#METABOLOMICS WORKBENCH zys1986062186_20240710_200014 DATATRACK_ID:4997 STUDY_ID:ST003349 ANALYSIS_ID:AN005489 PROJECT_ID:PR002083 VERSION 1 CREATED_ON July 23, 2024, 12:55 pm #PROJECT PR:PROJECT_TITLE Data accqusition for targeted metabolomics PR:PROJECT_SUMMARY To obtain the metabolic alterations during endurance exercise, we performed a PR:PROJECT_SUMMARY metabolomics study that enrolled 19 race-walking athletes using untargeted and PR:PROJECT_SUMMARY targeted approaches. In total, 859 metabolites and 411 lipids were identified in PR:PROJECT_SUMMARY the untargeted methods, and 465 metabolites were quantified from targeted PR:PROJECT_SUMMARY methods. This extensive dataset offers a valuable resource for understanding the PR:PROJECT_SUMMARY systemic metabolic changes induced by race walking and assists researchers in PR:PROJECT_SUMMARY identifying biomarkers of athletic performance. PR:INSTITUTE The First Affiliated Hospital of Dalian Medical University PR:LAST_NAME Zhang PR:FIRST_NAME Yunshu PR:ADDRESS No.222 Zhongshan Road, Xigang District, Dalian City, Liaoning Province, Dalian, PR:ADDRESS Xigang District, Dalian City, Liaoning Province, 116000, China PR:EMAIL zys196062186@163.com PR:PHONE 041193635863 #STUDY ST:STUDY_TITLE Targeted metabolomics of human race walking ST:STUDY_SUMMARY To obtain the metabolic alterations during endurance exercise, we performed a ST:STUDY_SUMMARY metabolomics study that enrolled 19 race-walking athletes using untargeted and ST:STUDY_SUMMARY targeted approaches. In total, 859 metabolites and 411 lipids were identified in ST:STUDY_SUMMARY the untargeted methods, and 465 metabolites were quantified from targeted ST:STUDY_SUMMARY methods. This extensive dataset offers a valuable resource for understanding the ST:STUDY_SUMMARY systemic metabolic changes induced by race walking and assists researchers in ST:STUDY_SUMMARY identifying biomarkers of athletic performance. ST:INSTITUTE The First Affiliated Hospital of Dalian Medical University ST:LAST_NAME Zhang ST:FIRST_NAME yunshu ST:ADDRESS No.222 Zhongshan Road, Xigang District, Dalian City, Liaoning Province ST:EMAIL zys1986062186@163.com ST:PHONE 0411-83635863 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 79_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 79_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 79_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 79_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 81_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 81_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 81_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 81_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 83_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 83_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 83_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 83_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 84_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 84_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 84_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 84_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 85_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 85_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 85_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 85_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 86_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 86_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 86_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 86_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 87_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 87_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 87_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 87_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 88_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 88_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 88_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 88_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 89_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 89_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 89_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 89_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 90_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 90_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 90_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 90_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 91_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 91_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 91_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 91_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 92_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 92_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 92_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 92_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 93_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 93_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 93_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 