 0.0201 0.0146 0.0226 0.0169 0.0256 0.0218 0.0236 DG(18:0_20:0) 0.0006 0.0003 0.0005 0.0006 0.0008 0.0006 0.0005 0.0006 0.0007 DG(18:0_20:3) 0.0022 0.0017 0.0020 0.0014 0.0021 0.0015 0.0019 0.0016 0.0014 DG(18:0_20:4) 0.0061 0.0052 0.0058 0.0047 0.0065 0.0050 0.0083 0.0069 0.0062 DG(18:0_22:4) 0.0031 0.0028 0.0028 0.0023 0.0033 0.0020 0.0037 0.0028 0.0028 DG(18:1_16:2) 0.0087 0.0101 0.0072 0.0078 0.0190 0.0073 0.0093 0.0090 0.0093 DG(18:1_18:2) 0.0135 0.0149 0.0130 0.0104 0.0190 0.0119 0.0159 0.0144 0.0153 DG(18:1_20:1) 0.0082 0.0072 0.0085 0.0048 0.0075 0.0051 0.0093 0.0083 0.0101 DG(18:1_20:4) 0.0096 0.0099 0.0089 0.0073 0.0142 0.0077 0.0096 0.0111 0.0122 DG(18:1_22:1) 0.0016 0.0013 0.0016 0.0011 0.0016 0.0010 0.0020 0.0016 0.0016 DG(18:1_22:2) 0.0014 0.0012 0.0013 0.0009 0.0012 0.0008 0.0011 0.0011 0.0008 DG(18:1_22:4) 0.0050 0.0050 0.0048 0.0034 0.0055 0.0031 0.0069 0.0058 0.0058 DG(18:1_22:5) 0.0039 0.0036 0.0021 0.0021 0.0038 0.0019 0.0049 0.0045 0.0044 DG(4:0_16:1) 0.0018 0.0026 0.0013 0.0027 0.0084 0.0022 0.0009 0.0009 0.0009 DG(4:0_18:1) 0.0024 0.0033 0.0020 0.0029 0.0075 0.0026 0.0013 0.0013 0.0014 Hex1Cer(d18:1_24:0) 0.0017 0.0013 0.0018 0.0010 0.0012 0.0010 0.0016 0.0015 0.0013 Hex2Cer(d18:1_16:0) 0.0009 0.0007 0.0010 0.0007 0.0008 0.0006 0.0008 0.0007 0.0006 Hex2Cer(d18:1_22:0) 0.0002 0.0002 0.0002 0.0002 0.0002 0.0001 0.0002 0.0001 0.0001 Hex3Cer(d18:1_16:0) 0.0008 0.0007 0.0009 0.0007 0.0008 0.0007 0.0008 0.0008 0.0006 Hex3Cer(d18:1_24:0) 0.0014 0.0012 0.0016 0.0010 0.0013 0.0011 0.0013 0.0013 0.0011 LPC(15:0) 0.0071 0.0134 0.0125 0.0203 0.0284 0.0058 0.0194 0.0304 0.0473 LPC(16:0) 0.0060 0.0076 0.0078 0.0080 0.0132 0.0039 0.0083 0.0095 0.0129 LPC(18:0) 0.0032 0.0035 0.0038 0.0027 0.0040 0.0025 0.0038 0.0034 0.0041 LPC(18:1) 0.0052 0.0125 0.0117 0.0121 0.0166 0.0032 0.0136 0.0169 0.0213 LPC(20:4) 0.0011 0.0029 0.0021 0.0028 0.0029 0.0009 0.0047 0.0044 0.0047 LPE(15:0) 0.0937 0.0999 0.1289 0.1390 0.1862 0.0680 0.1452 0.1731 0.2061 LPE(16:0) 0.2136 0.2613 0.3267 0.3243 0.5178 0.1776 0.2952 0.2876 0.2821 LPE(18:0) 0.2998 0.3159 0.4192 0.2823 0.4977 0.2183 0.2666 0.2828 0.2841 LPE(18:1) 2.0614 2.3171 2.5451 2.1815 3.0863 0.8314 2.1752 2.2147 2.2386 LPE(20:4) 3.1908 3.0796 3.7777 3.0998 3.3997 2.5691 3.5050 3.4394 2.9374 LPE(22:5) 0.1660 0.2672 0.2731 0.2825 0.3183 0.4191 0.2550 0.2901 0.3102 LPE(22:6) 0.2592 0.5694 0.6020 0.3503 0.4056 0.4133 0.5336 0.3907 0.4176 LSM(d14:1) 0.0008 0.0008 0.0007 0.0008 0.0008 0.0008 0.0007 0.0007 0.0007 MG(16:0) 0.1012 0.0785 0.1018 0.1013 0.1242 0.0908 0.0948 0.0803 0.0970 MG(16:1) 0.3016 0.4644 0.3395 0.3290 0.6430 0.1805 0.2799 0.2989 0.2991 MG(18:0) 0.3110 0.2333 0.3253 0.3182 0.3212 0.3083 0.3263 0.2862 0.4055 MG(18:1) 0.7237 1.0432 0.8030 0.5788 0.9091 0.3914 0.7669 0.7634 0.6064 MG(18:2) 0.0945 0.2208 0.1033 0.0721 0.0982 0.1162 0.1048 0.1050 0.1004 PC(13:0_16:1) 0.0011 0.0012 0.0012 0.0010 0.0019 0.0011 0.0009 0.0010 0.0009 PC(13:1_16:1) 0.0001 0.0002 0.0002 0.0001 0.0003 0.0001 0.0001 0.0001 0.0001 PC(14:0_16:0) 0.0078 0.0081 0.0102 0.0059 0.0078 0.0064 0.0065 0.0068 0.0060 PC(15:0_16:0) 0.0009 0.0008 0.0008 0.0006 0.0007 0.0006 0.0008 0.0007 0.0006 PC(15:0_18:1) 0.0033 0.0033 0.0033 0.0023 0.0027 0.0019 0.0033 0.0026 0.0026 PC(15:0_20:5) 0.0012 0.0011 0.0011 0.0008 0.0011 0.0008 0.0011 0.0011 0.0009 PC(15:0_22:5) 0.0006 0.0007 0.0006 0.0007 0.0007 0.0006 0.0008 0.0009 0.0008 PC(15:0_22:6) 0.0002 0.0003 0.0002 0.0002 0.0003 0.0002 0.0002 0.0002 0.0002 PC(15:1_16:1) 0.0007 0.0006 0.0006 0.0005 0.0008 0.0005 0.0006 0.0006 0.0004 PC(16:0_16:0) 0.0163 0.0157 0.0191 0.0114 0.0163 0.0117 0.0139 0.0141 0.0118 PC(16:0_16:1) 0.0664 0.0649 0.0696 0.0495 0.0747 0.0504 0.0591 0.0604 