#METABOLOMICS WORKBENCH xliu68_20240206_122741 DATATRACK_ID:4628 STUDY_ID:ST003077 ANALYSIS_ID:AN005035 PROJECT_ID:PR001916 VERSION 1 CREATED_ON February 16, 2024, 9:44 am #PROJECT PR:PROJECT_TITLE Data-dependent and -independent acquisition lipidomics analysis reveals the PR:PROJECT_TITLE tissue-dependent effect of metformin on lipid metabolism PR:PROJECT_SUMMARY Lipidomics analysis of 6 mouse tissues and plasma using MS/MS combining BRI-DIA PR:PROJECT_SUMMARY and DDA allowed a systemic evaluation of lipidomic changes induced by metformin PR:PROJECT_SUMMARY in different tissues. We observed that 1) the degrees of lipidomic changes PR:PROJECT_SUMMARY induced by metformin treatment overly correlated with tissue concentrations of PR:PROJECT_SUMMARY metformin; 2) the impact on lysoPC and cardiolipins was positively correlated PR:PROJECT_SUMMARY with tissue concentrations of metformin, while neutral lipids such as PR:PROJECT_SUMMARY triglycerides did not correlate with the corresponding tissue metformin PR:PROJECT_SUMMARY concentrations. PR:INSTITUTE North Carolina State University PR:LAST_NAME Liu PR:FIRST_NAME Xiaojing PR:ADDRESS 128 Polk Hall, 120 W Broughton Dr. PR:EMAIL xliu68@ncsu.edu PR:PHONE 919.515.4387 #STUDY ST:STUDY_TITLE Data-dependent and -independent acquisition lipidomics analysis reveals the ST:STUDY_TITLE tissue-dependent effect of metformin on lipid metabolism (Adipose tissue ST:STUDY_TITLE measurements) ST:STUDY_SUMMARY Lipidomics analysis of 6 mouse tissues and plasma using MS/MS combining BRI-DIA ST:STUDY_SUMMARY and DDA allowed a systemic evaluation of lipidomic changes induced by metformin ST:STUDY_SUMMARY in different tissues. We observed that 1) the degrees of lipidomic changes ST:STUDY_SUMMARY induced by metformin treatment overly correlated with tissue concentrations of ST:STUDY_SUMMARY metformin; 2) the impact on lysophosphorylcholine and cardiolipins was ST:STUDY_SUMMARY positively correlated with tissue concentrations of metformin, while neutral ST:STUDY_SUMMARY lipids such as triglycerides did not correlate with the corresponding tissue ST:STUDY_SUMMARY metformin concentrations. ST:INSTITUTE North Carolina State University ST:LAST_NAME Liu ST:FIRST_NAME Xiaojing ST:ADDRESS 128 Polk Hall, 120 W Broughton Dr. ST:EMAIL xliu68@ncsu.edu ST:PHONE 919.515.4387 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - P1 Treatment:water Sample type=Plasma; RAW_FILE_NAME=P1.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - P2 Treatment:water Sample type=Plasma; RAW_FILE_NAME=P2.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - P3 Treatment:water Sample type=Plasma; RAW_FILE_NAME=P3.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - P4 Treatment:water Sample type=Plasma; RAW_FILE_NAME=P4.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - P10 Treatment:metformin Sample type=Plasma; RAW_FILE_NAME=P10.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - P11 Treatment:metformin Sample type=Plasma; RAW_FILE_NAME=P11.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - P12 Treatment:metformin Sample type=Plasma; RAW_FILE_NAME=P12.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - P13 Treatment:metformin Sample type=Plasma; RAW_FILE_NAME=P13.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - P14 Treatment:metformin Sample type=Plasma; RAW_FILE_NAME=P14.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Muscle491 Treatment:water Sample type=Muscle; RAW_FILE_NAME=Muscle491.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Muscle492 Treatment:water Sample type=Muscle; RAW_FILE_NAME=Muscle492.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Muscle493 Treatment:water Sample type=Muscle; RAW_FILE_NAME=Muscle493.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Muscle494 Treatment:water Sample type=Muscle; RAW_FILE_NAME=Muscle494.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Muscle501 Treatment:metformin Sample type=Muscle; RAW_FILE_NAME=Muscle501.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Muscle502 Treatment:metformin Sample type=Muscle; RAW_FILE_NAME=Muscle502.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Muscle503 Treatment:metformin Sample type=Muscle; RAW_FILE_NAME=Muscle503.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Muscle504 Treatment:metformin Sample type=Muscle; RAW_FILE_NAME=Muscle504.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Muscle505 Treatment:metformin Sample type=Muscle; RAW_FILE_NAME=Muscle505.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Liver491 Treatment:water Sample type=Liver; RAW_FILE_NAME=Liver491.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Liver492 Treatment:water Sample type=Liver; RAW_FILE_NAME=Liver492.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Liver493 Treatment:water Sample type=Liver; RAW_FILE_NAME=Liver493.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Liver494 Treatment:water Sample type=Liver; RAW_FILE_NAME=Liver494.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Liver501 Treatment:metformin Sample type=Liver; RAW_FILE_NAME=Liver501.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Liver502 Treatment:metformin Sample type=Liver; RAW_FILE_NAME=Liver502.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Liver503 Treatment:metformin Sample type=Liver; RAW_FILE_NAME=Liver503.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Liver504 Treatment:metformin Sample type=Liver; RAW_FILE_NAME=Liver504.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Liver505 Treatment:metformin Sample type=Liver; RAW_FILE_NAME=Liver505.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Heart491 Treatment:water Sample type=Heart; RAW_FILE_NAME=Heart491.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Heart492 Treatment:water Sample type=Heart; RAW_FILE_NAME=Heart492.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Heart494 Treatment:water Sample type=Heart; RAW_FILE_NAME=Heart494.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Heart501 Treatment:metformin Sample type=Heart; RAW_FILE_NAME=Heart501.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Heart502 Treatment:metformin Sample type=Heart; RAW_FILE_NAME=Heart502.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Heart503 Treatment:metformin Sample type=Heart; RAW_FILE_NAME=Heart503.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Heart504 Treatment:metformin Sample type=Heart; RAW_FILE_NAME=Heart504.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Heart505 Treatment:metformin Sample type=Heart; RAW_FILE_NAME=Heart505.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Intestine491 Treatment:water Sample type=Intestine; RAW_FILE_NAME=Intestine491.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Intestine493 Treatment:water Sample type=Intestine; RAW_FILE_NAME=Intestine493.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Intestine494 Treatment:water Sample type=Intestine; RAW_FILE_NAME=Intestine494.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Intestine501 Treatment:metformin Sample type=Intestine; RAW_FILE_NAME=Intestine501.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Intestine502 Treatment:metformin Sample type=Intestine; RAW_FILE_NAME=Intestine502.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Intestine503 Treatment:metformin Sample type=Intestine; RAW_FILE_NAME=Intestine503.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Intestine504 Treatment:metformin Sample type=Intestine; RAW_FILE_NAME=Intestine504.