93_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 94_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 94_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 94_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 94_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 95_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 95_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 95_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 95_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 96_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 96_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 96_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 96_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 97_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 97_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 97_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 97_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 98_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 98_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 98_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 98_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 99_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 99_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 99_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 99_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip #COLLECTION CO:COLLECTION_SUMMARY Sera were collected from 20 male student-athletes with the informed consent of CO:COLLECTION_SUMMARY every participants, and the study was approved by the ethics committee of CO:COLLECTION_SUMMARY Shenyang sport university (No.2022-6-30-01). Samples were collected at four CO:COLLECTION_SUMMARY different time points. The first point was fast samples collected before the CO:COLLECTION_SUMMARY race walk at 8:20 am (name as REST). The second point was collected at CO:COLLECTION_SUMMARY immediately after the race walk exercise at 10:30 am (name as STAT). The third CO:COLLECTION_SUMMARY point was collected at the 3-hour recovery period after the exercise at 13: 30 CO:COLLECTION_SUMMARY pm (named as REC3). The fourth point was fast samples collected at 22 h CO:COLLECTION_SUMMARY post-exercise on day 2 at 8:20 am (named as REC22). Blood were collected in CO:COLLECTION_SUMMARY plastic Vacutainer blood tubes, allowed to clot for 40 minutes, and then CO:COLLECTION_SUMMARY centrifuged at 13000 g for 10 minutes. The sera were frozen in dry ice CO:COLLECTION_SUMMARY immediately after collection and then stored at − 80°C untill analysis. CO:SAMPLE_TYPE Blood (serum) #TREATMENT TR:TREATMENT_SUMMARY There is no treatment. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The aliquots were thawed at 4 °C for 60 minutes and then gently blown with a SP:SAMPLEPREP_SUMMARY pipetting gun to allow uniform distribution of the sample. Then, 120μL of serum SP:SAMPLEPREP_SUMMARY was transferred to a 2 mL EP tube (Aixgen USA), and 480 μL of methanol was SP:SAMPLEPREP_SUMMARY added. The samples were vortexed for 5 min then allowed to stand for 10 min at SP:SAMPLEPREP_SUMMARY room temperature and centrifuged at 13000 g at 4 °C (Thermo Scientific, USA) SP:SAMPLEPREP_SUMMARY for 10 minutes. The upper extracts were transferred to a 1.5ml tube and SP:SAMPLEPREP_SUMMARY lyophilized for 3 hours in a vacuum freeze dryer (Labconco Corporation, USA) and SP:SAMPLEPREP_SUMMARY then stored at 4 °C until injection. Prior to analysis, the extracts were SP:SAMPLEPREP_SUMMARY redissolved in 500 μl acetonitril-water (1:3,v/v). Quality control (QC) samples SP:SAMPLEPREP_SUMMARY were prepared by mixing equal amounts of samples. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Shimadzu Nexera X2 CH:COLUMN_NAME ACE Excel 2 C18-PFP (100 x 2.1mm,2um) CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid CH:FLOW_GRADIENT 2% strong elution to 98% B in 12 min,12-13.5min 98%B,13.5-13.6min 98%-2% CH:FLOW_RATE 0.4 mL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Polarity switching for MS was used. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ng/mL MS_METABOLITE_DATA_START Samples 79_1 81_1 83_1 84_1 85_1 86_1 87_1 88_1 89_1 90_1 91_1 92_1 93_1 94_1 95_1 96_1 97_1 98_1 99_1 79_2 81_2 83_2 84_2 85_2 86_2 87_2 88_2 89_2 90_2 91_2 92_2 93_2 94_2 95_2 96_2 97_2 98_2 99_2 79_3 81_3 83_3 84_3 85_3 86_3 87_3 88_3 89_3 90_3 91_3 92_3 93_3 94_3 95_3 96_3 97_3 98_3 99_3 79_4 81_4 83_4 84_4 85_4 86_4 87_4 88_4 89_4 90_4 91_4 92_4 93_4 94_4 95_4 96_4 97_4 98_4 99_4 Factors Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Carnitine 34685.2 25463.96 29088.98 27384.24 28345.88 30454.46 32292.84 42891.22 23515.32 31447.5 28865.58 36768.19 33456.77 26773.77 34242.52 25221.41 33116.83 33860.71 33367.94 45740.94 27290.03 32418.58 26234.06 26212.6 33328.38 33474.17 42905.19 26795.58 32651.32 29999.89 42361.46 42666.04 27193.33 35924.85 27775.7 33049.2 42604.87 38952.14 39803.69 27830.67 30205.75 31280.69 30644.64 33233 34291.34 42091.72 25544.2 33718.22 373.3 40620.06 38012.31 27929.48 36296.82 27918.67 35335.77 36663.48 35944.68 40504.83 26029.1 28224.6 27250.19 