0.0529 PC(16:0_18:0) 0.0028 0.0026 0.0033 0.0017 0.0021 0.0017 0.0024 0.0023 0.0019 PC(16:0_18:1) 0.1460 0.1426 0.1545 0.0879 0.1232 0.0895 0.1275 0.1336 0.1065 PC(16:0_18:3) 0.0006 0.0006 0.0006 0.0004 0.0005 0.0004 0.0005 0.0005 0.0004 PC(16:0_20:4) 0.0088 0.0082 0.0101 0.0052 0.0071 0.0061 0.0116 0.0102 0.0086 PC(16:0_26:7) 0.0002 0.0002 0.0002 0.0001 0.0002 0.0001 0.0001 0.0001 0.0001 PC(16:1_16:1) 0.0072 0.0064 0.0067 0.0056 0.0080 0.0050 0.0061 0.0071 0.0057 PC(17:3_16:0) 0.0002 0.0002 0.0002 0.0001 0.0002 0.0001 0.0002 0.0002 0.0001 PC(17:3_18:0) 0.0004 0.0003 0.0004 0.0002 0.0004 0.0002 0.0002 0.0002 0.0002 PC(17:3_18:1) 0.0025 0.0027 0.0028 0.0015 0.0025 0.0021 0.0024 0.0028 0.0025 PC(18:0_18:1) 0.0296 0.0288 0.0346 0.0169 0.0226 0.0181 0.0253 0.0249 0.0212 PC(18:0_20:4) 0.0109 0.0103 0.0074 0.0061 0.0077 0.0063 0.0105 0.0099 0.0081 PC(18:1_18:1) 0.0800 0.0672 0.0832 0.0419 0.0592 0.0477 0.0672 0.0630 0.0510 PC(18:1_20:1) 0.0055 0.0049 0.0059 0.0031 0.0041 0.0029 0.0042 0.0049 0.0034 PC(18:1_20:4) 0.0082 0.0072 0.0085 0.0046 0.0056 0.0050 0.0088 0.0087 0.0069 PC(18:3_15:0) 0.0001 0.0000 0.0001 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 PC(19:1_18:1) 0.0000 0.0001 0.0000 0.0001 0.0001 0.0000 0.0001 0.0001 0.0001 PC(19:2_15:0) 0.0000 0.0000 0.0001 0.0001 0.0000 0.0001 0.0001 0.0001 0.0001 PC(19:3_18:0) 0.0002 0.0001 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 PC(19:4_18:0) 0.0004 0.0004 0.0005 0.0003 0.0004 0.0003 0.0004 0.0004 0.0003 PC(19:4_18:1) 0.0001 0.0001 0.0001 0.0000 0.0000 0.0001 0.0001 0.0001 0.0001 PC(20:3_16:0) 0.0001 0.0001 0.0001 0.0020 0.0002 0.0001 0.0001 0.0002 0.0001 PC(21:4) 0.0001 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 PC(22:6_18:0) 0.0012 0.0011 0.0013 0.0007 0.0009 0.0006 0.0011 0.0011 0.0010 PC(23:0) 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 PC(23:1) 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 PC(23:3) 0.0000 0.0001 0.0001 0.0000 0.0001 0.0001 0.0000 0.0000 0.0000 PC(23:4) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 PC(28:0) 0.0003 0.0003 0.0003 0.0002 0.0003 0.0002 0.0002 0.0002 0.0002 PC(29:0) 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 PC(30:1) 0.0020 0.0019 0.0023 0.0017 0.0025 0.0015 0.0019 0.0018 0.0016 PC(32:0) 0.0000 0.0000 0.0001 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 PC(32:2) 0.0018 0.0019 0.0022 0.0013 0.0020 0.0012 0.0010 0.0014 0.0008 PC(33:1) 0.0021 0.0018 0.0023 0.0014 0.0019 0.0016 0.0016 0.0017 0.0014 PC(33:2) 0.0006 0.0006 0.0006 0.0004 0.0005 0.0004 0.0005 0.0005 0.0004 PC(33:4) 0.0006 0.0005 0.0005 0.0003 0.0007 0.0005 0.0006 0.0006 0.0006 PC(34:3) 0.0029 0.0025 0.0027 0.0017 0.0023 0.0016 0.0022 0.0019 0.0017 PC(34:4) 0.0003 0.0002 0.0003 0.0002 0.0002 0.0002 0.0003 0.0003 0.0002 PC(35:1) 0.0037 0.0034 0.0044 0.0022 0.0023 0.0021 0.0029 0.0027 0.0023 PC(35:4) 0.0001 0.0001 0.0002 0.0001 0.0001 0.0001 0.0001 0.0002 0.0002 PC(35:6) 0.0003 0.0003 0.0003 0.0002 0.0002 0.0002 0.0003 0.0003 0.0002 PC(36:0) 0.0001 0.0001 0.0001 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 PC(36:6) 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0002 0.0001 PC(37:2) 0.0011 0.0010 0.0012 0.0006 0.0008 0.0006 0.0008 0.0008 0.0007 PC(37:3) 0.0004 0.0004 0.0004 0.0002 0.0003 0.0002 0.0003 0.0003 0.0002 PC(37:5) 0.0006 0.0006 0.0007 0.0004 0.0005 0.0004 0.0005 0.0006 0.0005 PC(37:7) 0.0002 0.0001 0.0002 0.0001 0.0001 0.0001 0.0002 0.0001 0.0001 PC(37:8) 0.0002 0.0002 0.0001 0.0002 0.0002 0.0002 0.0003 0.0003 0.0002 PC(38:1) 0.0008 0.0006 0.0008 0.0004 0.0005 0.0004 0.0007 0.0007 0.0006 PC(38:6) 0.0013 0.0012 0.0012 0.0007 0.0010 0.0006 0.0013 0.0013 0.0011 PC(38:7) 0.0003 0.0003 0.0003 0.0002 0.0002 0.0002 0.0004 0.0004 0.0003 PC(39:2) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 PC(39:4) 0.0003 0.0003 0.0003 0.0002 0.0002 0.0001 0.0002 0.0002 0.0002 PC(40:2) 0.0004 0.0004 0.0004 0.0002 0.0003 0.0002 0.0003 0.0004 0.0003 PC(40:5) 0.0020 0.0017 0.0022 0.0011 0.0014 0.0011 0.0018 0.0017 0.0014 PC(40:6) 0.0014 0.0012 0.0015 0.0009 0.0010 0.0008 0.0013 0.0012 0.0010 PC(40:7) 0.0008 0.0007 0.0009 0.0004 0.0006 0.0004 0.0007 0.0007 0.0006 PC(40:8) 0.