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Intestine505 Treatment:metformin Sample type=Intestine; RAW_FILE_NAME=Intestine505.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Kidney491 Treatment:water Sample type=Kidney; RAW_FILE_NAME=Kidney491.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Kidney492 Treatment:water Sample type=Kidney; RAW_FILE_NAME=Kidney492.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Kidney493 Treatment:water Sample type=Kidney; RAW_FILE_NAME=Kidney493.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Kidney494 Treatment:water Sample type=Kidney; RAW_FILE_NAME=Kidney494.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Kidney501 Treatment:metformin Sample type=Kidney; RAW_FILE_NAME=Kidney501.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Kidney502 Treatment:metformin Sample type=Kidney; RAW_FILE_NAME=Kidney502.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Kidney503 Treatment:metformin Sample type=Kidney; RAW_FILE_NAME=Kidney503.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Kidney504 Treatment:metformin Sample type=Kidney; RAW_FILE_NAME=Kidney504.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Kidney505 Treatment:metformin Sample type=Kidney; RAW_FILE_NAME=Kidney505.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Adipose491 Treatment:water Sample type=Adipose; RAW_FILE_NAME=Adipose491.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Adipose492 Treatment:water Sample type=Adipose; RAW_FILE_NAME=Adipose492.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Adipose493 Treatment:water Sample type=Adipose; RAW_FILE_NAME=Adipose493.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Adipose494 Treatment:water Sample type=Adipose; RAW_FILE_NAME=Adipose494.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Adipose501 Treatment:metformin Sample type=Adipose; RAW_FILE_NAME=Adipose501.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Adipose502 Treatment:metformin Sample type=Adipose; RAW_FILE_NAME=Adipose502.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Adipose503 Treatment:metformin Sample type=Adipose; RAW_FILE_NAME=Adipose503.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Adipose505 Treatment:metformin Sample type=Adipose; RAW_FILE_NAME=Adipose505.RAW; MS level=MS1 SUBJECT_SAMPLE_FACTORS - Pooled_plasma_pos Treatment:Mix Sample type=Plasma; RAW_FILE_NAME=Pooled_plasma_pos.RAW; MS level=MS2 SUBJECT_SAMPLE_FACTORS - Pooled_muscle_pos Treatment:Mix Sample type=Plasma; RAW_FILE_NAME=Pooled_muscle_pos.RAW; MS level=MS2 SUBJECT_SAMPLE_FACTORS - Pooled_liver_pos Treatment:Mix Sample type=Plasma; RAW_FILE_NAME=Pooled_liver_pos.RAW; MS level=MS2 SUBJECT_SAMPLE_FACTORS - Pooled_heart_pos Treatment:Mix Sample type=Plasma; RAW_FILE_NAME=Pooled_heart_pos.RAW; MS level=MS2 SUBJECT_SAMPLE_FACTORS - Pooled_intestine_pos Treatment:Mix Sample type=Plasma; RAW_FILE_NAME=Pooled_intestine_pos.RAW; MS level=MS2 SUBJECT_SAMPLE_FACTORS - Pooled_kidney_pos Treatment:Mix Sample type=Plasma; RAW_FILE_NAME=Pooled_kidney_pos.RAW; MS level=MS2 SUBJECT_SAMPLE_FACTORS - Pooled_adipose_pos Treatment:Mix Sample type=Plasma; RAW_FILE_NAME=Pooled_adipose_pos.RAW; MS level=MS2 SUBJECT_SAMPLE_FACTORS - Pooled_plasma_neg Treatment:Mix Sample type=Plasma; RAW_FILE_NAME=Pooled_plasma_neg.RAW; MS level=MS2 SUBJECT_SAMPLE_FACTORS - Pooled_muscle_neg Treatment:Mix Sample type=Plasma; RAW_FILE_NAME=Pooled_muscle_neg.RAW; MS level=MS2 SUBJECT_SAMPLE_FACTORS - Pooled_liver_neg Treatment:Mix Sample type=Plasma; RAW_FILE_NAME=Pooled_liver_neg.RAW; MS level=MS2 SUBJECT_SAMPLE_FACTORS - Pooled_heart_neg Treatment:Mix Sample type=Plasma; RAW_FILE_NAME=Pooled_heart_neg.RAW; MS level=MS2 SUBJECT_SAMPLE_FACTORS - Pooled_intestine_neg Treatment:Mix Sample type=Plasma; RAW_FILE_NAME=Pooled_intestine_neg.RAW; MS level=MS2 SUBJECT_SAMPLE_FACTORS - Pooled_kidney_neg Treatment:Mix Sample type=Plasma; RAW_FILE_NAME=Pooled_kidney_neg.RAW; MS level=MS2 SUBJECT_SAMPLE_FACTORS - Pooled_adipose_neg Treatment:Mix Sample type=Plasma; RAW_FILE_NAME=Pooled_adipose_neg.RAW; MS level=MS2 #COLLECTION CO:COLLECTION_SUMMARY Blood was collected into tubes containing EDTA anticoagulant via cardiac CO:COLLECTION_SUMMARY puncture. Plasma was obtained by centrifugation of whole blood at 1,500 g for 10 CO:COLLECTION_SUMMARY min at 4 °C and stored at -80 °C freezer. CO:SAMPLE_TYPE plasma, adipose, liver, muscle, heart, kidney, intestine, adipose #TREATMENT TR:TREATMENT_SUMMARY C57BL/6 mice were housed North Carolina State University Biological Resources TR:TREATMENT_SUMMARY Facility with ad libitum access to food (Laboratory Rodent Diet 5001) and water TR:TREATMENT_SUMMARY on a 12-hour light/dark cycle. At the age of 8 weeks, mice were administrated TR:TREATMENT_SUMMARY metformin in their drinking water (1mg/ml) for 12 days. Before tissue and blood TR:TREATMENT_SUMMARY collection, mice were fasted for 5 hours (6am-11am). Mice were then anesthetized TR:TREATMENT_SUMMARY with isoflurane and sacrificed via cervical dislocation. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY All tissue sample was first homogenized in liquid nitrogen and then 10-20 mg SP:SAMPLEPREP_SUMMARY tissues were weighed into a new 1.7 ml Eppendorf tube. Ice cold extraction SP:SAMPLEPREP_SUMMARY solvent (400 ul 80% methanol/water) and 10 ul metformin-d6 (50 ng/ul in water) SP:SAMPLEPREP_SUMMARY was added to each sample. Geno/Grinder homogenizer was used (1500 rpm, 1 to 2 SP:SAMPLEPREP_SUMMARY min) to further break down the tissue chunk and form an even suspension. 200 ul SP:SAMPLEPREP_SUMMARY supernatant containing polar metabolites was removed after centrifugation at SP:SAMPLEPREP_SUMMARY 20,000 g at 4 °C for 10 min and transferred to LC vial for polar metabolite SP:SAMPLEPREP_SUMMARY analysis using LC-HRMS. The rest samples (200 ul solvent and insoluble pellet) SP:SAMPLEPREP_SUMMARY were briefly homogenized using Geno/Grinder again (1500 rpm, 30 sec) to loosen SP:SAMPLEPREP_SUMMARY the bottom pellet and better mix with extraction solvent. 480 ul MTBE and 10 ul SP:SAMPLEPREP_SUMMARY internal standard solution were added. After rigorous vortexing, 120 ul water SP:SAMPLEPREP_SUMMARY was added to initiate phase separation. All samples were centrifuged at 20,000 g SP:SAMPLEPREP_SUMMARY at 4 °C for 10 min. The supernatant containing lipids was transferred to a new SP:SAMPLEPREP_SUMMARY Eppendorf tube and dried using speed vacuum. Dry pellets were stored in -80 °C SP:SAMPLEPREP_SUMMARY freezer until ready for LC-HRMS analysis. To extract metabolites and lipids from SP:SAMPLEPREP_SUMMARY mouse plasma, 10 ul plasma was mixed with 10 l water containing internal SP:SAMPLEPREP_SUMMARY standards (50 ng/ul metformin-d6, 5 mM [U-13C]-glucose and [U-13C]-lactate, and SP:SAMPLEPREP_SUMMARY 80 ul ice cold methanol was added. After vortex for 1 min, the mixture was SP:SAMPLEPREP_SUMMARY centrifuged with a speed of 20,000 g at 4 °C for 10 min, and 20 ul was SP:SAMPLEPREP_SUMMARY transferred directly to LC vial without solvent evaporation, followed by LC-HRMS SP:SAMPLEPREP_SUMMARY analysis (injection volume, 3 ul) of polar metabolites such as glucose and SP:SAMPLEPREP_SUMMARY metformin. To the rest samples (80 l solvent and pellet), 192 ul MTBE and 10 SP:SAMPLEPREP_SUMMARY ul lipid internal standard solution were added. After rigorous vortexing, 48 ul