24257.7 32852.17 31363.46 35788.88 23671.93 30865.64 25324.45 37682.24 35459.98 26464.24 34773.32 24388.39 31269.03 38777.29 35248.78 Acetylcarnitine 4608.06 2652.5 2103.06 2484.24 2836.14 3405.3 2441.36 4383.82 2245.37 2369.46 2411.37 3331.91 3927.74 2700.1 3907.16 2398.51 3166.26 3723.35 3724.93 13749.5 6077.91 9113.65 5705.76 7055.33 8955.2 6225.95 11280.85 5882.77 7386.87 8924.1 7811.91 12835.01 6052.81 9612 8885.03 8171.83 8279.12 12104.28 5468.03 2247.84 6023.99 2010.25 2773.76 3438.25 2919.98 3544.94 1627.89 4407.63 9.45 4093.22 3826.6 2232.37 4634.84 2926.24 2939.12 5232.33 3371.59 5511.11 2788.91 3169.49 3043.52 1821.75 3871.15 4232.2 3383.08 2515.34 2918.06 2504.11 3645.85 4033.33 2707.99 4576.15 1893.94 2717.65 6199.9 4385.75 AcCa(3:0) 390.63 318.93 398.95 343.26 322.92 455.61 492.17 529.05 155.78 290.98 330.28 512.67 347.6 309.58 399.39 448.04 424.52 356.03 270.98 1562.3 613.32 824.8 665.11 450.12 659.98 461.39 635.75 255.94 475.63 387.91 1113.89 776.46 344.65 588.62 453.95 565.63 610.02 417.68 599.91 409.68 281.6 400 333.66 330.99 405.77 446.63 171.97 299.16 77.89 549.55 504.02 352.91 471.39 406.88 489.96 329.87 311.77 402.15 290.69 259.64 228.6 237.46 322.69 364.74 400.74 196.15 228.33 323.81 410.45 362.14 266.33 414.88 340.04 370.15 533.5 259.64 AcCa(4:0) 744.11 587.45 437.41 445.81 678.46 592.93 223.42 531.84 245.5 263.4 346.81 659.49 890.34 623.78 781.42 477.41 727.98 569.59 508.67 1459.22 918.99 928.98 756.37 630.99 1183.93 225.6 664.58 301.27 412.37 461.19 1475.91 1246.62 540.15 658.11 754.32 753.16 832.23 465.75 559.13 649.68 453.75 616.32 587.94 820.23 336.94 542.56 228.36 308.25 0.2 872.39 896.85 384.36 502.59 708.48 667.72 539.75 252.71 755.85 481.65 304.78 465.39 221.33 743.78 212.04 618.7 269.74 264.93 338.77 525.48 636.62 310.86 800.85 387.99 455.89 1081.76 469.53 isoAcCa(4:0) 185.61 220.1 190.68 215.14 155.07 142.44 184.8 320.62 99.97 189 131.14 205.33 171.02 141.04 286.56 115.13 167.99 131.57 163.39 501.99 303.38 300.09 435.33 240.98 307.26 230.32 587.68 181.1 387.51 222.61 361.64 334.3 198.93 451.52 215.84 216.54 274.63 268.49 220.93 250.51 223.26 186.59 156.63 217.73 142.96 247 72.42 189.51 0.26 217.33 161.9 106.13 291.85 167.22 159.17 151.07 169.29 247.54 160.76 160.87 275.85 135.24 210.08 211.54 253.16 99.54 166.98 122.53 174.36 165.25 147.56 301.93 105.9 152.42 233.53 175.23 AcCa(5:0)2 277.99 231.7 184.95 193.13 314.37 260.37 186.69 448.24 137.13 159.05 269.63 315.31 321.3 356.18 339.86 233.68 243.17 210.48 341.45 558.6 306.64 358.77 312.7 310.15 527.13 210.88 522.48 183.72 233.86 290.02 675.41 397.81 247.83 270.11 348.07 249.36 317.58 277.94 213.2 311.73 232.28 248.65 285.09 350.22 183.98 374.57 89.79 198.89 0.57 340.77 301.62 172.51 259.9 324.36 225.15 188.49 141.33 338.9 183.53 172.4 258.25 119.8 279.18 168.19 441.74 183.62 158.94 174.47 269 271.18 161.11 409.29 163.33 169.49 494.94 315.32 AcCa(5:0)4 402.19 335.06 516.32 461.39 344.39 421.39 468.62 689.99 154.51 378.83 575.3 551.88 560.71 793.33 610.44 202.65 580.86 348.94 530.72 524.22 447.73 489.48 666.84 488.75 860.44 436.87 613.69 351.57 391.66 440.8 1336.18 582.63 499.08 409.52 301.26 620.09 588.5 553.61 350.34 520.58 585.36 604.95 480.48 883.24 464.3 535.39 119.53 412.27 0.26 710.23 638.08 354.28 468.03 430.99 591.23 350.45 331.53 587.82 335.97 273.55 436.82 224.3 510.5 416.39 485.62 220.43 367.78 334.46 536.27 415.15 408.92 628.32 197.39 551.76 757.81 591.16 AcCa(3:0-DC) 20.14 15.57 15.73 15.83 19.89 15.7 17.37 16.02 17.83 16.33 17.07 17.09 27.72 29.39 25.21 17.61 18.96 22.09 30.07 22.05 18.84 17.75 14.63 15.81 19.19 17.71 16.73 20.33 18.09 18.07 18.9 19.71 15.66 16.3 19.24 16.79 22.74 18.22 16.87 17.6 18.52 14.27 16.8 19.45 15.23 14.89 17.4 18.58 0.47 19.15 18.53 13.56 16.4 21.59 17.18 20.32 15.99 23.08 18.45 17.01 28.33 13.88 21.98 17.77 15.15 15.78 17.05 15.71 18.39 25.15 16.1 27.22 16.39 16.53 26.58 24.54 AcCa(6:1) 7.76 7.24 4.75 5.54 8.98 6.81 3.63 4.73 6.86 6.4 5.79 8.35 10.45 7.35 7.14 7.11 2.96 10.64 4.68 10.71 8.4 6.62 7.23 11.7 7.95 4.05 6.46 7.74 9.34 7.17 11.21 13.61 8.09 11.69 8.86 3.67 12.75 6 8.52 5.82 5.57 5.86 11.59 7.3 4.18 4.76 6.48 6.31 0.33 9 11.13 6.94 7.92 7.65 3.22 9.51 4.81 6.51 5.45 5.8 6.45 8.1 6.58 5.2 4.42 6.11 6.14 4.61 16.97 10.69 7.24 6.95 6.65 3.88 8.7 11.09 AcCa(6:1)1 0.86 0.34 1.85 1.32 1.01 1.61 1.46 1.65 0.49 1.31 0.81 1.96 0.95 1.19 0.71 1.55 1.22 0.63 0.46 4.68 0.72 1.15 2.52 2.38 1.22 1.36 2.37 0.98 2.92 1.06 1.83 2.99 1.06 3.14 1.4 1.56 2.07 1.94 1.84 0.23 2.83 0.56 0.73 0.51 0.71 2.43 0.23 0.57 0.05 1.35 2.05 0.72 1.81 0.59 0.56 1.53 1.2 0.66 0.2 1.85 0.9 1.42 1.76 2.12 1.18 0.46 0.98 0.96 1.14 1.25 1.53 1.36 1.22 1.63 1.31 0.53 AcCa(6:1)2 0.52 0.37 0.75 0.91 0.62 0.93 0.8 0.88 0.44 0.96 0.41 0.87 0.43 0.09 0.6 0.66 0.09 0.47 0.28 3.77 0.69 2.9 2.94 3.89 1.45 0.77 4.31 0.75 4.81 0.8 2.39 3.34 1.12 3.64 1.92 1.21 0.49 0.48 3.62 0.42 1.85 0.09 0.54 0.68 0.22 1.37 0.22 0.51 0.18 1.12 0.67 0.67 1.21 0.09 0.22 0.69 1.09 0.46 0.09 0.95 0.09 1.05 0.09 0.59 0.52 0.69 0.36 0.66 1.23 0.4 1.14 0.73 0.91 0.5 0.5 AcCa(6:0) 44.07 23.56 43.02 50.39 40.82 53.47 51.3 77.17 41.03 46.74 29.21 45.7 65.52 28.77 49.02 46.44 