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 PC(O-12:0_20:4) 0.0012 0.0010 0.0011 0.0010 0.0010 0.0009 0.0014 0.0010 0.0011 PC(O-13:1_22:6) 0.0007 0.0006 0.0006 0.0004 0.0006 0.0004 0.0007 0.0007 0.0005 PC(O-14:1_20:4) 0.0004 0.0004 0.0003 0.0002 0.0004 0.0003 0.0004 0.0004 0.0004 PC(O-14:1_22:5) 0.0001 0.0001 0.0001 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 PC(O-15:1_16:0) 0.0001 0.0001 0.0001 0.0000 0.0001 0.0001 0.0001 0.0001 0.0000 PC(O-15:1_20:1) 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 PC(O-15:1_20:3) 0.0006 0.0005 0.0007 0.0004 0.0005 0.0004 0.0005 0.0005 0.0005 PC(O-15:1_20:4) 0.0029 0.0036 0.0030 0.0028 0.0038 0.0033 0.0045 0.0045 0.0037 PC(O-15:2_20:4) 0.0042 0.0035 0.0043 0.0028 0.0040 0.0032 0.0040 0.0046 0.0036 PC(O-15:2_22:5) 0.0003 0.0004 0.0004 0.0003 0.0004 0.0003 0.0004 0.0004 0.0003 PC(O-15:2_22:6) 0.0005 0.0005 0.0005 0.0003 0.0004 0.0003 0.0005 0.0005 0.0004 PC(O-16:1_18:1) 0.0029 0.0027 0.0032 0.0019 0.0024 0.0021 0.0030 0.0027 0.0026 PC(O-16:1_20:4) 0.0044 0.0036 0.0043 0.0028 0.0029 0.0031 0.0063 0.0053 0.0049 PC(O-18:1_16:0) 0.0052 0.0051 0.0058 0.0041 0.0048 0.0038 0.0049 0.0047 0.0040 PC(O-18:1_20:4) 0.0026 0.0028 0.0028 0.0021 0.0022 0.0023 0.0034 0.0033 0.0024 PC(O-18:2_20:4) 0.0018 0.0017 0.0019 0.0013 0.0015 0.0014 0.0028 0.0024 0.0020 PC(O-18:3_22:3) 0.0005 0.0005 0.0005 0.0004 0.0004 0.0004 0.0006 0.0005 0.0007 PC(O-20:4_20:4) 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0001 0.0000 0.0001 PC(O-31:1) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 PC(O-32:1) 0.0018 0.0016 0.0018 0.0012 0.0014 0.0015 0.0020 0.0017 0.0017 PC(O-32:2) 0.0015 0.0013 0.0016 0.0014 0.0018 0.0012 0.0016 0.0012 0.0014 PC(O-32:5) 0.0003 0.0002 0.0002 0.0002 0.0002 0.0002 0.0003 0.0002 0.0002 PC(O-34:0) 0.0005 0.0004 0.0006 0.0004 0.0004 0.0004 0.0004 0.0004 0.0004 PC(O-34:2) 0.0010 0.0010 0.0011 0.0009 0.0010 0.0008 0.0008 0.0009 0.0006 PC(O-34:3) 0.0008 0.0004 0.0004 0.0004 0.0005 0.0003 0.0004 0.0003 0.0003 PC(O-34:4) 0.0003 0.0003 0.0003 0.0002 0.0002 0.0002 0.0004 0.0003 0.0003 PC(O-34:5) 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0002 0.0001 0.0001 PC(O-35:5) 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 PC(O-35:8) 0.0005 0.0005 0.0005 0.0004 0.0005 0.0004 0.0006 0.0006 0.0005 PC(O-36:2) 0.0013 0.0011 0.0012 0.0011 0.0011 0.0009 0.0011 0.0011 0.0009 PC(O-36:4) 0.0010 0.0009 0.0011 0.0006 0.0008 0.0006 0.0011 0.0010 0.0009 PC(O-36:6) 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0002 0.0002 0.0002 PC(O-37:5) 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0001 0.0001 0.0001 PC(O-37:8) 0.0007 0.0007 0.0008 0.0005 0.0007 0.0004 0.0008 0.0006 0.0007 PC(O-37:9) 0.0012 0.0011 0.0013 0.0008 0.0010 0.0009 0.0012 0.0013 0.0010 PC(O-38:1) 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 PC(O-38:4) 0.0016 0.0014 0.0017 0.0011 0.0013 0.0010 0.0016 0.0016 0.0013 PC(O-38:6) 0.0001 0.0001 0.0001 0.0000 0.0000 0.0000 0.0001 0.0001 0.0001 PC(O-39:10) 0.0067 0.0060 0.0070 0.0038 0.0050 0.0039 0.0061 0.0059 0.0052 PC(O-39:3) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 PC(O-39:7) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 PC(O-39:8) 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 