SP:SAMPLEPREP_SUMMARY water was added to initiate phase separation. All samples were centrifuged at SP:SAMPLEPREP_SUMMARY 20,000 g at 4 °C for 10 min. The supernatant containing lipids was transferred SP:SAMPLEPREP_SUMMARY to a new Eppendorf tube and dried using speed vacuum. The dry pellets of lipids SP:SAMPLEPREP_SUMMARY from mouse tissues or plasma were reconstituted into (300 ul for tissue and 50 SP:SAMPLEPREP_SUMMARY ul for plasma) sample solvent (isopropanol: ethyl acetate, 1:1, v/v), and 3 ul SP:SAMPLEPREP_SUMMARY was injected to LC-HRMS for lipidomics analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Xbridge BEH C18 column (100 × 2.1 mm, 2.5 um) CH:SOLVENT_A 80% water/20% acetonitrile; 0.1% formic acid; mM ammonium formate, CH:SOLVENT_B 90% isopropanol/10% acetonitrile; 0.1% formic acid; 10 mM ammonium formate CH:FLOW_GRADIENT Linear gradient was: 0 min, 40% B; 1.5 min, 40% B; 5.0 min, 85% B; 12.0 min, 97% CH:FLOW_GRADIENT B; 16.0 min, 97% B; 16.5 min, 40% B; 21.0 min, 40% B. CH:FLOW_RATE The flow rate was: 0.15 ml/min. CH:COLUMN_TEMPERATURE 40 °C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap Exploris 480 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS The relevant parameters of Orbitrap Exploris 480 were as listed: vaporizer MS:MS_COMMENTS temperature, 350 °C; ion transfer tube temperature, 300 °C; sheath gas, 35; MS:MS_COMMENTS auxiliary gas, 7; sweep gas, 1; spray voltage, 3.5 kV for positive mode and 2.5 MS:MS_COMMENTS kV for negative mode; RF-lens (%), 45. The resolution was set at 120,000 (at m/z MS:MS_COMMENTS 200). The scan range was 200 to 1600 (m/z). Automatic maximum injection time MS:MS_COMMENTS (max IT) and automatic gain control (AGC) were used. MS/MS scan was acquired MS:MS_COMMENTS using Hybrid mode (BRI-DIA followed by DDA) with the inclusion list containing MS:MS_COMMENTS precursor ions in positive and negative ion mode (described in the Supplementary MS:MS_COMMENTS table 1 of our prior publication PMID: 35842862). The MS/MS condition for MS:MS_COMMENTS positive or negative ion mode was set as follows: precursor isolation window was MS:MS_COMMENTS set at 1 (m/z) for all three methods, HCD collision energy was set at 25%, MS:MS_COMMENTS orbitrap resolution of full scan and MS/MS scan was set at 60,000 and 15,000, MS:MS_COMMENTS respectively. Intensity threshold for DDA and DIA MS/MS scan was set at 10,000. MS:MS_COMMENTS LC-MS peak extraction and integration were performed using MS-DIAL with default MS:MS_COMMENTS settings. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS arbitrary unit MS_METABOLITE_DATA_START Samples Adipose491 Adipose492 Adipose493 Adipose494 Adipose501 Adipose502 Adipose503 Adipose505 Factors Treatment:water Treatment:water Treatment:water Treatment:water Treatment:metformin Treatment:metformin Treatment:metformin Treatment:metformin CAR 14:0 182133.1461 614964.5385 1878737.366 1093078.439 690616.5128 598282.807 585975.5804 540249.8305 CAR 16:0 1610834.157 1459955.846 10112679.8 2664306.146 1035737.744 1053158.509 2181275.536 912554.5763 CAR 16:1 133888.6517 370225.9231 2703945.951 251011.5122 437714.7692 108309.6491 214602.3214 248874.7458 CAR 18:0 916668.7079 293020.9231 5953065.756 1045708.683 272284.2051 392644.693 595345.1339 378644.2797 CAR 18:1 1505290.337 1504216.308 15712760.2 1804294.829 1189499.795 846111.3158 1451950.536 1475307.627 CAR 18:2 52000.05618 284080.4615 4077101.659 325273.7073 121669.4872 105696.4912 236851.0268 183367.5424 CAR 20:1 122861.4607 56423.84615 1689778.537 205584.2439 22083.79487 57258.07018 97675 87219.5339 CAR 20:4 561.7977528 10643.57692 3557532.878 25060.58537 512.8205128 98663.37719 1858.839286 423.7288136 Cer 34:0;2O|Cer 18:0;2O/16:0 1803766.854 1564838.154 3973345.171 1223352.878 803763.8974 1251547.982 1346129.464 850164.5763 Cer 34:1;2O|Cer 18:1;2O/16:0 3533269.663 3737412.308 2608279.22 3149035.512 4097265.231 6771069.474 4138070.714 3125354.237 Cer 36:0;2O|Cer 18:0;2O/18:0 5857999.101 913369.3846 2477868.683 124930.878 899712.3077 322280.7456 313200.8036 1344090.339 Cer 38:0;2O|Cer 20:0;2O/18:0 8359957.753 906844.3077 3860026.146 143566.9268 1212418.359 347688.2456 261647.7232 1529988.983 Cer 40:1;2O|Cer 18:1;2O/22:0 2048883.596 2417994.154 2696319.024 2550923.902 1578402.769 2651093.158 2217440.536 1609891.017 Cer 41:1;2O|Cer 18:1;2O/23:0 1846110.337 2651706.154 2037112.78 2619837.659 2103766.154 1706189.123 2009818.214 1822967.966 Cer 42:1;2O|Cer 18:1;2O/24:0 3012785.169 3480616.615 9203384.195 4874810.927 3480095.59 3478253.333 3503171.071 2869155.593 Cer 42:2;2O|Cer 18:1;2O/24:1 9375235.955 9694494.154 11676414.44 12488810.15 8012158.359 9982080 9653980 6468014.237 Cer 43:5;4O|Cer 17:3;2O/26:2;2O 1914735.955 2423896.769 2083837.659 12429108.29 2220483.487 2217104.211 1932042.321 3264056.949 CoQ9 23615014.83 24201656.62 34656071.8 58975631.61 32144580.92 36698001.4 20985192.86 24805101.02 DG 28:0|DG 14:0_14:0 455511.6854 542911.2308 487.804878 2996196.878 490368 267416.8421 223739.5536 776549.1525 DG 30:0|DG 14:0_16:0 5687605.843 6808374.154 4215741.268 26482547.51 5357497.846 5275843.86 6310028.571 7068494.915 DG 30:1|DG 14:0_16:1 6969235.955 6753796.923 2830343.415 25823628.49 7871661.128 7308534.737 7971979.286 11267140.34 DG 30:2|DG 12:0_18:2 1913153.483 2536193.231 1064769.854 9176810.927 3307796.103 2224144.035 2699395.893 3712643.729 DG 31:0|DG 15:0_16:0 1423940.449 1372171.538 796324.1951 3253540.683 1391235.59 933605.614 990966.4286 1147961.356 DG 32:0|DG 16:0_16:0 44768399.1 44935955.69 34262618.54 102342962 38901933.95 33701524.21 42363240 45291343.73 DG 32:1|DG 16:0_16:1 110526008.1 126938594.5 96510120.59 302648994.3 100686592 116230321.4 119831234.3 140625833.2 DG 32:2|DG 14:0_18:2 64328212.13 69628913.23 40543547.32 214328894.4 80907093.33 81776533.33 74388217.14 99209534.92 DG 32:3|DG 16:0_16:3 9076065.618 10901360 5491674.927 32393303.41 5186177.231 5178971.579 9998152.857 12244875.93 DG 33:1|DG 15:0_18:1 12001882.25 13883431.38 10557372.88 31526552.98 12880949.33 11797207.02 12626998.57 14682263.05 DG 33:2|DG 15:0_18:2 13778044.04 17074539.08 13087847.8 45396027.32 15519195.9 16580524.91 14481954.29 17907886.1 DG 34:0|DG 16:0_18:0 6586723.146 7406068.923 6215516.098 29690901.85 6328823.385 6058670.175 6075968.571 6842206.102 DG 34:1|DG 16:0_18:1 449950173.5 457652381.5 373485018.5 1015919391 402793865.8 370711758.6 450446628.6 516825296.3 DG 34:2|DG 16:0_18:2 945031708.8 1012116165 761062325.1 2100650384 920222798.8 929216044.9 1000197851 1104422617 DG 34:3|DG 16:1_18:2 276622497.1 315230267.1 238017835.7 686112967.8 315353035.5 340284407 320778034.3 388332995.3 DG 35:3|DG 17:1_18:2 15957887.64 21860455.38 17124567.41 51778091.71 17435396.92 19765583.16 16874224.29 19419353.22 DG 36:0|DG 18:0_18:0 330302.0225 512928.0385 262730.0488 3737694.049 382196.8205 362032.2807 488514.9107 608152.161 DG 36:1|DG 18:0_18:1 47182622.92 53857924.92 43839157.07 214722285.3 52322632.21 45725729.12 44627451.43 58088612.88 DG 36:2|DG 18:1_18:1 634571649.4 682649915.1 634066844.1 1650325754 667883625 651377583.2 668288045.7 850341488.8 DG 36:3|DG 18:1_18:2 988648758.7 1140754590 962442714.5 2311421153 1137597939 1189706734 1092461897 1289604513 DG 36:4|DG 18:2_18:2 317713172.1 411958784 337575261.7 1051802749 365663835.9 376501849.8 351534651.4 451394560 DG 36:5|DG 18:2_18:3 69551065.17 80111650.46 39142350.05 191947950.8 70890765.13 64726282.11 69581131.43 78299471.19 DG 