34.74 49.52 42.97 157.94 45.03 75.16 98.16 117.26 86.48 78.28 163.41 89.54 109.9 87.43 65.82 157.3 62.46 148.71 87.88 64.49 85.03 95.09 103.82 22.96 113.28 25.72 38.5 43.27 39.93 56.83 14.22 57.81 0.06 56.82 53.82 28.99 91.63 51.97 26.74 83.64 55.15 75.5 26.72 68.86 45.94 43.92 43.54 80.23 41.69 40.6 40.86 40.67 64.66 61.89 45.5 50.65 32.45 44.17 105.41 42.78 AcCa(4:0-DC) 52.1 22.69 23.95 28.53 47.46 37.23 26.43 49.67 22.76 22.12 23.02 33.2 34.45 43.58 43.41 24.78 35.82 34.89 36.93 110.5 40.35 41.09 40.06 45.85 68.67 36.32 71.41 31.07 37.16 40.87 65.69 44.4 40.72 48.06 40.42 46.34 46.76 43.29 50.37 29.48 30.81 35.85 42.07 50.2 30.69 47.09 21.05 27.18 0.41 45.75 31.85 33.45 39.35 41.41 42.85 33.11 28.22 55.59 21.33 23.89 41.34 28.65 44.35 27.35 45.94 22.58 23.16 22.85 34.88 30.77 29.04 39.86 22.21 26.35 46.48 34.3 AcCa(8:1) 343.21 156.43 331.87 304.81 231.83 315.82 170.68 390.26 382.91 368.07 175.63 341.1 412.26 368.08 304.4 382.17 143.02 393.29 200.6 393.64 197.32 392.04 340.59 347.14 337.29 176.6 386.38 451.19 383.8 217.2 434.45 601.06 536.98 517.51 418.61 223.25 500.2 323.26 577.31 173.13 335.35 328.92 412.28 312.52 186.37 357.05 418.41 344.4 0.12 469.59 596.94 549.19 437.85 418.53 204.03 446.23 386 348.8 168.84 315.8 250.89 300.7 239.15 215.5 271.2 269.46 311.99 159.08 508.52 490.84 487.09 292.15 312.12 239.48 336.66 317.49 AcCa(8:0) 106.64 38.15 54.35 84.89 91.52 81.12 63.18 143.58 89.4 68.84 40.39 71.58 215.59 46.88 94.4 130.19 43 118.76 90.32 353.04 71.72 104.68 146.56 180.45 106.8 98.91 230.12 169.03 126 122.11 95.17 378 107.4 206.57 157.7 59.07 126.99 119.6 161.98 43.05 142.99 31.11 59.9 56.23 47.68 81.73 26.39 80.21 0.87 86.21 108.48 36.11 137.45 121.56 26.23 175.66 69.62 129 57.94 118 93.64 67.77 61.17 96.81 68.05 82.34 52.07 65.51 116.36 195.17 70.67 92 66.04 56.93 269.59 64.26 AcCa(6:0-DC) 17.94 17.46 18.24 18.24 18.07 16.53 17.98 18.34 17.76 18.1 17.62 17.92 19.36 18.32 17.26 17.64 17.62 18.77 18.64 19.82 17.06 17.69 18.21 18.29 17.15 16.82 19.23 19.21 17.47 17.8 17.45 20.18 17.53 18.52 18.52 17.77 17.02 18.2 20.13 17.53 17.97 17.24 17.34 17.09 18.07 17.94 16.11 18.32 16.86 17.55 18.21 16.93 18.81 18.12 17.21 18.89 18.04 17.41 16.55 17.06 17.75 18.5 16.45 17.2 18.13 16.76 17.62 16.64 18.02 19.01 16.61 18.43 17.24 18.75 19.06 17.24 AcCa(10:2)1 12.58 12.46 10.32 7.22 7.2 9.38 3.58 9.51 12.36 9.31 7.34 16.12 12.62 12.06 12.36 10.05 6.76 14.73 9.25 13.65 14.25 17.19 11.5 9.41 10.21 4.14 11.13 18.33 13.76 9.94 23.03 20.87 17.08 21.01 13.76 10.31 19.33 12.36 18.46 9.25 10.27 7 11.03 7.54 3.44 8.06 12.78 9.58 0.08 14.25 15.04 12.7 14.18 10.78 6.54 14.57 12.4 11.18 8.09 12.59 9.32 6.84 8.21 4.39 10.35 9.22 7.43 5.05 29.54 14.16 14.43 11.72 7.96 11.07 9.56 13.77 AcCa(10:2)2 10.57 3.47 6.02 6.14 6.96 8.76 4.84 12.56 12.58 6.26 3.74 9.03 17.89 4.24 10.04 11.74 3.48 12.01 8.4 30.41 6.48 13.21 11.91 23.74 9.43 7.09 22.5 22.34 16.61 19.07 11.22 36.75 13.25 28.28 14.73 6.75 13.34 13.6 20.24 3.39 16.33 2.97 10.14 4.63 3.98 6.44 6.09 7.34 0.1 8 10.68 5.51 19.48 9.74 2.44 15.51 9.07 11.4 3.96 12.4 6.24 7.55 5.19 7.85 7.04 27.57 5.65 6.33 16.44 19.51 8.92 9.27 6.02 6.79 12.79 7.09 AcCa(10:2)3 1.65 1.66 3.08 3.97 1.24 4.84 2.89 4.93 2.91 3.93 1.02 5.77 1.64 0.46 0.84 4.98 0.87 2 1.33 5.76 2.29 4.93 8.65 11.77 1.57 2.39 8.64 4.11 8.45 2.7 3.96 5.75 6 11.07 2.19 2.97 1.8 3.68 13.21 0.75 3.19 1.85 4.1 0.8 1.44 3.51 2.3 2.01 0.23 3.88 2.91 4.29 7.91 1.58 0.9 2.58 5.77 1.78 0.92 4.57 0.64 5.03 0.79 1.73 2.84 3.29 1.69 4.16 9.37 2.53 5.24 1.6 3.87 4.7 1.53 0.93 AcCa(10:2)4 3.01 3.15 2.73 2.71 2.91 2.7 1.88 2.85 3.06 2.6 2.54 3.59 3.7 2.75 2 3.34 1.32 2.72 2.92 7.31 6.46 6.95 5.01 4.37 4.12 2.66 5.5 8.58 7.47 5.78 7.66 9.63 6.41 5.2 6.86 2.64 7.68 5.14 5.73 3.89 4.06 2.03 2.88 2.03 1.66 2.2 3.32 3.17 0.585 2.96 3.94 3.23 2.97 4.27 1.17 3.76 3.93 2.94 2.55 3.81 2.8 1.74 2.15 2.6 1.75 5.49 2.55 2.31 5.12 3.71 3.25 2.61 2.21 1.66 2.22 3.41 AcCa(10:1)1 2.24 4.52 1.39 2.19 1.5 4.31 1.73 2.41 2.17 2.22 1.98 3.03 3.06 2.39 3.44 3.02 2.94 2.66 2.72 4.8 5.38 3.84 4.23 2.07 6.98 2.71 3.37 3.78 4 4.09 5.31 4.23 3.3 5.34 4.62 3.83 3.49 3.14 2.68 2.47 2.76 1.86 2.81 3.67 1.76 1.98 2.06 2.56 0.2 2.64 2.87 1.91 3.1 3.72 2.54 2.21 2.12 3.93 2.24 3.23 2.62 1.2 3.73 1.86 2.56 3.46 2.22 1.69 3.19 2.5 2.08 3.21 3.36 2.52 2.89 3.26 AcCa(10:1)2 58.8 39.23 30.43 28.45 24.37 37.8 15.36 36.06 40.45 29.72 30.14 64.54 42.55 36.94 43.22 33.16 31.61 51.01 41.45 106.19 100.68 64.62 45.57 39.04 45.9 18.51 52.07 78.35 63.68 139.86 97.33 412.27 75.51 77.57 58.66 49.55 85.85 57.54 83.62 36.99 41.56 25.96 41.02 33.45 15.32 32.47 41.18 37.28 0.09 59.92 55.04 43.42 54.75 39.9 28.96 57.53 50.9 40.28 28.81 41.33 32.77 22.06 25.95 88.29 30.48 31.43 23.67 21.74 107.45 45.63 44.25 34.38 28.02 40.11 42.55 54.12 AcCa(10:1)3 115.16 55.43 65.16 91.85 82.96 99.14 66.11 122.44 122.35 81.64 48.48 106.25 176.56 49.43 91.58 124.87 44.74 120.67 81.61 323.64 98.08 122.38 160.48 230.29 110.08 88.44 217.23 216.51 179.76 137 118.83 397.08 146.46 253.68 137.91 70.12 113.8 141.46 220.44 49.63 137.07 41 94.09 51.54 43.98 70.7 58.01 91.28 0.16 106.7 116.32 66.93 175 95.59 31.35 155.77 120.08 117.27 53.65 132.33 