PC(P-37:6) 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 PC(P-37:9) 0.0031 0.0033 0.0030 0.0020 0.0032 0.0022 0.0030 0.0028 0.0023 PC(P-38:10) 0.0021 0.0019 0.0020 0.0013 0.0019 0.0015 0.0024 0.0023 0.0019 PE(16:0_16:1) 0.1398 0.1653 0.1338 0.1375 0.2440 0.1239 0.1108 0.1133 0.1111 PE(16:0_18:1) 0.2621 0.2931 0.2624 0.2218 0.3800 0.2053 0.2271 0.2160 0.1924 PE(16:0_22:4) 0.0389 0.0396 0.0439 0.0335 0.0455 0.0321 0.0364 0.0339 0.0285 PE(16:1_16:1) 0.0156 0.0186 0.0152 0.0163 0.0326 0.0150 0.0119 0.0123 0.0115 PE(18:0_18:1) 0.2318 0.2151 0.2582 0.1858 0.2695 0.1803 0.1936 0.1873 0.1686 PE(18:0_20:1) 0.0133 0.0167 0.0162 0.0120 0.0161 0.0117 0.0142 0.0135 0.0115 PE(18:1_18:1) 2.3538 2.4995 2.4153 2.0067 2.2840 1.7000 2.7086 2.4561 2.1514 PE(18:1_22:6) 0.0184 0.0171 0.0216 0.0113 0.0173 0.0119 0.0194 0.0156 0.0123 PE(19:4_15:0) 0.0211 0.0248 0.0190 0.0214 0.0388 0.0200 0.0183 0.0170 0.0177 PE(20:3_18:0) 0.0793 0.0801 0.1024 0.0543 0.0506 0.0534 0.0265 0.0588 0.0503 PE(20:4_18:1) 0.2371 0.2405 0.2200 0.2009 0.2733 0.1981 0.2666 0.2608 0.2298 PE(22:5_18:1) 0.0347 0.0384 0.0364 0.0233 0.0362 0.0201 0.0286 0.0151 0.0257 PE(22:6_16:0) 0.0386 0.0377 0.0360 0.0218 0.0322 0.0224 0.0365 0.0339 0.0298 PE(O-16:1_18:4) 0.0081 0.0087 0.0084 0.0099 0.0181 0.0094 0.0086 0.0080 0.0057 PE(O-16:1_20:3) 0.0520 0.0319 0.0589 0.0426 0.0761 0.0458 0.0236 0.0445 0.0404 PE(O-18:1_22:3) 0.0157 0.0164 0.0209 0.0117 0.0191 0.0125 0.0147 0.0130 0.0105 PE(P-16:0_18:1) 0.1916 0.2009 0.1954 0.1843 0.2790 0.1730 0.1899 0.1851 0.1632 PE(P-16:0_20:4) 0.4259 0.4586 0.4584 0.3896 0.5585 0.3898 0.5613 0.4938 0.4346 PE(P-18:1_18:1) 0.1139 0.0907 0.1195 0.0941 0.1161 0.0752 0.1083 0.1076 0.0827 PE(P-18:3_18:1) 0.0381 0.0298 0.0434 0.0339 0.0373 0.0319 0.0386 0.0307 0.0272 PI(16:0_18:1) 0.1278 0.1193 0.1303 0.0962 0.1637 0.0904 0.0905 0.0991 0.0902 PI(16:1_18:1) 0.4813 0.4237 0.4729 0.3702 0.3941 0.3512 0.4260 0.4221 0.3964 PI(18:0_20:4) 0.9027 0.8924 0.9970 0.5776 0.6361 0.5494 0.8325 0.7256 0.6845 PI(18:1_18:1) 0.2626 0.2539 0.2886 0.1739 0.2261 0.1399 0.1961 0.1933 0.1675 PI(18:1_20:4) 0.1793 0.1775 0.2145 0.1372 0.1599 0.1047 0.1567 0.1475 0.1406 PI(18:2_18:1) 0.0432 0.0316 0.0340 0.0197 0.0410 0.0195 0.0177 0.0172 0.0191 PI(20:4_16:0) 0.0529 0.0906 0.0625 0.0873 0.0914 0.0653 0.0755 0.0413 0.0602 PI(22:3_18:0) 0.0198 0.0178 0.0254 0.0112 0.0144 0.0076 0.0097 0.0077 0.0085 PS(18:0_18:1) 0.4524 0.4835 0.4660 0.3890 0.4887 0.3751 0.4121 0.4526 0.3432 PS(18:0_22:4) 0.0877 0.0799 0.0885 0.0712 0.1076 0.0613 0.0979 0.0841 0.0685 SM(d18:1_16:0) 0.2356 0.2353 0.2518 0.2220 0.2640 0.2055 0.2179 0.2280 0.1919 SM(d18:1_24:0) 0.0121 0.0113 0.0137 0.0121 0.0162 0.0126 0.0165 0.0130 0.0121 SM(d18:1_24:1) 0.0587 0.0495 0.0684 0.0585 0.0786 0.0547 0.0597 0.0578 0.0482 SM(d18:1_26:4) 0.0046 0.0041 0.0052 0.0050 0.0055 0.0047 0.0057 0.0052 0.0039 SM(d20:0_12:1) 0.0032 0.0027 0.0035 0.0028 0.0035 0.0025 0.0028 0.0024 0.0023 SM(d33:1) 0.0027 0.0024 0.0030 0.0022 0.0027 0.0019 0.0027 0.0026 0.0020 SM(d34:0) 0.0040 0.0033 0.0047 0.0037 0.0049 0.0035 0.0056 0.0051 0.0041 SM(d34:2) 0.0043 0.0038 0.0047 0.0047 0.0056 0.0034 0.0049 0.0036 0.0030 SM(d36:1) 0.0121 0.0111 0.0130 0.0097 0.0128 0.0097 0.0121 0.0125 0.0097 SM(d36:2) 0.0032 0.0033 0.0036 0.0022 0.0032 0.0023 0.0032 0.0031 0.0026 SM(d36:3) 0.0002 0.0002 0.0003 0.0003 0.0003 0.0002 0.0003 0.0003 0.0002 SM(d36:4) 0.0035 0.0036 0.0038 0.0036 0.0050 0.0033 0.0044 0.0035 0.0032 SM(d38:1) 0.0041 0.0038 0.0048 0.0038 0.0048 0.0037 0.0045 0.0045 0.0035 SM(d38:2) 0.0134 0.0132 0.0138 0.0169 0.0155 0.0149 0.0154 0.0133 0.0134 SM(d40:1) 0.0136 0.0116 0.0151 0.0123 0.0171 0.0129 0.0143 0.0138 0.0118 SM(d41:1) 0.0026 0.0023 0.0026 0.0023 