38:1|DG 20:0_18:1 1452318.315 1667286.923 1119546.146 9779406.049 1789265.846 1673869.474 1297771.786 2622111.186 DG 38:2|DG 18:1_20:1 18307599.1 21408598.15 16283930.54 84047940.68 21591881.85 19164880 19203674.29 26573646.1 DG 38:3|DG 20:1_18:2 34444663.37 37404546.46 31207623.8 139443050.1 38966245.74 34013715.09 36572140 47972772.88 DG 38:4|DG 18:1_20:3 21220963.6 26207672.62 19835588.68 76688577.56 25879678.36 23236160 24096094.29 31757998.64 DG 38:5|DG 16:0_22:5 36216852.13 46043564.31 36152210.73 72751366.24 31694139.08 34133911.58 37928828.57 34625499.66 DG 38:6|DG 16:0_22:6 57223755.51 81470902.15 43436668.88 150686270.4 51179162.26 48901945.26 64244028.57 48114711.86 DG 38:7|DG 16:1_22:6 26147011.24 31756918.15 13205202.73 57072415.22 24492447.18 22565028.77 27253237.14 23818877.29 DG 40:8|DG 18:2_22:6 14190826.97 16848755.69 5920799.22 38673754.54 16253715.69 13919351.58 14237665.71 15253712.54 LPC 15:0/0:0 1771917.191 2469617.385 4082469.463 2611590.829 1188563.59 2008290.877 3064589.643 1367689.153 LPC 16:0/0:0 13510664.27 22364452.92 50854312.59 37196181.85 14098484.51 26459893.33 31204148.57 17056431.19 LPC 16:1/0:0 26726.57303 229888.6923 558090.439 335858.9268 512.8205128 292214.1228 406852.7232 124676.0169 LPC 17:0/0:0 372401.5169 575507.5769 1770438.244 1091062.732 247100.2051 679008.9474 915603.0357 379284.322 LPC 18:0/0:0 17183541.57 27124844.31 72991912.59 45676856.2 18999364.92 29512915.09 36803874.29 19741067.12 LPC 18:1/0:0 3004052.36 5719984 12347894.63 7983719.024 2748570.872 5773741.404 6987946.429 3596280.678 LPC 18:2 3196815.056 8026100.308 11820696.2 10298933.85 3407352 5768021.754 8938854.286 4197032.542 LPC 19:0/0:0 510561.1236 826819.2308 1467314.829 1441465.756 359591.5897 787811.3158 784885.4464 380295.4661 LPC 20:1/0:0 181584.5506 240270.3846 779454.0976 423624.6829 79902.20513 274173.5965 341362.0089 109935.3814 LPC 20:3 70155 409559.6923 1216803.415 525438.4878 85327.48718 251460.3509 479327.9018 80272.28814 LPC 20:4 583841.1236 1504666.923 8586958.049 2206128.976 688712.2051 1472103.86 1690271.429 836829.4915 LPC 22:0/0:0 80127.69663 188081.1154 481435.3171 253086.6341 66908.71795 224457.4561 233606.0714 140007.161 LPC 22:6 516862.4157 1014441.077 1876070.439 1228852.293 517211.5897 861143.5088 965063.2143 676737.7966 LPC 24:0/0:0 183598.0899 304661.1538 593790.6341 410707.6098 171383.4872 303156.5789 358594.7321 174524.661 PC 29:2 152164.1573 382657.6154 143594.9268 93780.39024 75237.07692 121216.7544 192311.25 123656.1864 PC 30:0|PC 14:0_16:0 5055225.169 11595773.54 66160789.85 15908806.24 4994814.769 18097841.4 12695432.86 6690682.034 PC 31:0|PC 15:0_16:0 6948520.449 11311611.08 33720535.41 10915950.05 4917153.641 10309705.26 9684400.714 5310005.763 PC 32:0|PC 16:0_16:0 174308113.3 275335266.5 837278495.2 323532075.7 132755193.4 319181114.4 327197508.6 191860545.1 PC 32:1 51094162.7 91182601.85 277536468.3 99173151.22 41793834.67 96910237.19 106402228.6 62354722.71 PC 32:2 2456087.191 3794454.154 12160899.9 6841620.293 2057419.487 3971273.333 4474888.214 3043969.831 PC 33:0|PC 16:0_17:0 3526143.82 6874947.692 18971520 7006824.585 3049222.359 5385456.14 6740820 2987186.441 PC 33:1 9508841.348 15881206.15 54766186.15 15476647.02 6280429.538 13287911.58 14785080 7927901.017 PC 33:2 2080803.371 4260780 7229611.707 5131139.512 2095312.615 3044462.807 3473579.643 2534135.593 PC 33:5 1843922.809 3991131.385 6354978.341 2728434.732 2169554.872 3825188.07 3647960.357 2397377.119 PC 34:0|PC 16:0_18:0 21145542.47 47054414.77 217417952.8 49317238.63 14722671.59 37414961.4 45161137.14 23852756.61 PC 34:1 397924731.7 588179968 1522643943 737245134 279496677.7 741498386 618238537.1 417902210.2 PC 34:2|PC 16:0_18:2 708833222.5 1096404598 1027158316 1155207668 532108629.3 760183646.3 1105488640 652732051.5 PC 34:3|PC 16:1_18:2 13762352.36 22936009.85 28689176.98 28300156.88 12727595.49 21663167.72 25536505.71 18529955.25 PC 34:4 (1) 3276838.427 3324829.846 2968930.732 3820113.561 2729873.231 3381752.632 3843705.357 3080618.983 PC 34:4 (2) 207340.6742 500034.4231 8917656.976 651903.9512 235458.1538 2204681.404 442490.8929 324201.1864 PC 35:1 14417995.51 25744110.77 59731387.32 27609637.46 9350135.795 15646440.7 21798207.14 12974591.19 PC 35:2|PC 17:0_18:2 66459577.53 112592206.8 82250908.1 107124548.7 44143100.72 65638287.72 98894445.71 52424336.27 PC 35:5|PC 15:1_20:4 31907458.88 49789666.46 142129464.2 45773527.41 27243181.95 56806568.42 45757328.57 31444664.41 PC 36:1 265940882.7 522769092.9 1459130368 562567218 167092079.6 358770256.8 403431542.9 286871604.1 PC 36:2|PC 18:0_18:2 1274894497 2018428770 1693853446 2355090307 961070841.4 1420657808 1915543771 1191676182 PC 36:3 316546617.5 529210052.9 955587009.6 534401024 233655348.5 409143691.2 516615131.4 304838747.1 PC 36:4 144138887.2 230512324.9 2717586907 235913340.9 110906735.6 387498801.4 258762925.7 139071978.3 PC 36:5 9046177.079 16257793.23 59363334.24 13263600.39 7520500.513 18297142.46 14297634.29 9058393.22 PC 37:1 4520479.551 8765211.692 9955500.488 8202641.951 2581190.359 4534128.421 6501771.429 4986150.169 PC 37:2|PC 19:0_18:2 18126509.66 41404066.46 36339646.44 44750904.2 13590585.44 18642759.3 29388128.57 18615830.51 PC 37:3|PC 19:1_18:2 6293226.067 14804548.92 15575650.34 15093179.32 5283170.051 8419960.702 13393094.29 6246318.644 PC 38:1 1484762.697 2879842.769 10219643.32 2351391.024 976958.6667 3841578.246 2125023.571 1343960.085 PC 38:2|PC 18:0_20:2 15505013.93 31034336 59290667.71 30017364.29 10168891.08 23547598.6 23139990 14334303.73 PC 38:3|PC 18:0_20:3 57288877.3 104842308.9 445185098.9 105883922.7 33727113.85 66720303.16 86367845.71 48318193.9 PC 38:4|PC 18:0_20:4 209655255.7 341491121.2 4788197226 384201203.5 149954704.4 382514167 311040274.3 203415842.7 PC 38:5|PC 18:1_20:4 75430809.89 131993324.3 691278523.3 126602951.8 53965059.28 142023837.2 133621920 72669895.59 PC 38:6 47357526.29 97731790.77 322255547.3 81061563.32 38679318.97 101294607.7 98104091.43 53856813.56 PC 39:5 2004276.404 4210234.462 10872284.88 3467082.927 1386716.821 2887971.93 3450522.143 1631514.915 PC 39:6|PC 20:2_19:4 2040412.584 4041335.385 6532686.049 3084989.268 1717587.897 2497432.105 3577545 2019758.814 PC 40:4|PC 18:0_22:4 1592699.775 4911572.923 78302083.12 5503985.951 1286348.718 12133977.54 4364441.786 2270481.864 PC 40:6|PC 18:0_22:6 88391399.55 154776487.4 340246802.7 133775010.3 62425744.41 107454484.2 141525348.6 85560482.71 PC 40:7|PC 18:1_22:6 11932435.96 24532108.31 61955733.85 21442794.15 9394317.949 23665948.07 24527120 13575712.54 PC 40:8|PC 18:2_22:6 2374320.449 4152098.462 16971521.56 4769642.537 1962062.359 4631914.035 4534201.071 2357354.237 PC 42:10 514598.3146 984054.0769 6180291.902 1004066.146 350889.5897 1497821.93 988237.5 508955.8051 PC 42:5 266802.9213 635002.7692 13314369.56 159269.561 34099.64103 639599.4737 889589.2857 151799.322 PC 42:6 224450 647850.6154 6040392.976 70079.36585 512.8205128 1029024.298 335193.9286 423.7288136 PC 42:7 1425357.191 2366923.077 9420888.195 1672877.073 770825.3846 3154328.772 2334517.679 1270753.814 SM 32:1;2O 683581.7978 1187744 8808757.073 1356543.61 707667.641 1671252.807 1508346.964 892108.3051 SM 33:1;2O 1895597.079 3055844.923 17790933.85 3189793.366 1995564.923 3755196.491 3614450.357 2071345.593 SM 34:0;2O 18375268.31 31593838.77 109370755.1 24928674.34 13970893.13 28874756.49 30796942.86 18163468.47 SM 34:1;2O 182384640 330171136 637229705.4 