82.97 88.69 57.78 85.78 75.28 105.41 61.86 82.08 192.81 180.34 105.05 78.9 87.43 71.93 141.38 100.08 AcCa(10:1)4 9.36 9.13 15.37 29.24 6.6 28.66 22.27 31.94 14.61 23.13 6.35 28.61 7.73 3.04 5.23 24.02 5.96 9.39 4.28 32 11.09 21.59 59.3 52.68 10.61 18.89 52.95 19.34 43.66 15.59 17.63 32.36 29.02 54.87 12.91 13.77 7.98 21.47 79.38 5.07 15.96 12.81 15.78 5.19 9.65 25 8.9 14.42 0.23 24.46 15.46 19.74 38.7 8.94 8.14 14.89 39.21 9.1 5.67 24.86 4.36 26.85 5.07 14.43 17.53 16.18 10.23 26.96 51.31 10.72 24.93 3.9 22.19 26.61 7.25 4.23 AcCa(10:0) 265.33 111.09 158.66 220.14 243.43 232.24 182.61 436.38 227.53 185.91 109.38 186.18 513.41 144.2 230.6 373.56 123.16 272.14 246.85 865.35 188.04 279.24 400.33 465.45 261.83 265.36 610.83 458.48 342.2 314.41 266.11 990.28 287.76 454.39 409.62 156.61 283.46 302.2 413.69 118.57 382.5 91.03 152.32 139.21 143.34 252.69 53.38 211.52 0.09 255.18 303.04 108.96 330.22 297.92 85.53 430.77 213.94 331.68 162.71 326.24 251.64 183.73 153.29 266.04 196.23 232.94 141.28 187.97 338.74 447.62 194.55 229.35 172.42 163.66 629.7 158.55 AcCa(12:1)1 36.97 12.57 17.32 25.4 22.49 25.68 21.32 58.88 18.6 18.54 12.48 22.92 48.54 14.86 22.24 35.04 16.28 28.57 35.7 173.73 32.51 55.42 57.24 87.5 33.46 36.76 138.45 65.58 86.29 67.17 33.68 173.98 51.05 74.33 68.17 44.95 40.6 75.94 95.5 12.95 92.68 10.54 16 16.63 14.86 27.48 7.07 26.4 0.2 26.73 27.87 14.53 42.87 28.97 11.74 44.46 39.85 50.74 19.82 46.34 23.12 23.39 13.06 30.7 23.9 23.36 14.83 25.78 53.79 55.66 39.74 17.01 21.86 29 59.21 20.1 AcCa(12:1)2 5.05 3.77 7.32 11.7 3.53 8.59 12.73 18.58 5.64 9.94 3.96 10.04 3.6 1.55 2.47 10.09 2.8 4.01 3.95 17.83 4.9 12.14 26.05 21.19 5.97 13.87 30.8 11.14 18.45 9.47 8.05 17.47 13.27 18.92 9.32 8.42 4.78 12.12 28.06 2.14 10.73 6.03 5.2 2.79 7.8 13.33 2.38 6.73 0.06 10.81 7.23 9.79 11.69 4.85 4.25 6.33 18.08 5.52 2.19 11.17 2.76 10.89 2.31 9.56 8.35 10.42 5.37 11.03 20.14 4.6 13.26 2.42 7.38 11.76 5.01 2.92 AcCa(12:1)3 5.31 4.12 9.08 12.67 3.56 10.76 9.75 16.59 4.9 8.84 3.06 8.29 3.68 2.08 3.29 9.41 3.73 3.94 3.27 16.96 5.69 12.27 26.46 22.41 6.25 9.99 28.69 9.86 18.21 10.47 9 17.03 13.92 22.17 7.56 8.7 4.01 11.52 33.37 2.1 10.8 4.57 4.94 2.89 5.53 10.9 2.4 5.25 0.15 8.35 6.16 9.17 11.95 4.63 4.12 5.01 15.26 6.05 2.68 11.75 3.11 9.22 2.98 8.84 7.44 7.66 4.68 10.57 16.88 4.45 12.69 2.48 7.81 11.34 5.78 2.65 AcCa(12:0) 58.78 27.28 29.7 34.65 48.07 41.82 34.98 105.98 30.06 32.89 22.4 33.04 91.39 30.5 32.55 49.93 22.95 44.09 57.25 246.32 63.71 97.07 70.87 92.36 57.07 60.26 188.8 100.19 92.76 84.49 64.24 310.87 79.48 92.91 92.06 48.46 71.66 134.01 78.46 21.3 108.85 13.76 31.35 21.55 22.53 68.91 11.11 41.5 0.23 46.86 54.33 22.13 44.56 47.6 15.5 72.98 47.56 89.11 32.26 60.22 36.29 31.77 23.16 53.44 52.29 40.86 26.65 36.11 60.7 86.83 49.89 37.8 28.26 31.02 130.6 29.47 AcCa(13:0) 8.21 2.09 11.3 3.46 5.68 4.29 5.01 6.7 3.75 4 2.74 7.49 5.96 6.06 6.93 8.05 4.34 8.79 16.05 17.43 4.45 22.44 5 6.5 7.25 8.08 13.46 6.4 9.24 7.84 16.71 14.53 10.86 11.2 12.83 7.14 18.15 13.78 8.76 3.8 16.18 2.69 3.84 3.83 4.91 7.97 4.17 5.27 0.02 7.72 4.99 5.33 5.47 7.2 3.2 9.85 11.85 9.81 3.54 12.05 5.11 2.66 4.5 4.57 8.39 2.7 4.31 3.19 6.73 5.65 5.46 5.36 7.52 3.91 12.74 6.86 AcCa(14:2) 8.76 3.72 4.09 4.94 5.16 6.82 4.72 12.11 6.18 5.4 3.15 6.11 11.8 3.1 5.34 7.23 3.49 9.24 7.48 42.42 9.89 11.77 9.5 19.19 8.03 6.43 35.66 18.95 20.96 14.9 8.21 45.59 11.01 20.88 13.39 9.63 12.79 18.69 19.02 3.75 22.4 1.92 6.59 3.48 3.07 6.2 3.15 7.62 0.02 7.1 7.68 3.66 12.4 5.84 2.43 12.83 8.56 13.28 4.78 9.8 4.39 5.23 3.2 7.83 7.78 6.28 3.87 6.61 14.22 13.31 9.37 4.13 5.5 5.56 11.23 6.96 AcCa(14:1)1 12.2 4.91 5.83 9.83 9.84 10.12 10.31 24.45 6.57 7.67 5.01 7.71 11.82 4.11 6.15 8.92 5.97 10.35 10.77 56.4 13.94 20.22 20.02 28.28 14.46 13.5 61.9 25.71 42.1 25.44 12.33 66.85 21.29 28.74 22.38 17.45 21.5 41.21 29.52 3.56 27.61 3.46 7.57 5.41 5.74 11.41 2.33 11.54 0.03 9.99 8.35 5.51 11.66 7.63 4.46 14.4 15.36 18.07 5.8 15.04 7.84 8.81 4.72 14.63 11.76 8.08 6.8 8.86 16.08 16.37 12.72 5.87 6.54 8.55 23.5 8.15 AcCa(14:1)2 0.46 0.23 0.67 0.85 0.4 1.16 0.9 1.09 0.27 0.54 0.19 0.91 0.26 0.29 0.23 0.64 0.31 0.53 0.31 1.28 0.54 1.11 1.65 1.53 0.66 0.75 2.6 0.58 2.01 0.7 0.46 1.79 1.22 1.5 0.77 0.95 0.43 1.35 2.41 0.2 0.7 0.3 0.41 0.22 0.4 0.66 0.24 0.51 0.09 0.58 0.54 0.56 0.58 0.43 0.37 0.73 1.01 0.49 0.31 0.96 0.21 0.82 0.18 0.57 0.66 0.39 0.32 0.85 1.1 0.46 1.18 0.3 0.54 0.78 0.34 0.2 AcCa(14:0) 2.64 1.93 2.84 2 2.12 2.37 2.53 3.79 2.03 2.11 2.41 2.16 3.17 2.02 1.75 2.39 2.08 2.99 2.37 9.26 4.03 4.91 4.2 4.1 3.58 3.04 8.29 4.7 5.61 5.06 3.45 11.72 4.36 5.31 4.56 4.11 4.66 7.52 3.75 1.63 4.47 1.57 2.34 1.96 1.97 3.38 1.78 2.21 1.13 2.72 2.7 1.72 2.94 2.4 1.96 2.82 2.62 2.92 1.97 2.54 1.92 1.92 1.82 2.56 2.41 2.38 2.09 2.05 2.6 2.92 2.63 1.75 2.08 2.14 3.28 2 AcCa(14:2-OH) 0.04 0.08 0.11 0.17 0.03 0.18 0.11 0.18 0.05 0.09 0.06 0.14 0.07 0.03 0.04 0.11 0.03 0.05 0.07 0.18 0.07 0.21 0.46 0.44 0.07 0.08 0.39 0.12 0.36 0.12 0.1 0.22 0.24 0.4 0.08 0.17 0.07 0.13 0.65 0.04 0.12 0.06 0.09 0.03 0.04 0.12 0.03 0.04 0.01 0.08 0.07 0.16 0.21 0.09 0.04 0.09 0.21 0.05 0.02 0.1 0.08 0.18 0.06 0.05 0.13 0.13 0.06 0.18 0.29 0.04 