0.0031 0.0024 0.0028 0.0025 0.0024 SM(d42:3) 0.0188 0.0160 0.0208 0.0167 0.0225 0.0172 0.0179 0.0193 0.0138 SPH(d14:1) 0.0004 0.0004 0.0003 0.0005 0.0002 0.0005 0.0003 0.0004 0.0003 SPH(d14:2) 0.0017 0.0014 0.0023 0.0018 0.0035 0.0012 0.0046 0.0014 0.0033 SPH(d16:0) 0.0055 0.0056 0.0059 0.0058 0.0056 0.0051 0.0049 0.0105 0.0078 SPH(d16:1) 0.0009 0.0003 0.0004 0.0015 0.0004 0.0006 0.0004 0.0011 0.0007 SPH(d17:0) 0.0010 0.0006 0.0008 0.0006 0.0010 0.0019 0.0007 0.0004 0.0022 SPH(d18:0) 0.0008 0.0003 0.0004 0.0003 0.0003 0.0003 0.0005 0.0007 0.0005 SPH(d18:1) 0.0003 0.0003 0.0003 0.0005 0.0003 0.0004 0.0004 0.0004 0.0004 SPH(d18:2) 0.0006 0.0022 0.0009 0.0012 0.0005 0.0009 0.0010 0.0007 0.0003 SPH(d19:0) 0.0002 0.0001 0.0002 0.0002 0.0002 0.0001 0.0002 0.0002 0.0002 SPH(d20:0) 0.0049 0.0002 0.0004 0.0004 0.0004 0.0001 0.0029 0.0061 0.0023 TG(12:0_16:0_16:1) 0.0081 0.0086 0.0086 0.0102 0.0286 0.0114 0.0096 0.0082 0.0087 TG(12:1_14:1_18:1) 0.0018 0.0017 0.0020 0.0020 0.0064 0.0024 0.0023 0.0018 0.0021 TG(14:0_14:0_16:0) 0.0043 0.0032 0.0039 0.0042 0.0093 0.0047 0.0043 0.0037 0.0040 TG(14:0_16:0_16:0) 0.0075 0.0063 0.0067 0.0099 0.0166 0.0085 0.0073 0.0069 0.0073 TG(14:0_16:0_16:1) 0.0392 0.0459 0.0417 0.0528 0.1509 0.0600 0.0459 0.0402 0.0461 TG(14:0_16:0_22:6) 0.0041 0.0035 0.0044 0.0040 0.0116 0.0053 0.0060 0.0047 0.0055 TG(14:0_16:1_20:4) 0.0017 0.0017 0.0019 0.0015 0.0055 0.0025 0.0026 0.0017 0.0026 TG(14:1_16:1_16:1) 0.0058 0.0053 0.0061 0.0068 0.0197 0.0078 0.0069 0.0056 0.0070 TG(14:1_16:1_18:1) 0.0558 0.0525 0.0564 0.0625 0.2164 0.0771 0.0673 0.0514 0.0569 TG(15:0_16:0_16:1) 0.0053 0.0034 0.0037 0.0042 0.0084 0.0052 0.0041 0.0039 0.0048 TG(15:0_16:0_18:1) 0.0070 0.0057 0.0067 0.0063 0.0143 0.0080 0.0078 0.0067 0.0070 TG(16:0_12:1_16:1) 0.0066 0.0066 0.0067 0.0078 0.0221 0.0089 0.0073 0.0061 0.0069 TG(16:0_14:1_16:1) 0.0365 0.0370 0.0405 0.0498 0.1510 0.0571 0.0442 0.0347 0.0388 TG(16:0_16:0_16:1) 0.1210 0.1396 0.1223 0.1614 0.3962 0.1744 0.1340 0.1253 0.1299 TG(16:0_16:0_18:0) 0.0071 0.0047 0.0072 0.0050 0.0117 0.0063 0.0083 0.0062 0.0041 TG(16:0_16:0_18:1) 0.1555 0.1593 0.1673 0.1515 0.3911 0.1827 0.1797 0.1490 0.1763 TG(16:0_16:1_16:1) 0.2156 0.2519 0.2247 0.2941 0.8344 0.3126 0.2476 0.2227 0.2349 TG(16:0_16:1_18:1) 0.3456 0.3956 0.3901 0.4326 1.0453 0.4483 0.4313 0.4100 0.4081 TG(16:0_16:1_20:4) 0.0118 0.0133 0.0125 0.0093 0.0338 0.0132 0.0129 0.0123 0.0151 TG(16:0_16:1_22:6) 0.0061 0.0055 0.0065 0.0058 0.0150 0.0068 0.0078 0.0069 0.0076 TG(16:0_18:0_18:0) 0.0015 0.0008 0.0013 0.0008 0.0017 0.0012 0.0018 0.0013 0.0008 TG(16:0_18:0_18:1) 0.0407 0.0372 0.0469 0.0311 0.0754 0.0376 0.0601 0.0481 0.0437 TG(16:0_18:0_19:1) 0.0017 0.0013 0.0016 0.0011 0.0019 0.0011 0.0022 0.0019 0.0018 TG(16:0_18:1_18:1) 0.2994 0.3086 0.3471 0.2591 0.6709 0.3265 0.3946 0.3316 0.3737 TG(16:0_18:1_22:3) 0.0198 0.0162 0.0214 0.0138 0.0262 0.0156 0.0219 0.0190 0.0183 TG(16:0_18:1_22:4) 0.0205 0.0200 0.0277 0.0157 0.0318 0.0204 0.0325 0.0221 0.0240 TG(16:0_20:1_22:1) 0.0020 0.0016 0.0022 0.0013 0.0027 0.0016 0.0024 0.0020 0.0020 TG(16:0_22:0_18:1) 0.0010 0.0007 0.0010 0.0007 0.0015 0.0009 0.0012 0.0010 0.0009 TG(16:0_24:0_18:1) 0.0004 0.0003 0.0004 0.0004 0.0007 0.0004 0.0005 0.0004 0.0004 TG(16:0_26:0_18:1) 0.0002 0.0001 0.0002 0.0001 0.0002 0.0001 0.0002 0.0001 0.0001 TG(16:1_16:1_18:1) 0.1288 0.1459 0.1347 0.1534 0.4141 0.1959 0.1726 0.1526 0.1573 TG(16:1_16:1_18:2) 0.0132 0.0125 0.0123 0.0123 0.0370 0.0161 0.0142 0.0134 0.0154 TG(16:1_16:1_22:6) 0.0015 0.0013 0.0016 0.0012 0.0032 0.0016 0.0024 0.0015 0.0021 TG(16:1_18:1_18:1) 0.1858 0.1544 0.1838 0.1460 0.3118 0.1837 0.2069 0.2045 0.1861 TG(16:1_18:1_18:2) 0.0316 0.0275 0.0348 0.0304 0.0725 0.0383 