374487514.5 157610430.4 378678343.9 396803291.4 204624227.8 SM 34:1;3O 1116637.64 2231006.154 10119885.27 1743662.829 1344559.692 3324875.789 2187808.929 1461147.797 SM 34:2;2O 4646969.888 8266391.385 17125806.83 8221662.439 4384141.949 11834376.14 9701086.429 6029285.424 SM 35:1;2O|SM 18:1;2O/17:0 7011113.708 11948254.77 19087669.07 9943991.415 4906956.308 9769721.404 11228930.71 5776126.78 SM 36:1;2O 72297981.12 111742148.9 171809866.9 110061667.9 52239891.69 102356558.6 124035371.4 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42:2;2O 148217671.9 220528502.2 520548402 196804458.1 100868266.7 174013507.4 212453874.3 130121654.2 SM 42:3;2O 26891719.55 46638380.31 120759920.4 44447353.76 18725211.9 47471354.39 47251425.71 30079058.98 SM 43:2;2O 4844970.337 6569932.923 10198822.24 5467039.61 7305243.077 6669262.456 6463362.857 6037922.712 TG 40:0|TG 8:0_14:0_18:0 24185431.01 34960078.77 18441036.49 44414704.39 20755485.54 12861911.58 24907091.43 24614782.37 TG 41:0|TG 9:0_16:0_16:0 3076235.056 3112014.154 1647992 7090889.366 3521133.949 957788.0702 1679465 1715316.949 TG 42:0|TG 12:0_14:0_16:0 20529150.56 22320568.62 16698012.1 33179104.78 20841281.64 11325665.26 16973844.29 18861766.78 TG 42:1|TG 8:0_16:0_18:1 146069817.5 175975266.5 95480001.56 260136885.1 137028292.9 93159601.4 169013897.1 142247181 TG 42:2|TG 8:0_16:0_18:2 275160679.6 357964012.3 164604878 736687328.8 274708269.9 199244081.4 383529828.6 297674847.5 TG 43:1|TG 9:0_16:0_18:1 31049959.55 29328851.69 19688265.37 52569643.71 29269431.79 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166694813.5 89908661.07 272986886.2 136096308.5 116487736.1 94298062.86 125746115.3 TG 60:3|TG 18:1_18:1_24:1 283669573 296649038.8 190368668.1 496818026.1 271629600.8 231619278.6 222111222.9 292947330.2 TG 60:4|TG 18:1_24:1_18:2 221727280.9 237033905.2 179731481 295660094.4 247333704.2 226961403.5 193616480 185241252.9 TG 60:5|TG 24:1_18:2_18:2 50334529.44 43104275.69 39016597.85 65352597.85 40709993.03 40690745.26 49183034.29 41217174.24 TG 60:6|TG 16:0_22:0_22:6 6223770.337 6129222.154 2886620.878 6054794.146 3961624.205 2750536.14 5695425.714 3072951.186 TG 60:7|TG 18:0_20:1_22:6 13502228.31 12653230.77 6938188.488 13084177.95 10526634.67 7220467.368 13627874.29 8682798.644 TG 60:8|TG 18:1_20:1_22:6 30242473.71 21461095.38 18492272.39 34153091.12 21557505.64 16716665.26 25685854.29 21254607.46 TG 60:9|TG 20:1_18:2_22:6 39448686.74 24989196.31 25358618.54 49297929.37 31051424.82 24420724.21 31033842.86 28738839.32 TG 61:13|TG 18:2_21:5_22:6 3178636.629 3330118.769 1391353.951 2348914.146 2285115.487 1599329.298 2379845.179 1467995.085 TG 61:2|TG 25:0_18:1_18:1 19817711.46 22826692.92 14441222.24 40372945.17 18266507.49 16413535.44 13646418.57 18407317.97 TG 61:3|TG 25:0_18:1_18:2 35296165.39 44075682.46 25430780.88 66544440.2 32821097.03 32153434.39 25662697.14 31551145.76 TG 61:4|TG 18:1_25:1_18:2 22731275.51 29550518.15 17274121.37 47804007.02 24607250.05 20223195.79 19402017.14 21114889.49 TG 61:5|TG 18:1_25:1_18:3 5386054.831 5314222.769 4017761.171 9765475.902 5550740.923 3913631.93 6399618.571 4941727.119 TG 62:12|TG 18:1_22:5_22:6 14912727.19 10742753.23 4310790.244 14429600.78 7729537.641 6496446.316 8246205.714 5783509.153 TG 62:13|TG 18:1_22:6_22:6 14695858.88 10871908.92 7160916.293 15555259.32 11136891.08 8367389.474 10493899.29 5425642.373 TG 62:14|TG 18:2_22:6_22:6 43016107.87 34208022.15 17130260.29 30788876.49 30653906.05 18990508.07 32834425.71 16831416.95 TG 62:15|TG 18:3_22:6_22:6 5018707.416 5687554.462 2397253.073 3389381.854 4773764.513 2674590.175 5370176.429 2038309.153 TG 62:2|TG 26:0_18:1_18:1 28772593.26 32402390.15 17900815.61 69666666.15 25539464.21 22726223.16 17548977.14 27974850.17 TG 62:3|TG 18:1_18:1_26:1 48940390.11 59812686.77 31892383.22 97681526.63 47254124.31 38737409.12 34496140 40558928.81 TG 62:4|TG 18:1_26:1_18:2 34469677.3 35682333.54 23731883.71 68696844.49 38634843.9 29335592.98 28601668.57 36460423.05 TG 62:5|TG 18:1_18:2_26:2 11811462.47 14258704 8739829.073 18521746.73 12332717.13 11338367.02 9281595.714 10672314.58 TG 62:7|TG 16:0_24:1_22:6 4588937.978 4579403.692 2169829.463 5891687.805 2029871.385 1119779.211 3978101.429 3038489.492 TG 62:8|TG 16:0_18:1_28:7 5793994.607 3652247.692 4213574.634 7123845.463 5924193.641 4422078.947 4212581.429 5272004.068 TG 63:3|TG 27:0_18:1_18:2 6708491.685 8310270.154 4967918.049 14044812.49 5350370.872 5401621.404 4330133.214 5679187.458 TG 63:4|TG 18:1_27:1_18:2 3725256.629 5350402.462 2338696.195 8100967.024 3132182.769 2903891.754 3103352.5 2529481.356 TG 64:16|TG 20:4_22:6_22:6 306365.5056 654712.9231 487.804878 487.804878 512.8205128 112304.4737 446.4285714 423.7288136 TG 64:4|TG 18:1_28:1_18:2 8968091.685 12144576 5411544.195 18828092.88 8541728.821 6470214.035 5758749.286 6486008.136 TG 64:7|TG 24:0_18:1_22:6 449310.5618 1610055.538 516020.8293 2562876.488 695159.5385 386265.614 563601.4732 286146.6102 TG 64:8|TG 18:1_24:1_22:6 1365880.225 2083275.846 1013863.122 3449417.756 731711.0256 1378622.982 1469467.321 1421786.441 TG 64:9|TG 18:1_18:1_28:7 4949394.607 4833577.538 4261204.293 8021798.244 5194103.795 5694493.684 4250062.5 6348038.644 VAE 22:3 7881.573034 7258.615385 18873.17073 8462 512.8205128 9269.824561 19305.58036 18612.54237 CL 70:5|CL 34:2_36:3 14522.47191 19262.84615 53879.95122 23633.95122 4859.230769 25754.38596 20821.20536 18574.57627 CL 70:6|CL 16:1_18:2_18:1_18:2 49544.94382 91847.73077 115972.878 111965.3171 35769.07692 81559.86842 87086.42857 64916.01695 CL 70:7|CL 16:1_18:2_18:2_18:2 104578.2022 224536.8462 185206.5366 262417.122 114615.9487 152235.3509 225100.1339 155090.5508 CL 72:5|CL 18:1_18:1_18:1_18:2 561.7977528 384.6153846 54528 1327.95122 512.8205128 15325.83333 446.4285714 423.7288136 CL 72:6|CL 18:1_18:2_18:1_18:2 42590.11236 67760.73077 164559.0244 93149.56098 32487.94872 68572.36842 59788.57143 51916.48305 CL 72:7|CL 18:1_18:2_18:2_18:2 209828.9888 358263.3077 407286.1951 561199.7561 204484.4615 283256.7544 325841.6518 251163.3051 CL 72:8|CL 18:2_18:2_18:2_18:2 522950.3371 1132070.308 884753.2683 1626993.171 531496.1538 636117.7632 948318.0357 783673.7288 CL 74:8|CL 36:3_38:5 14548.14607 25977.11538 111576.1463 49269.5122 4202.461538 25808.72807 27999.55357 12470.42373 CL 76:12|CL 36:4_40:8 2666.741573 12591.34615 93004.97561 14965.95122 1074.615385 8908.684211 4628.125 3073.771186 GM3 42:1;2O 6227.303371 384.6153846 324102.878 17390.34146 3924.820513 25447.89474 18783.61607 9668.220339 GM3 42:2;2O 561.7977528 384.6153846 195056.7805 4544.585366 3074.051282 3885.921053 14719.50893 6327.966102 HexCer 38:1;2O 67748.20225 92886.73077 103569.4146 80368.92683 36403.79487 108160.3947 114961.6964 56160.67797 HexCer 40:1;2O 179057.5281 300032.9231 344316.4878 346265.561 166701.2308 288475.0877 280023.4375 170847.839 HexCer 41:1;2O 132313.7079 213345.1923 188568.1463 334622.5366 123697.9487 135016.5789 197752.7679 137940.2542 HexCer 41:1;3O 148545.9551 237526.9615 110968.1463 319556.2927 98262.41026 123322.4123 223440.3571 160218.4322 HexCer 42:1;2O 166995 240348.7692 666903.561 327583.4146 126400.2564 254955.2632 221463.75 163336.1441 HexCer 42:1;3O 186714.4944 300546.4615 425623.8049 375238.0488 138172.9231 241715.0439 290141.25 202171.3559 HexCer 42:2;2O 126063.8764 205427.3846 458464.439 252437.3659 108875.8974 279739.8246 224758.3929 135232.2034 HexCer 42:2;3O 153561.4607 277736.5 417881.2195 291653.6585 127669.0769 