0.27 0.09 0.2 0.18 0.06 0.17 AcCa(14:1-OH) 0.17 0.1 0.16 0.17 0.11 0.12 0.07 0.18 0.11 0.09 0.11 0.21 0.07 0.08 0.09 0.08 0.07 0.12 0.15 0.77 0.27 0.6 0.33 0.5 0.29 0.11 0.41 0.35 0.22 0.39 0.55 0.32 0.22 0.29 0.23 0.13 0.17 0.3 0.25 0.11 0.38 0.09 0.12 0.12 0.04 0.27 0.08 0.07 0.02 0.22 0.08 0.1 0.14 0.11 0.05 0.13 0.26 0.37 0.04 0.24 0.1 0.1 0.1 0.08 0.16 0.1 0.08 0.14 0.21 0.07 0.07 0.07 0.1 0.09 0.26 0.14 AcCa(15:0) 4.75 1.19 5.46 1.81 4.08 3.31 2.57 2.8 1.91 2.5 2.11 4.06 5.36 2.63 5.95 3.42 3.28 6.4 9.73 13.7 2.7 18.41 4.97 7.72 7.97 3.51 6.66 5.86 10.09 5.54 15.19 16.11 9.26 11.88 15.6 5.86 18.69 12.7 6.17 1.88 11.02 2.15 4.58 3.26 2.45 5.92 2.95 4.56 0.06 7.19 6.49 3.79 4.7 8.72 2.74 7.64 10.81 4.6 1.43 5.8 3.52 1.84 3.02 2.14 3.98 2.17 2.68 1.68 5 4.51 2.08 3.93 3.23 2.75 7.05 5.06 AcCa(14:0-OH) 1.36 1.53 2.72 3.89 1.22 3.79 3.81 4.53 1.3 2.26 0.94 2.59 0.58 0.53 0.65 2.11 1.13 1.1 0.68 3.68 2.06 4.18 5.61 4.53 2.17 3.19 7.77 2.28 4.63 1.9 2.91 3.28 3.35 4.98 1.95 2.78 1.28 3.59 6.62 0.79 2.23 2.25 1.62 0.89 1.99 3.96 1.28 1.42 0.21 2.43 1.75 3.12 2.21 1 1.36 1.26 3.18 1.36 0.81 3.19 0.51 2.35 0.94 2.23 2.07 2.02 1.42 2.49 2.74 1.34 3.02 0.55 2.1 2.97 1.13 0.42 AcCa(16:2) 9.03 4.16 3.7 3.26 5.3 5.78 3.76 8.79 4.11 3.6 4.09 3.57 10.37 4.06 4.34 4.03 3.1 7.66 6.18 52.91 16.62 13.43 8.06 13.34 8.94 6.64 27.94 19.52 20.72 13.03 8.04 66.28 11.46 19.64 12.39 10.46 18.16 29.92 14.93 3.4 14.48 2.66 3.96 3.7 2.33 3.47 2.84 4.61 0.19 5.17 7.38 3.59 6.82 3.87 3.02 8.86 7 9.38 3.84 7.74 5.17 4.36 3.35 6.91 5.75 4.49 4.05 4.61 8.64 13.49 7.52 3.1 3.38 3.6 8.13 5.55 AcCa(16:1) 20.54 9.21 9.35 13.46 14.91 15.5 15.5 21.63 10.71 13.11 11.45 10.71 16.84 9.33 13.39 10.78 11.19 14.49 14.24 94.29 24.88 29.81 33.42 31.7 24.72 22.54 61.36 32.25 56.39 48.09 18.47 90.05 27.94 44.76 34.2 30.67 32.29 57.73 35.67 7.95 30.08 9.42 9.65 12.63 9.54 13.61 5.67 17.56 0.18 14.39 14.65 9.73 23.42 11.47 12.9 16.92 17.58 27.41 8.34 19.26 13.14 13.67 12.07 21.36 13.7 13.04 12.49 15.19 20.5 17.44 17.16 8.6 8.02 14.13 21.6 11.52 AcCa(16:0) 73.16 54.65 54.93 55.97 59.01 75.44 56.9 64.76 45.93 70.23 48.47 52.66 51.53 42.79 49.01 44.66 50.32 56.6 51.5 181.95 81.85 86.39 75.76 73.23 79.5 68.14 109.13 77.19 117.25 102.06 74.69 132.58 73.88 88.79 77.23 69.32 85.97 102.8 100.68 45.72 74.36 45.36 47.75 58.03 43.83 56.64 42.39 69.66 1.15 62.48 57.17 45.61 61.04 49.72 49.23 60.15 62.89 74.82 48.87 60.3 51.64 44.53 50.86 57.36 44.67 49.83 61.27 53.21 56.29 46.76 55.13 53.69 32.38 49.57 72.29 43.07 AcCa(16:2-OH) 1.03 1.13 2.48 2.64 0.72 3.02 2.36 2.71 1.27 1.95 0.83 2.49 0.58 0.39 0.52 1.27 1.05 0.9 0.47 3.82 2.1 3.62 4.61 4.47 1.83 2 6.67 2.11 4.71 2.05 2.54 3.54 3.11 5.19 1.42 2.42 1.29 2.51 6.42 0.55 2.2 1.13 1.08 0.78 1.14 2.32 1 0.98 0.165 1.5 1.32 1.59 2.47 0.47 0.99 1.18 2.78 0.87 0.68 2.44 0.42 2.27 0.5 1.57 2.1 1.46 1 2.1 3.12 0.9 3 0.33 1.67 2.92 0.72 0.45 AcCa(17:1) 16.32 5.7 8.41 6.87 7.69 14.02 11.09 11.61 11.61 13.71 10.36 7.39 6.91 4.41 20.27 9.56 9.43 4.69 8.6 28 8.69 14.6 12.83 12.86 18 11.64 14.49 19.68 20.59 15.53 11.59 26.74 9.75 15.39 21.66 8.66 18.4 15.96 15.44 8.01 15.19 10.56 7.59 7.5 4.48 10.27 8.22 9.47 1.24 9.72 13.98 9.74 9.82 10.88 7.07 12.88 11.72 10.74 10.05 11.26 11.55 7.18 14.49 7.53 4.08 5.54 11.33 8.12 9 7.21 8.22 9.81 14.95 10.58 18.74 8.33 AcCa(16:1-OH) 0.15 0.05 0.25 0.31 0.1 0.27 0.32 0.32 0.12 0.16 0.11 0.29 0.1 0.025 0.07 0.16 0.08 0.1 0.025 0.3 0.19 0.34 0.49 0.5 0.16 0.29 0.57 0.21 0.63 0.22 0.2 0.39 0.26 0.55 0.25 0.31 0.18 0.33 0.6 0.025 0.21 0.16 0.14 0.1 0.15 0.21 0.07 0.11 0.025 0.14 0.12 0.18 0.2 0.07 0.13 0.13 0.23 0.12 0.08 0.18 0.08 0.23 0.12 0.23 0.15 0.13 0.11 0.23 0.26 0.06 0.31 0.07 0.18 0.21 0.12 0.025 AcCa(17:0) 11.39 5.03 11.58 5.77 7.12 11.61 9.89 4.79 9.43 10.12 4.99 6.4 10.11 3.97 5.25 7.96 9.59 10 11.18 22.09 11.43 12.54 11.64 11.49 12.63 9.74 10.67 11.42 16.76 16.91 9.59 21.8 8.45 12.09 12.85 8.04 14.42 15.33 18.03 11.07 13.65 5.9 6.23 9.2 10.54 6.69 6.79 9.61 0.67 7.95 6.4 4.93 12.39 8.48 10.37 4.93 13.44 13.09 6.97 6.88 6.6 5.55 5.38 5.34 6.23 9.41 6.82 8.26 11.73 5.86 9.02 8.25 6.36 6.74 10.22 9.63 AcCa(16:0-OH) 0.05 0.09 0.18 0.13 0.07 0.25 0.24 0.17 0.04 0.13 0.05 0.12 0.015 0.015 0.03 0.11 0.05 0.07 0.015 0.21 0.12 0.24 0.34 0.26 0.1 0.18 0.36 0.1 0.39 0.12 0.11 0.22 0.21 0.22 0.1 0.14 0.11 0.19 0.34 0.05 0.13 0.12 0.1 0.08 0.11 0.19 0.08 0.1 0.015 0.18 0.12 0.19 0.13 0.07 0.1 0.07 0.24 0.05 0.015 0.12 0.015 0.11 0.06 0.14 0.11 0.12 0.05 0.18 0.16 0.08 0.16 0.015 0.14 0.16 0.08 0.015 AcCa(18:3) 38.73 19.24 18.56 16.29 23.46 28.95 13.23 19.65 43.2 26.58 24.83 28.55 41.87 13.21 24.23 22.74 16.36 25.41 8.06 128.2 35.43 44.47 28.96 53.23 35.88 23.65 59.42 70.04 71.76 68.62 45.33 103.67 36.12 65.48 52.66 27.88 62.07 51 62.26 17.39 54.65 9.47 39.7 13.83 8.78 18.81 25.55 21.47 0.99 21.33 35.85 17.19 40.48 16.36 15.94 34.33 27.97 43.18 11.91 31.96 20.81 20.08 27.46 21.83 23.1 33.28 17.93 18.79 30.63 48.81 36 28.15 9.77 28.66 33.72 29.52 AcCa(18:2) 926.86 547.3 516.17 472.01 622.23 681.03 480.34 571.63 924.06 751.99 651.15 701.11 871.65 520.07 715.37 479.44 478.93 833.45 726.07 2358.33 1033.08 973.96 699.13 1001.82 836.7 