0.0339 0.0354 0.0363 TG(16:1_18:1_20:1) 0.1487 0.1356 0.1572 0.1119 0.1845 0.1425 0.2026 0.1686 0.1644 TG(16:1_18:1_20:3) 0.0108 0.0239 0.0129 0.0102 0.0258 0.0271 0.0138 0.0126 0.0133 TG(16:1_18:1_22:6) 0.0034 0.0029 0.0036 0.0023 0.0054 0.0029 0.0050 0.0045 0.0041 TG(17:0_16:1_18:1) 0.0161 0.0151 0.0151 0.0109 0.0248 0.0144 0.0175 0.0155 0.0157 TG(18:0_18:0_18:1) 0.0081 0.0050 0.0069 0.0040 0.0083 0.0061 0.0084 0.0067 0.0069 TG(18:0_18:1_18:1) 0.0622 0.0528 0.0685 0.0452 0.0799 0.0521 0.0900 0.0731 0.0652 TG(18:0_18:1_19:1) 0.0024 0.0014 0.0025 0.0012 0.0024 0.0013 0.0030 0.0024 0.0025 TG(18:0_18:1_20:1) 0.0075 0.0057 0.0079 0.0047 0.0090 0.0059 0.0094 0.0076 0.0074 TG(18:0_18:1_26:1) 0.0002 0.0002 0.0002 0.0001 0.0002 0.0001 0.0002 0.0002 0.0002 TG(18:1_18:1_20:1) 0.0248 0.0216 0.0288 0.0187 0.0315 0.0203 0.0319 0.0275 0.0247 TG(18:1_18:1_22:3) 0.0085 0.0075 0.0106 0.0059 0.0112 0.0073 0.0096 0.0082 0.0079 TG(18:1_18:1_22:4) 0.0097 0.0094 0.0115 0.0071 0.0117 0.0092 0.0139 0.0103 0.0100 TG(18:1_18:1_26:1) 0.0006 0.0005 0.0007 0.0004 0.0006 0.0004 0.0005 0.0005 0.0005 TG(18:1_19:1_20:1) 0.0010 0.0008 0.0011 0.0006 0.0010 0.0007 0.0010 0.0009 0.0008 TG(18:1_20:1_20:1) 0.0054 0.0040 0.0055 0.0034 0.0055 0.0039 0.0060 0.0049 0.0045 TG(18:1_20:1_20:2) 0.0054 0.0045 0.0061 0.0038 0.0062 0.0042 0.0057 0.0047 0.0042 TG(18:1_20:1_22:1) 0.0020 0.0016 0.0023 0.0011 0.0020 0.0013 0.0020 0.0017 0.0018 TG(18:1_20:1_22:2) 0.0013 0.0009 0.0014 0.0008 0.0012 0.0009 0.0013 0.0010 0.0010 TG(18:1_20:1_22:3) 0.0019 0.0019 0.0023 0.0014 0.0024 0.0015 0.0021 0.0017 0.0015 TG(18:1_20:1_26:1) 0.0001 0.0001 0.0001 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 TG(2:0_16:0_16:1) 0.0011 0.0014 0.0012 0.0017 0.0075 0.0019 0.0007 0.0005 0.0007 TG(24:0_18:1_18:1) 0.0010 0.0007 0.0011 0.0006 0.0010 0.0007 0.0009 0.0008 0.0008 TG(4:0_14:0_16:0) 0.0006 0.0007 0.0007 0.0007 0.0029 0.0010 0.0004 0.0003 0.0004 TG(4:0_16:0_16:0) 0.0012 0.0015 0.0012 0.0015 0.0067 0.0018 0.0007 0.0005 0.0007 TG(4:0_16:0_16:1) 0.0080 0.0110 0.0087 0.0138 0.0602 0.0143 0.0048 0.0041 0.0049 TG(4:0_16:0_18:1) 0.0054 0.0092 0.0060 0.0073 0.0325 0.0090 0.0037 0.0036 0.0033 TG(4:0_16:1_16:1) 0.0020 0.0027 0.0021 0.0034 0.0148 0.0037 0.0013 0.0011 0.0012 TG(4:0_16:1_18:1) 0.0023 0.0030 0.0020 0.0029 0.0161 0.0040 0.0014 0.0014 0.0015 TG(5:0_16:0_16:1) 0.0008 0.0010 0.0008 0.0012 0.0046 0.0012 0.0005 0.0004 0.0006 TG(6:0_16:1_18:1) 0.0020 0.0020 0.0021 0.0025 0.0086 0.0026 0.0020 0.0014 0.0019 TG(8:0_16:0_16:0) 0.0009 0.0008 0.0009 0.0010 0.0022 0.0010 0.0009 0.0007 0.0010 TG(8:0_16:0_16:1) 0.0037 0.0038 0.0032 0.0047 0.0167 0.0048 0.0032 0.0024 0.0030 TG(8:0_16:0_18:1) 0.0039 0.0036 0.0037 0.0042 0.0117 0.0045 0.0038 0.0031 0.0041 TG(8:0_16:1_18:1) 0.0038 0.0032 0.0036 0.0040 0.0136 0.0040 0.0034 0.0028 0.0030 TG(9:0_16:0_16:1) 0.0015 0.0017 0.0018 0.0019 0.0059 0.0021 0.0020 0.0016 0.0021 TG(O-11:0_14:0_3:0) 0.0005 0.0004 0.0006 0.0004 0.0009 0.0006 0.0003 0.0005 0.0005 TG(O-12:1_4:0_16:1) 0.0134 0.0165 0.0129 0.0155 0.0551 0.0165 0.0141 0.0128 0.0136 TG(O-12:1_6:0_18:1) 0.0215 0.0210 0.0225 0.0145 0.0348 0.0164 0.0235 0.0225 0.0213 TG(O-13:0_16:0_3:0) 0.0053 0.0049 0.0051 0.0046 0.0116 0.0053 0.0044 0.0043 0.0041 TG(O-13:0_5:0_20:3) 0.0013 0.0011 0.0014 0.0009 0.0016 0.0009 0.0013 0.0012 0.0011 TG(O-15:0_18:0_3:0) 0.0021 0.0011 0.0020 0.0017 0.0026 0.0021 0.0019 0.0015 0.0018 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant Cer(d18:1_16:0) 538.5194 Cer(d18:1_17:0) 552.535 Cer(d18:1_18:0) 566.5507 Cer(d18:1_20:0) 594.582 Cer(d18:1_21:0) 608.5976 Cer(d18:1_22:0) 622.6133 Cer(d18:1_22:1) 620.5976 Cer(d18:1_23:0) 636.6289 Cer(d18:1_23:1) 634.6133 Cer(d18:1_24:0) 650.6446 