173177.0175 300712.9464 209633.2627 LPE 15:0 28212.13483 32716.84615 56506.63415 39853.85366 20549.17949 22806.84211 49693.4375 14643.68644 LPE 16:0 360696.4045 456819.2308 799498.2927 567338.3902 317670.4615 462178.9035 611564.3304 278032.1186 LPE 17:0 24391.17978 16187.53846 41360.63415 14832.63415 15367.94872 25818.64035 20702.67857 10695.50847 LPE 18:0 1413367.978 1426704.615 2295133.854 1145146.634 939575.1795 1089365.614 1151159.643 850138.6441 LPE 18:1 413805.8989 590543.2692 1127342.244 634418.439 382034.0513 510382.4561 809384.9107 338116.1864 LPE 18:2 179546.2921 402031.1923 274164.3415 448592.0488 147547.8462 290617.7632 429151.5625 199058.7288 LPE 20:1 3082.808989 32495.03846 6094.780488 17608.2439 512.8205128 4274.649123 7059.866071 12133.09322 LPE 20:3 10158.93258 42809.53846 31407.07317 50478.58537 7826.461538 29811.09649 34504.28571 7739.152542 LPE 20:4 507181.236 1383719.385 2825780.293 1460996.293 629067.641 1407097.895 1348917.411 665170.0847 LPE 20:5 15063.20225 75168.19231 21193.12195 90249.56098 25958.41026 44436.53509 88497.99107 22902.07627 LPE 22:4 10958.42697 37231.23077 169599.561 51804.97561 9686.564103 57483.46491 71781.69643 27476.69492 LPE 22:6 650691.3483 1730691.538 938389.8537 1578831.805 785152.6154 1108648.509 1638626.607 824061.2712 LPE-N (FA)37:4|LPE-N (FA 17:0)20:4 624515.4494 1038208.846 2067409.561 1023104.878 416747.3846 1003344.298 1054526.25 606699.8729 LPS 18:0 40504.4382 45293.30769 48619.95122 63332.09756 78949.64103 30290.61404 59996.42857 61375.25424 PA 34:1|PA 16:0_18:1 12756.34831 129459.4615 377365.7561 301038.6341 27894.15385 218849.2105 382612.8125 29224.15254 PA 34:2|PA 16:0_18:2 13027.41573 170260.3462 9639.073171 21840.68293 61467.69231 438.5964912 28666.74107 54465.84746 PA 38:4|PA 18:0_20:4 179156.8539 167107.4615 154423.1707 41982.19512 125664 314783.3333 224339.2857 81480.12712 PC O-32:0|PC O-16:0_16:0 290044.4944 426152.8462 993354.7317 489636.1951 182396.9744 462666.6667 406940.4018 264326.9492 PC O-32:1|PC O-16:1_16:0 257825.0562 385810.8462 1082650.829 360078.5366 173664.5128 347891.0526 294106.1607 236836.1017 PC O-36:0|PC O-20:0_16:0 9083.820225 13681.84615 108851.9024 36848.82927 18200.05128 9516.491228 13869.86607 10685 PC O-38:4|PC O-18:0_20:4 67284.32584 131119.1538 971927.9024 147501.561 37318.51282 228970.5702 123501.9643 78627.71186 PE 32:0|PE 16:0_16:0 172629.8876 252098 617311.1707 289233.561 97221.12821 194233.4649 337859.1964 188281.9068 PE 32:2|PE 16:1_16:1 93293.48315 183553.4231 138722.9756 141317.2195 71944 86941.40351 201390.2679 114003.3051 PE 34:0|PE 16:0_18:0 935197.191 1093099.615 3804808.976 1245976.098 632955.3846 1329099.035 1361482.589 788498.1356 PE 34:1|PE 16:0_18:1 6387080.899 8674780.923 12443756.49 8406952.585 3674289.641 6755337.544 9530080 5983353.22 PE 34:2|PE 16:0_18:2 12994570.79 20214324.92 14105251.9 17985091.12 8605645.949 12261051.23 20487755.71 13424789.15 PE 34:3|PE 16:1_18:2 1123686.854 2071307.385 1253862.732 1608350.341 838531.4872 1069824.298 2290038.036 1242404.492 PE 35:1|PE 17:0_18:1 449506.9663 727263.8462 893644 747884.2927 319631.4872 472387.7193 691878.6607 399362.3305 PE 35:2|PE 17:0_18:2 1133482.247 1624484.923 915614.6341 1459149.268 661432.8205 1015824.211 1489786.786 878847.7119 PE 35:3|PE 17:0_18:3 205254.0449 199759.8462 22060.29268 107296 61333.02564 166716.7105 224378.8393 87254.83051 PE 36:1|PE 18:0_18:1 8727574.831 11697604.92 29066446.05 13205057.56 5864639.59 10395257.54 12467660 8078149.153 PE 36:2|PE 18:0_18:2 34668077.3 49392792.62 40588856.2 59483554.34 20242087.38 31963789.47 46063751.43 33924366.1 PE 36:2|PE 18:1_18:1 3098797.303 4671624.615 4247000.585 4675169.171 2295176.41 3191088.07 3718292.5 2877995.593 PE 36:3|PE 18:1_18:2 15388008.99 25254338.46 20955118.83 24492664.2 10997777.23 17847454.04 27045225.71 17494302.37 PE 36:4|PE 16:0_20:4 5644721.348 8152147.692 23765105.95 6542229.073 4030882.872 14612057.54 8286510 5589066.78 PE 36:5|PE 16:1_20:4 903393.3146 1593980 2144804.488 1117554.341 621184.4615 1286207.105 1668535.179 821684.0678 PE 38:2|PE 18:1_20:1 680056.5169 995652.6923 828095.0244 1225767.902 450215.1282 941330.3509 1031671.518 646568.4746 PE 38:4|PE 18:0_20:4 26359489.44 38075694.77 149056324.7 46192512 15897616.41 43746094.04 33806311.43 25924574.92 PE 38:5|PE 18:1_20:4 9425678.202 15276166.15 49425102.05 13905253.46 6698653.128 17680853.33 14947524.29 9870621.017 PE 38:6|PE 16:0_22:6 13683877.75 19529794.46 24261883.32 13508370.73 8935393.641 15528975.44 16432917.14 12031000.68 PE 38:7|PE 16:1_22:6 751710.8427 1417444.615 1467756.39 765500.0488 570983.641 804112.6316 1424815.536 676067.0339 PE 39:2|PE 19:0_20:2 115082.5843 178332.4615 101621.122 182292.1951 51861.84615 88891.49123 137795.8929 81522.0339 PE 39:4|PE 19:0_20:4 453121.4607 751235.3846 941047.7073 810907.2683 248351.6923 505971.4912 650376.875 394446.822 PE 40:2|PE 20:0_20:2 73032.19101 120906.3077 143006.1951 142064.5854 28749.79487 95669.12281 92279.41964 60818.47458 PE 40:4|PE 18:0_22:4 642460.7303 1038881.385 7770066.732 1038981.659 451977.5897 2563731.93 1230106.339 692725.1271 PE 40:6|PE 18:0_22:6 17011230.56 24539131.08 25770764.49 22239943.8 9977904.41 16901633.68 21856231.43 14942428.47 PE 40:7|PE 18:1_22:6 7220523.146 12068340.92 14858096.39 8748017.951 5531436.308 8674618.947 10490478.57 7330591.864 PE 40:8|PE 18:2_22:6 592188.2022 1231905.231 1265497.171 905902.439 555839.3333 756544.4737 1101080.536 606684.4492 PE 42:1|PE 24:0_18:1 7409.157303 12717.76923 94422.04878 14518.63415 4257.589744 32822.98246 26552.63393 1995.974576 PE O-32:1|PE O-16:1_16:0 229218.2022 413793.8462 592809.5122 374629.8049 157618.2564 205045.7018 501165.8929 196368.5593 PE O-32:2|PE O-16:1_16:1 901541.573 1360959.692 1517337.366 1237189.659 561967.8974 983952.2807 1581314.643 958402.5424 PE O-34:1|PE O-18:1_16:0 91254.38202 197739.2308 720156 189618.3415 80346.15385 122157.1491 218599.0625 85718.26271 PE O-34:2|PE O-16:1_18:1 4947391.461 7336253.538 30262490.54 8153517.268 3703938.051 6300865.263 7875730 4352690.847 PE O-34:3|PE O-16:1_18:2 3239593.034 4463213.231 3925004.878 5522413.659 1883042.051 3146596.14 4012777.5 2832364.915 PE O-36:1|PE O-18:0_18:1 39169.94382 58648.76923 103285.4146 63286.29268 31920.51282 64649.82456 41484.6875 29742.37288 PE O-36:2|PE O-18:1_18:1 1376133.258 2069844.308 15456310.63 2530960.195 1107484.821 2120987.895 1925267.679 1092006.949 PE O-36:3|PE O-18:1_18:2 2573205.618 3835973.538 8777127.024 5242951.805 1962360.41 3796532.982 3440114.286 2202314.407 PE O-36:5|PE O-16:1_20:4 21075822.02 32604992 125685422.8 36384024.98 13367925.33 38156221.75 30766917.14 19735697.63 PE O-36:6|PE O-16:1_20:5 1482523.933 2444691.077 3138063.024 2427433.951 1022061.744 1950282.982 2198087.679 1328467.881 PE O-37:5|PE O-17:1_20:4 805288.9888 1293556 6640630.634 1682372.878 559279.8462 1330400.526 727545.0893 766828.0508 PE O-38:2|PE O-20:1_18:1 124270.8989 259813.7308 394139.7073 344410.9268 167802.4615 253410.9649 179039.8661 151420.7627 PE O-38:3|PE O-20:1_18:2 275772.8652 455675.6538 738658.1463 732654.9268 252128.2051 491109.2105 341118.3036 257014.1525 PE O-38:5|PE O-18:1_20:4 8227428.315 13511592.62 158599879.8 16827765.07 6781262.769 26927489.12 12326150 7681058.983 PE O-38:6|PE O-18:2_20:4 9416924.045 14204281.85 36699744.78 15780305.17 6170302.769 16081170.53 12976505.71 9066402.034 PE O-38:7|PE O-16:1_22:6 34739965.84 64439817.85 95600046.83 61331037.66 