579.25 1101.43 1352.29 1608.57 1272.7 881.43 2478.86 848.59 1370.34 932.14 778.93 1235.47 1299.11 1280 530.48 958.31 428.09 611.78 556.26 469.1 414.17 715.6 823.88 30.06 641.81 686.18 495.46 801.23 386.05 558.23 766.26 740.98 1037.19 489.86 656.32 604.19 569.64 650.97 496.52 532.96 654.02 680.74 698.99 909.52 902.74 728.04 621.22 364.8 540.5 15.03 759.6 AcCa(18:1) 1041.75 545.03 542.63 702.51 806.42 806.7 792.4 767.98 825.94 847.24 691.73 661.35 712.2 483.61 655.58 544.54 686.71 719.11 744.76 2957.83 1061.25 1182.15 1258.48 1369.61 1185.02 932.15 1550.63 1409.54 2359.03 1719.06 878.61 2404.64 1041.61 1335.68 1396.14 1166.82 1258.53 1867.32 1577.28 485.82 1059.61 572.65 612.95 658.36 725.08 599.29 511.04 1000.06 0.33 706 622.81 529.21 739.98 549.63 642.48 759.43 934.88 1508.9 536.05 694.1 774.31 628.76 668.97 854.88 522.16 737.77 826.54 782.66 868.82 688.09 788.79 639.41 384.36 682.33 969 712.27 AcCa(18:0) 3.58 2.08 2.39 2.26 2.42 2.83 2.33 2.77 2.13 2.76 2.02 2.2 2.41 1.76 2.11 1.94 2.42 2.55 2.44 8.03 4.13 4.21 3 3.38 3.58 2.71 3.92 3.33 4.04 3.56 3.03 6 2.66 3.71 3.25 3.36 3.93 4.17 4.73 2.62 3.06 2.24 2.69 2.8 2.25 2.83 2.37 2.96 0.27 2.73 3.41 2.52 2.85 2.97 3.14 3.13 3.25 3.32 2.1 2.31 2.24 1.93 2.03 2.38 1.88 2.84 2.28 2.48 2.49 2.27 2.06 1.98 1.73 2.35 3.03 1.92 AcCa(17:0-OH) 11.63 13.34 13.22 11.58 13.78 11.58 14.18 12.69 13.94 13.43 15.11 17.93 12.36 11.83 15 13.2 12.38 12.58 11.09 13.43 13.18 14.83 13.81 13.96 14.66 11.96 13.29 14.04 12.5 14.22 14.7 12.44 15.28 12.18 16.66 13.96 13.11 13.54 11.92 16.15 12.42 13.35 12.37 11.87 14.43 13.75 14.28 13.73 11.5 11.25 13.46 16.69 12.76 11.44 14.05 11.62 13.95 15.64 15.6 16.98 11.68 12.87 11.83 10.45 14.03 13.14 11.95 13.79 13.15 14.42 12.23 13.91 12.24 14.93 14.07 13.32 AcCa(18:3-OH) 0.43 0.38 0.35 0.36 0.41 0.36 0.28 0.37 0.42 0.36 0.38 0.34 0.54 0.48 0.42 0.4 0.32 0.43 0.55 0.42 0.37 0.33 0.25 0.4 0.4 0.3 0.33 0.42 0.32 0.4 0.41 0.44 0.33 0.39 0.4 0.35 0.42 0.37 0.27 0.38 0.42 0.36 0.36 0.38 0.32 0.36 0.33 0.36 0.23 0.39 0.39 0.29 0.4 0.39 0.33 0.49 0.31 0.44 0.4 0.39 0.48 0.31 0.41 0.37 0.33 0.34 0.35 0.33 0.3 0.34 0.35 0.49 0.35 0.28 0.43 0.52 AcCa(18:2-OH) 0.3 0.25 0.27 0.3 0.32 0.31 0.24 0.32 0.25 0.28 0.22 0.26 0.2 0.18 0.21 0.21 0.29 0.3 0.27 0.42 0.31 0.41 0.46 0.61 0.32 0.28 0.6 0.29 0.7 0.36 0.26 0.59 0.39 0.64 0.34 0.4 0.4 0.49 0.55 0.22 0.34 0.23 0.32 0.23 0.17 0.23 0.15 0.3 0.08 0.21 0.25 0.23 0.35 0.24 0.28 0.23 0.36 0.31 0.2 0.27 0.27 0.28 0.23 0.26 0.27 0.23 0.22 0.29 0.36 0.27 0.41 0.19 0.29 0.27 0.26 0.25 AcCa(18:1-OH) 0.105 0.26 0.4 0.88 0.26 0.92 1.02 1.06 0.34 0.67 0.5 0.44 0.29 0.105 0.105 0.52 0.26 0.23 0.24 1.44 0.74 1.25 2.16 1.79 0.81 1.02 2.15 0.76 2.23 0.89 0.47 1.38 0.99 1.7 0.65 1.19 0.65 1.62 2.19 0.35 1.31 0.44 0.41 0.29 0.55 0.69 0.28 0.45 0.105 0.6 0.43 0.79 0.7 0.23 0.4 0.45 0.82 0.44 0.25 0.58 0.32 0.67 0.105 0.82 0.67 0.51 0.25 1.37 0.76 0.34 0.93 0.21 0.68 0.79 0.28 0.26 AcCa(20:4) 73.52 34.77 57.25 42.78 32.42 62.71 47.26 48.71 45.57 64.43 31.59 58.07 61.73 46.76 57.72 43.8 68.69 59.56 50.25 137.59 68.74 61.82 43.88 63.34 73.61 45.97 49.61 63.44 70.43 62.02 66.99 97.14 53.88 73.03 41.04 75.31 67.69 52.55 80.64 58.34 75.44 34.4 31.91 62.36 46.07 44.1 37.76 52.8 16.23 39.83 62.91 32.02 72.81 40.26 51.88 58.71 46.87 56.57 41.85 48.56 42.44 40.82 72.57 45.43 39.51 49.22 66.32 47.53 58.93 57.88 51.25 43.23 41.01 59.98 64.59 33.19 AcCa(20:3) 35.87 24.34 29.51 21.28 21.81 33.58 22.91 19.42 28.41 29.82 32.63 27.42 27.71 16 32.18 20.36 29.25 37.24 32.76 81.14 48.06 33.32 44.21 39.2 47.09 28.58 29.94 34.28 49.7 39.94 34.53 45.93 25.75 42.1 25.66 36.65 35.75 43.48 47.71 36.78 41.52 17.4 30.05 25.77 21.98 19.26 18.58 26.3 7.33 27.81 22.36 17.42 36.57 20.54 30.94 23.46 32.95 41.13 22.24 26.47 31.77 24.32 35.86 26.15 25.18 28.34 30.21 28.44 40.78 28.6 22.62 28.09 21.16 36.67 27.3 36.59 AcCa(20:2) 46.92 45.14 42.09 31.38 40.54 43.32 49.17 25.85 41.87 61.01 37.07 38.05 51.48 24.02 34.06 49.09 40.68 61.07 82.85 108.74 45.2 36.1 40.76 50.85 66.42 39.34 46.63 99.53 74.76 63.72 49.27 145.73 30.72 45.5 45.47 62.37 48.42 69.87 50.78 52.32 51.9 27.69 36.73 33.79 27.18 21.77 22.39 45.68 10.885 49.09 42.9 31.63 39.92 36.66 31.86 43.65 54.74 59.24 22.74 46.6 33.16 35.07 56.8 68.2 26.45 45.32 36.14 37.02 58.35 39.23 30.02 29.83 23.05 34.94 46.66 39.73 AcCa(20:0) 0.27 0.18 0.17 0.16 0.2 0.18 0.17 0.18 0.17 0.2 0.14 0.17 0.2 0.17 0.15 0.17 0.16 0.19 0.15 0.56 0.36 0.27 0.2 0.29 0.23 0.2 0.23 0.22 0.26 0.22 0.23 0.34 0.17 0.19 0.22 0.18 0.27 0.21 0.33 0.25 0.24 0.16 0.24 0.23 0.17 0.18 0.18 0.23 0.07 0.19 0.25 0.24 0.2 0.24 0.29 0.27 0.23 0.29 0.19 0.23 0.19 0.15 0.17 0.15 0.16 0.19 0.21 0.17 0.2 0.2 0.15 0.14 0.17 0.18 0.2 0.22 AcCa(20:2-OH) 22.32 22.68 27.54 27.74 22 30.05 23.3 23.14 20.13 26.5 27.05 27.66 24.88 25.45 21.6 28.44 23.04 21.53 22.74 23.71 29.43 24.54 20.18 24.23 23.28 20.58 27.28 19.41 20.91 23.35 25.84 26.05 23.91 24.22 22.92 28.48 22.24 23.22 23.67 26.68 24.55 24.35 23.87 24.33 23.06 26.27 19.7 23.3 18.2 29.61 25.26 23.24 29.36 32.66 24.48 21.92 24.23 22.44 23.36 23.82 25.86 22.23 25.92 26.57 25.46 23.02 23.6 23.83 26.23 25.64 22.09 23.93 23.1 30.59 22.09 23.77 