Cer(d18:1_24:1) 648.6289 Cer(d18:2_16:0) 536.5037 Cer(d18:2_18:0) 564.535 Cer(d18:2_24:1) 646.6133 Cer(d19:1_24:0) 664.6602 Cer(d20:1_24:0) 678.6759 Cer(d20:1_24:1) 676.6602 Ch 369.3516 ChE(18:1) 668.634 ChE(18:2) 666.6184 ChE(19:2) 680.634 ChE(20:3) 692.634 ChE(20:4) 690.6184 ChE(22:3) 720.6653 ChE(22:4) 718.6497 ChE(22:5) 716.634 ChE(22:6) 714.6184 ChE(24:3) 748.6966 ChE(24:4) 746.681 ChE(24:5) 744.6653 DG(12:0_14:0) 502.4466 DG(14:0_16:0) 558.5092 DG(14:0_16:1) 556.4936 DG(14:1_16:1) 554.4779 DG(16:0_16:1) 584.5249 DG(16:0_18:0) 614.5718 DG(16:0_18:1) 612.5562 DG(16:0_19:1) 626.5718 DG(16:0_20:4) 634.5405 DG(16:0_22:6) 658.5405 DG(16:1_16:1) 582.5092 DG(16:1_16:2) 580.4936 DG(16:1_17:1) 596.5249 DG(16:1_18:1) 610.5405 DG(16:1_19:1) 624.5562 DG(16:1_20:4) 632.5249 DG(16:1_22:6) 656.5249 DG(18:0_18:1) 640.5875 DG(18:0_20:0) 670.6344 DG(18:0_20:3) 664.5875 DG(18:0_20:4) 662.5718 DG(18:0_22:4) 690.6031 DG(18:1_16:2) 608.5249 DG(18:1_18:2) 636.5562 DG(18:1_20:1) 666.6031 DG(18:1_20:4) 660.5562 DG(18:1_22:1) 694.6344 DG(18:1_22:2) 692.6188 DG(18:1_22:4) 688.5875 DG(18:1_22:5) 686.5718 DG(4:0_16:1) 416.3371 DG(4:0_18:1) 444.3684 Hex1Cer(d18:1_24:0) 812.6974 Hex2Cer(d18:1_16:0) 862.625 Hex2Cer(d18:1_22:0) 946.7189 Hex3Cer(d18:1_16:0) 1024.6778 Hex3Cer(d18:1_24:0) 1136.803 LPC(15:0) 482.3241 LPC(16:0) 496.3398 LPC(18:0) 524.3711 LPC(18:1) 522.3554 LPC(20:4) 544.3398 LPE(15:0) 440.2772 LPE(16:0) 454.2928 LPE(18:0) 482.3241 LPE(18:1) 480.3085 LPE(20:4) 502.2928 LPE(22:5) 528.3085 LPE(22:6) 526.2928 LSM(d14:1) 409.2826 MG(16:0) 331.2843 MG(16:1) 329.2686 MG(18:0) 376.3421 MG(18:1) 374.3265 MG(18:2) 372.3108 PC(13:0_16:1) 690.5068 PC(13:1_16:1) 688.4912 PC(14:0_16:0) 706.5381 PC(15:0_16:0) 720.5538 PC(15:0_18:1) 746.5694 PC(15:0_20:5) 766.5381 PC(15:0_22:5) 794.5694 PC(15:0_22:6) 792.5538 PC(15:1_16:1) 716.5225 PC(16:0_16:0) 734.5694 PC(16:0_16:1) 732.5538 PC(16:0_18:0) 762.6007 PC(16:0_18:1) 760.5851 PC(16:0_18:3) 756.5538 PC(16:0_20:4) 782.5694 PC(16:0_26:7) 860.6164 PC(16:1_16:1) 730.5381 PC(17:3_16:0) 742.5381 PC(17:3_18:0) 770.5694 PC(17:3_18:1) 768.5538 PC(18:0_18:1) 788.6164 PC(18:0_20:4) 810.6007 PC(18:1_18:1) 786.6007 PC(18:1_20:1) 814.632 PC(18:1_20:4) 808.5851 PC(18:3_15:0) 742.5381 PC(19:1_18:1) 800.6164 PC(19:2_15:0) 758.5694 PC(19:3_18:0) 798.6007 PC(19:4_18:0) 796.5851 PC(19:4_18:1) 794.5694 PC(20:3_16:0) 784.5851 PC(21:4) 572.3347 PC(22:6_18:0) 834.6007 PC(23:0) 608.4286 PC(23:1) 606.4129 PC(23:3) 602.3816 PC(23:4) 600.366 PC(28:0) 678.5068 PC(29:0) 692.5225 PC(30:1) 704.5225 PC(32:0) 734.5694 PC(32:2) 730.5381 PC(33:1) 746.5694 PC(33:2) 744.5538 PC(33:4) 740.5225 PC(34:3) 756.5538 PC(34:4) 754.5381 PC(35:1) 774.6007 PC(35:4) 768.5538 PC(35:6) 764.5225 PC(36:0) 790.632 PC(36:6) 778.5381 PC(37:2) 800.6164 PC(37:3) 798.6007 PC(37:5) 794.5694 PC(37:7) 790.5381 PC(37:8) 788.5225 PC(38:1) 816.6477 PC(38:6) 806.5694 PC(38:7) 804.5538 PC(39:2) 828.6477 PC(39:4) 824.6164 PC(40:2) 842.6633 PC(40:5) 836.6164 PC(40:6) 834.6007 PC(40:7) 832.5851 PC(40:8) 830.5694 PC(O-12:0_20:4) 712.5276 PC(O-13:1_22:6) 748.5276 PC(O-14:1_20:4) 738.5432 PC(O-14:1_22:5) 764.5589 PC(O-15:1_16:0) 704.5589 PC(O-15:1_20:1) 758.6058 PC(O-15:1_20:3) 754.5745 PC(O-15:1_20:4) 752.5589 PC(O-15:2_20:4) 750.5432 PC(O-15:2_22:5) 776.5589 PC(O-15:2_22:6) 774.5432 PC(O-16:1_18:1) 744.5902 PC(O-16:1_20:4) 766.5745 PC(O-18:1_16:0) 746.6058 PC(O-18:1_20:4) 794.6058 PC(O-18:2_20:4) 792.5902 PC(O-18:3_22:3) 820.6215 PC(O-20:4_20:4) 816.5902 PC(O-31:1) 704.5589 PC(O-32:1) 718.5745 PC(O-32:2) 716.5589 PC(O-32:5) 710.5119 PC(O-34:0) 748.6215 PC(O-34:2) 744.5902 PC(O-34:3) 742.5745 PC(O-34:4) 740.5589 PC(O-34:5) 738.5432 PC(O-35:5) 752.5589 PC(O-35:8) 746.5119 PC(O-36:2) 