22464157.54 54555722.11 58992160 35479511.86 PE O-40:6|PE O-18:1_22:5 2460993.258 3901838.462 8452260.683 4215678.829 1675340.205 3942280.351 3559750.714 2256605.424 PE O-40:7|PE O-18:1_22:6 7686985.169 12096516.92 21977245.66 13392045.27 5520514.051 11691869.47 9650125 6604613.559 PE O-40:8|PE O-18:2_22:6 7462912.36 14465906.46 21340437.85 15164951.41 5492864.41 13950200.7 12955995.71 8031427.797 PE O-42:7|PE O-20:1_22:6 498493.7079 990974.4615 899876.9756 1241839.902 556771.2308 826717.5439 679635.3571 540018.6017 PEtOH 32:0|PEtOH 16:0_16:0 65215.95506 128452.3462 174759.4634 13146.87805 77319.69231 155258.5965 93023.48214 98305.25424 PEtOH 34:1|PEtOH 16:0_18:1 393783.3708 530636.5 576038.3902 126082.3902 267932.6154 758462.2807 546720.0446 273472.9661 PEtOH 34:2|PEtOH 16:0_18:2 1016299.663 770850.8462 531961.1707 139763.4146 431567.3846 774544.386 778230.4464 418757.4576 PEtOH 36:2|PEtOH 18:0_18:2 1696677.528 1300041.385 602744.5854 371435.8537 663095.1282 1254575.351 1342226.071 767225.339 PEtOH 36:3|PEtOH 18:1_18:2 573668.4831 413985.2692 209659.4634 87751.80488 215949.4359 442075.3947 570674.1964 208003.0508 PG 36:2|PG 18:1_18:1 259985.0562 340941.2692 374050.5366 516312.7317 205610.9744 285247.9825 365331.25 351572.6271 PG 36:3|PG 18:1_18:2 230867.9775 297743.1154 374211.4146 424429.5122 182044.6667 297157.2807 304919.375 295126.0169 PG 36:4|PG 18:2_18:2 50794.60674 82840.34615 111642.0488 92532.92683 48413.89744 79385.17544 82403.39286 67664.0678 PG 38:6|PG 16:0_22:6 3068.033708 31950.30769 144914.2927 30340.92683 7518.307692 42699.91228 30990.71429 27687.92373 PG 40:7|PG 18:1_22:6 151639.9438 426787.5385 558950.1951 373990.0488 136285.1282 342231.5789 268107.4554 174628.3051 PG 40:8|PG 18:2_22:6 78057.92135 143697.9231 358851.0244 97452.78049 64233.4359 143801.4035 123516.0714 81357.0339 PG 42:10|PG 20:4_22:6 8340.842697 45865.76923 302894.7317 33910.43902 18486.51282 60273.90351 33629.375 24389.36441 PG 42:9|PG 20:3_22:6 3441.460674 19011.73077 140316.4878 20988.14634 8709.025641 25072.89474 26658.16964 13849.83051 PG 44:11|PG 22:5_22:6 55583.37079 132070.2692 577208.5366 62152.68293 47130.30769 367592.2368 102516.4732 33248.09322 PG 44:12|PG 22:6_22:6 100724.5506 208003.6923 2264306.537 137990.0976 118371.4359 806632.3684 163471.5179 71602.24576 PI 36:1|PI 18:0_18:1 209970.3371 234377.2308 11797212.1 321574.8293 125110.2564 291838.5526 434369.7768 213926.9068 PI 36:2|PI 18:0_18:2 997393.1461 542685.8846 3622393.756 947626.1463 680321.4872 961522.4561 1515845.893 810206.9492 PI 36:4|PI 16:0_20:4 2654848.539 3444142.769 16024875.71 3579926.634 2142939.487 5405341.754 5687446.786 2947476.271 PI 37:4|PI 17:0_20:4 450414.1573 616048.6538 1612838.244 767028.0976 370314.1538 551214.9123 962359.4643 457872.8814 PI 38:4|PI 18:0_20:4 24647985.62 28257255.38 110286810.5 39444224 18158331.08 34916988.07 35485745.71 24357944.41 PI 38:5|PI 18:1_20:4 3787979.775 5674368.615 9229135.61 5147199.22 3291503.59 5286715.439 8569893.571 3902988.136 PI 38:6|PI 18:1_20:5 132626.4045 255145.7692 230699.0732 174725.6098 122095.7949 128774.8684 290365.8929 157733.3051 PI 39:5 129353.8202 135890.6538 203707.0244 160767.0244 68787.64103 108527.1491 206343.9286 97215.67797 PI 40:4|PI 18:0_22:4 85686.23596 169773.6538 1163408.78 203552.2927 59289.94872 290521.9298 250896.6964 95788.22034 PI 40:5|PI 18:0_22:5 158413.2022 254917 991692.0976 226118.439 103910.5641 282198.8158 395547.5 159907.6271 PI 40:6|PI 18:0_22:6 142819.7753 151759 2922929.951 149855.7073 110687.8462 244964.4737 289001.9643 111944.5763 PI 40:7 5733.820225 49660.19231 390136.4878 25504.2439 17740.97436 58538.33333 74232.76786 13059.36441 PS 34:2 82234.55056 99375.19231 215356.6341 231205.9512 66904.35897 163777.1053 286325.5804 123824.661 PS 36:1|PS 18:0_18:1 2149545.393 2727532.308 30442389.85 3629991.805 1484854.154 5815514.035 4410565.714 1998868.305 PS 36:2|PS 18:0_18:2 3471893.708 5081989.846 10867918.83 7819662.829 3153089.641 5906768.421 7354782.857 4298634.237 PS 37:4 48356.29213 66008.69231 142353.6585 89014.34146 7895.230769 86401.00877 103094.1071 52388.47458 PS 38:3|PS 18:0_20:3 1110792.247 1830268.769 7318720 2656216.976 971572.4103 2789995.439 2817533.929 1485607.797 PS 38:4|PS 18:0_20:4 4623179.326 6752339.692 26914884.68 10266230.63 3498406.974 10311402.81 9125288.571 6329288.814 PS 38:5|PS 18:0_20:5 449349.7753 749075.3077 1599143.61 1047303.512 408890.8205 876691.2281 1284654.286 683392.1186 PS 39:4|PS 19:0_20:4 61924.77528 118873.1538 154673.9024 152414.9268 48164.66667 164225.614 193274.7321 93419.19492 PS 39:6|PS 17:0_22:6 152413.6517 241918.5385 249672.3902 276336.6829 123379.4359 168494.1667 384167.7679 170841.7797 PS 40:4|PS 18:0_22:4 425405.5056 839889.0769 9626513.171 977044 317651.2821 1630520.175 1276511.429 711920.5085 PS 40:6|PS 18:0_22:6 21497456.18 28717147.08 41667062.63 32130675.51 16647384.62 25313541.05 37886860 23991021.02 PS 40:7|PS 18:1_22:6 1260653.258 2118758.923 2581025.756 2141015.415 1232574.359 1704482.807 3395384.643 1666747.797 PS 41:6|PS 19:0_22:6 436688.0337 787131.4615 697835.2683 828157.7561 389588.2564 492592.5 1049983.036 499910.0847 PS 41:7 32473.08989 64745.53846 52304.39024 65296.39024 19448.10256 21846.53509 91882.14286 35041.94915 PS 42:10|PS 20:4_22:6 102398.2584 179797.2308 249811.9024 201304.6341 85040.71795 132020.3947 274168.8393 138102.839 PS 42:9 2108826.517 2140978.769 1733199.61 2354072.195 1916926.154 1904248.947 2458302.679 2090899.661 ST 24:1;O4 216129.1573 184899.5385 92208.78049 133580.1951 86157.58974 101037.9825 260577.0536 91215.9322 ST 27:1;O;S 636169.4944 463383.5769 9873963.707 850371.3171 377337.3846 445750.2632 447933.6607 389956.1017 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name CAR 14:0 CAR 16:0 CAR 16:1 CAR 18:0 CAR 18:1 CAR 18:2 CAR 20:1 CAR 20:4 Cer 34:0;2O|Cer 18:0;2O/16:0 Cer 34:1;2O|Cer 18:1;2O/16:0 Cer 36:0;2O|Cer 18:0;2O/18:0 Cer 38:0;2O|Cer 20:0;2O/18:0 Cer 40:1;2O|Cer 18:1;2O/22:0 Cer 41:1;2O|Cer 18:1;2O/23:0 Cer 42:1;2O|Cer 18:1;2O/24:0 Cer 42:2;2O|Cer 18:1;2O/24:1 Cer 43:5;4O|Cer 17:3;2O/26:2;2O CoQ9 DG 28:0|DG 14:0_14:0 DG 30:0|DG 14:0_16:0 DG 30:1|DG 14:0_16:1 DG 30:2|DG 12:0_18:2 DG 31:0|DG 15:0_16:0 DG 32:0|DG 16:0_16:0 DG 32:1|DG 16:0_16:1 DG 32:2|DG 14:0_18:2 DG 32:3|DG 16:0_16:3 DG 33:1|DG 15:0_18:1 DG 33:2|DG 15:0_18:2 DG 34:0|DG 16:0_18:0 DG 34:1|DG 16:0_18:1 DG 34:2|DG 16:0_18:2 DG 34:3|DG 16:1_18:2 DG 35:3|DG 17:1_18:2 DG 36:0|DG 18:0_18:0 DG 36:1|DG 18:0_18:1 DG 36:2|DG 18:1_18:1 DG 36:3|DG 18:1_18:2 DG 36:4|DG 18:2_18:2 DG 36:5|DG 18:2_18:3 DG 38:1|DG 20:0_18:1 DG 38:2|DG 18:1_20:1 DG 38:3|DG 20:1_18:2 DG 38:4|DG 18:1_20:3 DG 38:5|DG 16:0_22:5 DG 38:6|DG 16:0_22:6 DG 38:7|DG 16:1_22:6 DG 40:8|DG 18:2_22:6 LPC 15:0/0:0 LPC 16:0/0:0 LPC 16:1/0:0 LPC 17:0/0:0 LPC 18:0/0:0 LPC 18:1/0:0 LPC 18:2 LPC 19:0/0:0 LPC 20:1/0:0 LPC 20:3 LPC 20:4 LPC 22:0/0:0 LPC 22:6 LPC 24:0/0:0 PC 29:2 PC 30:0|PC 14:0_16:0 PC 31:0|PC 15:0_16:0 PC 32:0|PC 16:0_16:0 PC 32:1 PC 32:2 PC 33:0|PC 16:0_17:0 PC 33:1 PC 33:2 PC 33:5 PC 34:0|PC 16:0_18:0 PC 34:1 PC 34:2|PC 16:0_18:2 PC 34:3|PC 16:1_18:2 PC 34:4 (1) PC 34:4 (2) PC 35:1 PC 35:2|PC 17:0_18:2 PC 35:5|PC 15:1_20:4 PC 36:1 PC 36:2|PC 18:0_18:2 PC 36:3 PC 36:4 PC 36:5 PC 37:1 PC 37:2|PC 19:0_18:2 PC 37:3|PC 19:1_18:2 PC 38:1 PC 38:2|PC 18:0_20:2 PC 38:3|PC 18:0_20:3 PC 38:4|PC 18:0_20:4 PC 38:5|PC 18:1_20:4 PC 38:6 PC 39:5 PC 39:6|PC 20:2_19:4 PC 40:4|PC 18:0_22:4 PC 40:6|PC 18:0_22:6 PC 40:7|PC 18:1_22:6 PC 