772.6215 PC(O-36:4) 768.5902 PC(O-36:6) 764.5589 PC(O-37:5) 780.5902 PC(O-37:8) 774.5432 PC(O-37:9) 772.5276 PC(O-38:1) 802.6684 PC(O-38:4) 796.6215 PC(O-38:6) 792.5902 PC(O-39:10) 798.5432 PC(O-39:3) 812.6528 PC(O-39:7) 804.5902 PC(O-39:8) 802.5745 PC(P-37:6) 776.5589 PC(P-37:9) 770.5119 PC(P-38:10) 782.5119 PE(16:0_16:1) 690.5068 PE(16:0_18:1) 718.5381 PE(16:0_22:4) 768.5538 PE(16:1_16:1) 688.4912 PE(18:0_18:1) 746.5694 PE(18:0_20:1) 774.6007 PE(18:1_18:1) 744.5538 PE(18:1_22:6) 790.5381 PE(19:4_15:0) 712.4912 PE(20:3_18:0) 770.5694 PE(20:4_18:1) 766.5381 PE(22:5_18:1) 792.5538 PE(22:6_16:0) 764.5225 PE(O-16:1_18:4) 696.4963 PE(O-16:1_20:3) 726.5432 PE(O-18:1_22:3) 782.6058 PE(P-16:0_18:1) 702.5432 PE(P-16:0_20:4) 724.5276 PE(P-18:1_18:1) 728.5589 PE(P-18:3_18:1) 724.5276 PI(16:0_18:1) 854.5753 PI(16:1_18:1) 852.5597 PI(18:0_20:4) 904.591 PI(18:1_18:1) 880.591 PI(18:1_20:4) 902.5753 PI(18:2_18:1) 878.5753 PI(20:4_16:0) 876.5597 PI(22:3_18:0) 934.6379 PS(18:0_18:1) 790.5593 PS(18:0_22:4) 840.5749 SM(d18:1_16:0) 703.5749 SM(d18:1_24:0) 815.7001 SM(d18:1_24:1) 813.6844 SM(d18:1_26:4) 835.6688 SM(d20:0_12:1) 675.5436 SM(d33:1) 689.5592 SM(d34:0) 705.5905 SM(d34:2) 701.5592 SM(d36:1) 731.6062 SM(d36:2) 729.5905 SM(d36:3) 727.5749 SM(d36:4) 725.5592 SM(d38:1) 759.6375 SM(d38:2) 757.6218 SM(d40:1) 787.6688 SM(d41:1) 801.6844 SM(d42:3) 811.6688 SPH(d14:1) 244.2271 SPH(d14:2) 242.2115 SPH(d16:0) 274.2741 SPH(d16:1) 272.2584 SPH(d17:0) 288.2897 SPH(d18:0) 302.3054 SPH(d18:1) 300.2897 SPH(d18:2) 298.2741 SPH(d19:0) 316.321 SPH(d20:0) 330.3367 TG(12:0_16:0_16:1) 766.6919 TG(12:1_14:1_18:1) 762.6606 TG(14:0_14:0_16:0) 768.7076 TG(14:0_16:0_16:0) 796.7389 TG(14:0_16:0_16:1) 794.7232 TG(14:0_16:0_22:6) 868.7389 TG(14:0_16:1_20:4) 842.7232 TG(14:1_16:1_16:1) 790.6919 TG(14:1_16:1_18:1) 818.7232 TG(15:0_16:0_16:1) 808.7389 TG(15:0_16:0_18:1) 836.7702 TG(16:0_12:1_16:1) 764.6763 TG(16:0_14:1_16:1) 792.7076 TG(16:0_16:0_16:1) 822.7545 TG(16:0_16:0_18:0) 852.8015 TG(16:0_16:0_18:1) 850.7858 TG(16:0_16:1_16:1) 820.7389 TG(16:0_16:1_18:1) 848.7702 TG(16:0_16:1_20:4) 870.7545 TG(16:0_16:1_22:6) 894.7545 TG(16:0_18:0_18:0) 880.8328 TG(16:0_18:0_18:1) 878.8171 TG(16:0_18:0_19:1) 892.8328 TG(16:0_18:1_18:1) 876.8015 TG(16:0_18:1_22:3) 928.8328 TG(16:0_18:1_22:4) 926.8171 TG(16:0_20:1_22:1) 960.8954 TG(16:0_22:0_18:1) 934.8797 TG(16:0_24:0_18:1) 962.911 TG(16:0_26:0_18:1) 990.9423 TG(16:1_16:1_18:1) 846.7545 TG(16:1_16:1_18:2) 844.7389 TG(16:1_16:1_22:6) 892.7389 TG(16:1_18:1_18:1) 874.7858 TG(16:1_18:1_18:2) 872.7702 TG(16:1_18:1_20:1) 902.8171 TG(16:1_18:1_20:3) 898.7858 TG(16:1_18:1_22:6) 920.7702 TG(17:0_16:1_18:1) 862.7858 TG(18:0_18:0_18:1) 906.8484 TG(18:0_18:1_18:1) 904.8328 TG(18:0_18:1_19:1) 918.8484 TG(18:0_18:1_20:1) 932.8641 TG(18:0_18:1_26:1) 1016.958 TG(18:1_18:1_20:1) 930.8484 TG(18:1_18:1_22:3) 954.8484 TG(18:1_18:1_22:4) 952.8328 TG(18:1_18:1_26:1) 1014.9423 TG(18:1_19:1_20:1) 944.8641 TG(18:1_20:1_20:1) 958.8797 TG(18:1_20:1_20:2) 956.8641 TG(18:1_20:1_22:1) 986.911 TG(18:1_20:1_22:2) 984.8954 TG(18:1_20:1_22:3) 982.8797 TG(18:1_20:1_26:1) 1042.9736 TG(2:0_16:0_16:1) 626.5354 TG(24:0_18:1_18:1) 988.9267 TG(4:0_14:0_16:0) 628.5511 TG(4:0_16:0_16:0) 656.5824 TG(4:0_16:0_16:1) 654.5667 TG(4:0_16:0_18:1) 682.598 TG(4:0_16:1_16:1) 652.5511 TG(4:0_16:1_18:1) 680.5824 TG(5:0_16:0_16:1) 668.5824 TG(6:0_16:1_18:1) 708.6137 TG(8:0_16:0_16:0) 712.645 TG(8:0_16:0_16:1) 710.6293 TG(8:0_16:0_18:1) 738.6606 TG(8:0_16:1_18:1) 736.645 TG(9:0_16:0_16:1) 724.645 TG(O-11:0_14:0_3:0) 530.4779 TG(O-12:1_4:0_16:1) 582.5092 TG(O-12:1_6:0_18:1) 638.5718 TG(O-13:0_16:0_3:0) 586.5405 TG(O-13:0_5:0_20:3) 664.5875 TG(O-15:0_18:0_3:0) 642.6031 METABOLITES_END #END