40:8|PC 18:2_22:6 PC 42:10 PC 42:5 PC 42:6 PC 42:7 SM 32:1;2O SM 33:1;2O SM 34:0;2O SM 34:1;2O SM 34:1;3O SM 34:2;2O SM 35:1;2O|SM 18:1;2O/17:0 SM 36:1;2O SM 36:2;2O SM 38:1;2O|SM 18:1;2O/20:0 SM 38:2;2O SM 39:1;2O SM 40:1;2O SM 40:2;2O SM 41:1;2O SM 41:2;2O|SM 18:2;2O/23:0 SM 42:1;2O SM 42:2;2O SM 42:3;2O SM 43:2;2O TG 40:0|TG 8:0_14:0_18:0 TG 41:0|TG 9:0_16:0_16:0 TG 42:0|TG 12:0_14:0_16:0 TG 42:1|TG 8:0_16:0_18:1 TG 42:2|TG 8:0_16:0_18:2 TG 43:1|TG 9:0_16:0_18:1 TG 43:2|TG 9:0_16:0_18:2 TG 44:0|TG 14:0_14:0_16:0 TG 44:1|TG 10:0_16:0_18:1 TG 44:2|TG 10:0_16:0_18:2 TG 44:3|TG 8:0_18:1_18:2 TG 44:4|TG 8:0_18:2_18:2 TG 45:0|TG 15:0_15:0_15:0 TG 45:1|TG 14:0_15:0_16:1 TG 45:2|TG 11:0_16:0_18:2 TG 45:3|TG 9:0_18:1_18:2 TG 45:4|TG 9:0_18:2_18:2 TG 46:0|TG 14:0_16:0_16:0 TG 46:1|TG 14:0_16:0_16:1 TG 46:2|TG 12:0_16:0_18:2 TG 46:3|TG 10:0_18:1_18:2 TG 46:4|TG 10:0_18:2_18:2 TG 46:5|TG 10:0_18:2_18:3 TG 46:6|TG 8:0_16:0_22:6 TG 47:0|TG 14:0_16:0_17:0 TG 47:1|TG 15:0_16:0_16:1 TG 47:2|TG 14:0_15:0_18:2 TG 47:3|TG 11:0_18:1_18:2 TG 47:4|TG 11:0_18:1_18:3 TG 47:5|TG 16:0_16:1_15:4 TG 47:6|TG 9:0_16:0_22:6 TG 48:1|TG 14:0_16:0_18:1 TG 48:2|TG 14:0_16:1_18:1 TG 48:3|TG 14:0_16:1_18:2 TG 48:4|TG 12:0_18:2_18:2 TG 48:5|TG 12:0_18:2_18:3 TG 48:6|TG 10:0_16:0_22:6 TG 48:7|TG 8:0_18:1_22:6 TG 49:0|TG 15:0_16:0_18:0 TG 49:1|TG 15:0_16:0_18:1 TG 49:2|TG 15:0_16:0_18:2 TG 49:3|TG 15:0_16:1_18:2 TG 49:4|TG 15:1_16:1_18:2 TG 49:5|TG 16:1_15:2_18:2 TG 49:6|TG 11:0_16:0_22:6 TG 50:1|TG 16:0_16:0_18:1 TG 50:2|TG 16:0_16:1_18:1 TG 50:3|TG 16:0_16:1_18:2 TG 50:4|TG 16:1_16:1_18:2 TG 50:5|TG 14:0_18:2_18:3 TG 50:6|TG 16:0_18:2_16:4 TG 50:7|TG 16:1_18:2_16:4 TG 51:1|TG 16:0_17:0_18:1 TG 51:2|TG 16:0_17:1_18:1 TG 51:3|TG 15:0_18:1_18:2 TG 51:3|TG 17:1_17:1_17:1 TG 51:4|TG 15:0_18:2_18:2 TG 51:5|TG 15:0_18:2_18:3 TG 51:6|TG 15:2_18:2_18:2 TG 51:7|TG 15:2_18:2_18:3 TG 52:1|TG 16:0_18:0_18:1 TG 52:2|TG 16:0_18:1_18:1 TG 52:3|TG 16:1_18:1_18:1 TG 52:4|TG 16:0_18:2_18:2 TG 52:5|TG 16:1_18:2_18:2 TG 52:6|TG 16:1_18:2_18:3 TG 52:7|TG 14:0_16:1_22:6 TG 52:8|TG 18:2_16:3_18:3 TG 53:1|TG 16:0_19:0_18:1 TG 53:2|TG 16:0_18:1_19:1 TG 53:3|TG 17:0_18:1_18:2 TG 53:4|TG 17:1_18:1_18:2 TG 53:4|TG 17:1_19:1_17:2 TG 53:5|TG 17:1_18:2_18:2 TG 53:6|TG 17:1_18:2_18:3 TG 53:7|TG 15:0_16:1_22:6 TG 54:1|TG 18:0_18:0_18:1 TG 54:2|TG 18:0_18:1_18:1 TG 54:3|TG 18:1_18:1_18:1 TG 54:4|TG 18:1_18:1_18:2 TG 54:5|TG 18:1_18:2_18:2 TG 54:6|TG 16:0_16:0_22:6 TG 54:6|TG 18:1_18:2_18:3 TG 54:7|TG 18:2_18:2_18:3 TG 54:8|TG 16:1_18:2_20:5 TG 54:9|TG 18:3_18:3_18:3 TG 55:1|TG 18:0_19:0_18:1 TG 55:2|TG 18:0_18:1_19:1 TG 55:2|TG 19:0_18:1_18:1 TG 55:3|TG 19:0_18:1_18:2 TG 55:4|TG 18:1_19:1_18:2 TG 55:5|TG 17:0_18:1_20:4 TG 55:5|TG 18:1_18:2_19:2 TG 55:5|TG 19:1_18:2_18:2 TG 55:6|TG 16:0_18:1_21:5 TG 55:6|TG 19:1_18:2_18:3 TG 55:7|TG 16:0_18:2_21:5 TG 55:8|TG 15:0_18:2_22:6 TG 56:1|TG 18:0_20:0_18:1 TG 56:10|TG 16:1_18:3_22:6 TG 56:2|TG 18:0_18:1_20:1 TG 56:3|TG 18:1_18:1_20:1 TG 56:4;1O|TG 18:1_18:2_20:1;1O TG 56:4|TG 18:1_20:1_18:2 TG 56:6|TG 16:0_18:0_22:6 TG 56:7;1O|TG 16:0_18:1_22:6;1O TG 56:7|TG 16:0_18:1_22:6 TG 56:8|TG 16:0_18:2_22:6 TG 56:9|TG 16:1_18:2_22:6 TG 57:2|TG 16:0_18:1_23:1 TG 57:3|TG 18:1_19:1_20:1 TG 57:4|TG 18:1_21:1_18:2 TG 57:5|TG 18:1_18:2_21:2 TG 57:6|TG 18:0_18:1_21:5 TG 57:7|TG 18:1_18:1_21:5 TG 57:8|TG 18:1_18:2_21:5 TG 57:9|TG 18:2_18:2_21:5 TG 58:1|TG 16:0_24:0_18:1 TG 58:10|TG 18:2_18:2_22:6 TG 58:11|TG 18:2_18:3_22:6 TG 58:2|TG 16:0_18:1_24:1 TG 58:3|TG 18:1_20:1_20:1 TG 58:4|TG 18:1_22:1_18:2 TG 58:6|TG 18:0_18:0_22:6 TG 58:7|TG 18:0_18:1_22:6 TG 58:7|TG 18:1_18:2_22:4 TG 58:8|TG 18:1_18:1_22:6 TG 58:9|TG 18:1_18:2_22:6 TG 59:1|TG 16:0_25:0_18:1 TG 59:2|TG 23:0_18:1_18:1 TG 59:3|TG 18:1_18:1_23:1 TG 59:4|TG 18:1_23:1_18:2 TG 59:8|TG 18:1_19:1_22:6 TG 59:9|TG 19:1_18:2_22:6 TG 60:1|TG 18:0_24:0_18:1 TG 60:10|TG 18:1_20:4_22:5 TG 60:11|TG 18:2_20:4_22:5 TG 60:12|TG 16:0_22:6_22:6 TG 60:13|TG 16:1_22:6_22:6 TG 60:2|TG 24:0_18:1_18:1 TG 60:3|TG 18:1_18:1_24:1 TG 60:4|TG 18:1_24:1_18:2 TG 60:5|TG 24:1_18:2_18:2 TG 60:6|TG 16:0_22:0_22:6 TG 60:7|TG 18:0_20:1_22:6 TG 60:8|TG 18:1_20:1_22:6 TG 60:9|TG 20:1_18:2_22:6 TG 61:13|TG 18:2_21:5_22:6 TG 61:2|TG 25:0_18:1_18:1 TG 61:3|TG 25:0_18:1_18:2 TG 61:4|TG 18:1_25:1_18:2 TG 61:5|TG 18:1_25:1_18:3 TG 62:12|TG 18:1_22:5_22:6 TG 62:13|TG 18:1_22:6_22:6 TG 62:14|TG 18:2_22:6_22:6 TG 62:15|TG 18:3_22:6_22:6 TG 62:2|TG 26:0_18:1_18:1 TG 62:3|TG 18:1_18:1_26:1 TG 62:4|TG 18:1_26:1_18:2 TG 62:5|TG 18:1_18:2_26:2 TG 62:7|TG 16:0_24:1_22:6 TG 62:8|TG 16:0_18:1_28:7 TG 63:3|TG 27:0_18:1_18:2 TG 63:4|TG 18:1_27:1_18:2 TG 64:16|TG 20:4_22:6_22:6 TG 64:4|TG 18:1_28:1_18:2 TG 64:7|TG 24:0_18:1_22:6 TG 64:8|TG 18:1_24:1_22:6 TG 64:9|TG 18:1_18:1_28:7 VAE 22:3 CL 70:5|CL 34:2_36:3 CL 70:6|CL 16:1_18:2_18:1_18:2 CL 70:7|CL 16:1_18:2_18:2_18:2 CL 72:5|CL 18:1_18:1_18:1_18:2 CL 72:6|CL 18:1_18:2_18:1_18:2 CL 72:7|CL 18:1_18:2_18:2_18:2 CL 72:8|CL 18:2_18:2_18:2_18:2 CL 74:8|CL 36:3_38:5 CL 76:12|CL 36:4_40:8 GM3 42:1;2O GM3 42:2;2O HexCer 38:1;2O HexCer 40:1;2O HexCer 41:1;2O HexCer 41:1;3O HexCer 42:1;2O HexCer 42:1;3O HexCer 42:2;2O HexCer 42:2;3O LPE 15:0 LPE 16:0 LPE 17:0 LPE 18:0 LPE 18:1 LPE 18:2 LPE 20:1 LPE 20:3 LPE 20:4 LPE 20:5 LPE 22:4 LPE 22:6 LPE-N (FA)37:4|LPE-N (FA 17:0)20:4 LPS 18:0 PA 34:1|PA 16:0_18:1 PA 34:2|PA 16:0_18:2 PA 38:4|PA 18:0_20:4 PC O-32:0|PC O-16:0_16:0 PC O-32:1|PC O-16:1_16:0 PC O-36:0|PC O-20:0_16:0 PC O-38:4|PC O-18:0_20:4 PE 32:0|PE 16:0_16:0 PE 32:2|PE 16:1_16:1 PE 34:0|PE 16:0_18:0 PE 34:1|PE 16:0_18:1 PE 34:2|PE 16:0_18:2 PE 34:3|PE 16:1_18:2 PE 35:1|PE 17:0_18:1 PE 35:2|PE 17:0_18:2 PE 35:3|PE 17:0_18:3 PE 36:1|PE 18:0_18:1 PE 36:2|PE 18:0_18:2 PE 36:2|PE 18:1_18:1 PE 36:3|PE 18:1_18:2 PE 36:4|PE 16:0_20:4 PE 36:5|PE 16:1_20:4 PE 38:2|PE 18:1_20:1 PE 38:4|PE 18:0_20:4 PE 38:5|PE 18:1_20:4 PE 38:6|PE 16:0_22:6 PE 38:7|PE 16:1_22:6 PE 39:2|PE 19:0_20:2 PE 39:4|PE 19:0_20:4 PE 40:2|PE 20:0_20:2 PE 40:4|PE 18:0_22:4 PE 40:6|PE 18:0_22:6 PE 40:7|PE 18:1_22:6 PE 40:8|PE 18:2_22:6 PE 42:1|PE 24:0_18:1 PE O-32:1|PE O-16:1_16:0 PE O-32:2|PE O-16:1_16:1 PE O-34:1|PE O-18:1_16:0 PE O-34:2|PE O-16:1_18:1 PE O-34:3|PE O-16:1_18:2 PE O-36:1|PE O-18:0_18:1 PE O-36:2|PE O-18:1_18:1 PE O-36:3|PE O-18:1_18:2 PE O-36:5|PE O-16:1_20:4 PE O-36:6|PE O-16:1_20:5 PE O-37:5|PE O-17:1_20:4 PE O-38:2|PE O-20:1_18:1 PE O-38:3|PE O-20:1_18:2 PE O-38:5|PE O-18:1_20:4 PE O-38:6|PE O-18:2_20:4 PE O-38:7|PE O-16:1_22:6 PE O-40:6|PE O-18:1_22:5 PE O-40:7|PE O-18:1_22:6 PE O-40:8|PE O-18:2_22:6 PE O-42:7|PE O-20:1_22:6 PEtOH 32:0|PEtOH 16:0_16:0 PEtOH 34:1|PEtOH 16:0_18:1 PEtOH 34:2|PEtOH 16:0_18:2 PEtOH 36:2|PEtOH 18:0_18:2 PEtOH 36:3|PEtOH 18:1_18:2 PG 36:2|PG 18:1_18:1 PG 36:3|PG 18:1_18:2 PG 36:4|PG 18:2_18:2 PG 38:6|PG 16:0_22:6 PG 40:7|PG 18:1_22:6 PG 40:8|PG 18:2_22:6 PG 42:10|PG 20:4_22:6 PG 42:9|PG 20:3_22:6 PG 44:11|PG 22:5_22:6 PG 44:12|PG 22:6_22:6 PI 36:1|PI 18:0_18:1 PI 36:2|PI 18:0_18:2 PI 36:4|PI 16:0_20:4 PI 37:4|PI 17:0_20:4 PI 38:4|PI 18:0_20:4 PI 38:5|PI 18:1_20:4 PI 38:6|PI 18:1_20:5 PI 39:5 PI 40:4|PI 18:0_22:4 PI 40:5|PI 18:0_22:5 PI 40:6|PI 18:0_22:6 PI 40:7 PS 34:2 PS 36:1|PS 18:0_18:1 PS 36:2|PS 18:0_18:2 PS 37:4 PS 38:3|PS 18:0_20:3 PS 38:4|PS 18:0_20:4 PS 38:5|PS 18:0_20:5 PS 39:4|PS 19:0_20:4 PS 39:6|PS 17:0_22:6 PS 40:4|PS 18:0_22:4 PS 40:6|PS 18:0_22:6 PS 40:7|PS 18:1_22:6 PS 41:6|PS 19:0_22:6 PS 41:7 PS 42:10|PS 20:4_22:6 PS 42:9 ST 24:1;O4 ST 27:1;O;S METABOLITES_END #END