LysoPC(0:0/14:0) 96.2 143.08 146.82 78.89 80.01 88.77 155.12 135.06 127.43 58.87 132.68 128.04 79.98 100.15 187.5 139.83 142.85 92.49 84.58 76.92 132.05 132.71 67.48 81.14 74.7 146.67 120.84 93.78 70.39 130.22 131.3 72.37 107.72 158.77 116.64 124.91 84.28 84.59 84.82 132.98 143.51 72.74 109.11 80.82 138.91 148.32 105.66 65.5 1.66 160.39 99.26 126.12 158.12 135.44 149.82 95.2 96.82 74.34 120.08 99.85 63.12 111.46 82.18 100.81 171.99 144.95 71.56 116 119.11 68.63 117.2 91.2 132.03 92.39 61.58 74.09 LysoPC(14:0/0:0) 368.33 598.65 618.21 307.35 367.11 331.58 582.67 581.24 469.7 297.18 631.13 520.4 282.75 314.92 692.32 530.04 571.15 387.16 330.22 329.48 591.69 533.35 260.29 365.98 358.13 580.73 502.87 385.32 265.04 525.34 599.79 319.16 445.65 729.24 429.66 516.07 343.75 325.47 386.38 535.15 598.28 340.42 452.57 352.21 561.64 634.36 422.69 251.79 0.54 705.39 335.37 506.02 714.14 503.85 591.27 347.55 392.1 307.66 482.81 427.1 220.3 466.4 294.8 402.99 753.56 580.63 241.32 525.64 509.73 328.57 475.94 392.71 584.87 385.55 225.34 298.14 LysoPC(16:0p/0:0) 263.59 203.64 130.38 137.28 236.78 121.03 111.58 203.05 270.69 164.25 213.67 182.25 402.36 340.51 318.34 170.22 237.96 274.57 360.43 255.37 245.85 113.45 71.08 91.6 166.32 129.96 132.78 243.32 111.51 211.02 195.14 197.45 124.6 98.04 170.44 124.97 226.43 143.15 126.12 285.73 135.91 116.8 137.51 216.4 142.68 139.63 183.4 184.15 0.76 180.12 169.98 109.9 113.1 178.87 180.48 214.17 121.6 224.62 281.43 146.2 390.2 109.53 283.54 147.39 198.4 216.66 204.66 183.54 141.58 267.45 153.58 224.17 105.34 122.31 197.58 261.67 LysoPC(0:0/15:0) 96.43 135.05 165.31 80.93 94.71 102.9 66.05 94.35 82.5 78.25 126.48 104.06 103.53 74.15 133.54 142.81 83.04 106.22 89.16 63.87 105.81 90.26 59.58 75.48 85.73 74.44 63.52 58.06 69.6 114.35 105.4 103.82 82.26 116.07 107.57 85.38 102.85 78.23 76.35 108.43 128.02 71.85 90.7 86.42 87.76 90.97 78 75.02 0.51 104.45 99.86 85.1 104.4 102.3 108.23 90.44 90.8 64.33 84.05 110.73 75.15 69.62 69.89 67.95 105.08 99.94 62.93 111.54 92.19 103.03 92.18 69.16 127.36 71.52 73.11 62.82 LysoPC(15:0/0:0) 279.53 428.86 479.48 257.42 293.4 280.88 325.59 341.86 291.1 232.86 415.89 326.34 439.08 231.7 472.42 484.24 282.93 376.63 320.3 221.6 379.48 316.25 198.97 223.01 271.28 282.89 280.82 252.07 236.53 337.18 313.42 390.44 232.99 413.71 387.2 263.86 314.66 282.27 241.1 351.45 319.29 271.38 293.86 287.57 270.47 279.43 277.82 220.81 1.52 365.34 356.16 254.95 358.14 380.1 316.21 310.66 281.86 222.44 351.9 356.98 225.61 258.17 251.24 232.88 346.06 277.25 210.21 362.06 377.89 348.92 292.35 278.97 423.52 271.53 257.63 235.11 LysoPC(16:0e/0:0) 395.31 315.35 190.23 167.19 317.95 164.94 107.43 225.3 246.93 209.35 274.34 231.03 489.97 389.96 379.88 259.6 295.01 342.11 437.14 456.53 352.26 158.33 79.48 131.15 213.51 137.27 167.79 205.26 125.88 266.92 249.81 279.9 144.39 135.97 278.05 175.93 244.6 185.54 165.53 417.05 177.14 139.38 186.97 243.11 140.39 159.93 203.75 201.54 0.21 217.53 234.37 154.32 175.94 353.45 274.58 273.38 149.01 319.14 368.26 190.64 547.14 149.69 333.01 174.65 223.16 186.59 253.6 292.37 200.67 385.09 155.43 321.5 169.03 159.83 243.53 311.32 LysoPC(0:0/16:1) 346.72 419.37 279.68 315.33 240.78 279.63 326.26 332.94 304.2 291.58 454.96 353.21 213.91 211.19 463.91 382.34 383.07 277.71 303.98 267.81 338.02 258.22 214.36 243.62 228.54 265.23 244.95 279.9 212.28 356.6 323.96 226.1 216.58 433.51 239.29 312.5 241.31 213.5 283.2 308.78 222.45 260.05 271.01 270.17 268.33 294.54 272.05 236.15 10.24 377.71 242.44 222.34 365.59 314.66 380.15 247.5 249.07 280.75 269.83 1335.47 243.1 223.33 219 277.14 345.25 288.63 215.9 416.62 305.5 241.22 254.09 214.97 287.29 295.46 226.79 184.16 LysoPC(16:1/0:0) 1704.15 2167.3 1537.57 1499.13 1402.05 1387.18 1828.46 1815.42 1445.47 1394.2 2451.75 2040.16 1266.92 1080.6 2262.1 1943.4 1839.52 1575.79 1487.02 1406.83 1761.09 1104.2 1442.13 1299.41 1118.64 1391.49 1329.09 1289.41 1168.57 1775.26 1806.43 1193.44 1055.37 2082.89 1458.56 1690.67 1299.43 1248.44 1512.87 1743.03 1325.96 1382.73 1539.31 1184.95 1636.17 1814.61 1536.46 1150.91 9.35 1968.82 1300.22 1200.47 1897.94 1585.01 2130.83 1396.32 1472.83 1333.69 1455.5 1224.04 1237.21 1267.75 1144.89 1298.59 2037.76 1819.71 1289.63 2412.76 1743.76 1244.41 1418.83 1027.15 1857.19 1622.95 1143.99 1065.81 LysoPC(0:0/16:0) 9229.18 11390.52 9273.83 7688.52 9265.54 8546.43 7576.39 10040.54 10281.7 9295.01 11447.37 10408.9 10445.57 9135.39 11163.4 11036.64 9272.18 11159.56 9995.94 8151.73 9966.54 7213.62 5877.97 6759.01 7812.6 6994.78 6871.13 8262.78 7230.15 8113.79 9589.55 8082.18 6449.84 7758.52 8658.51 7170.34 8033.48 7657.46 6892.92 9535.07 7717.33 6735.33 8332.29 8069.8 7469.24 7804.97 8687.79 7669.06 77.11 9800.37 8372.22 6958.14 7069.76 9390.42 8433.96 9184.73 7926.84 7594.57 10311.11 8252.54 9716.51 7518.51 9085.21 7176.98 9410.52 9043.78 9622.11 9539.2 9004.18 9988.5 8086.89 6856.15 8488.87 7614.19 8258.4 9484.83 LysoPC(16:0/0:0) 49045.54 55746.94 48721.89 41470.96 48484.38 44887.94 48419.35 51161 54623.48 48041.22 55274.22 50560.04 55530.31 47948.29 58914.27 56309.2 50775.89 59895.89 56627.66 42890.73 52289.52 36778.36 33983.46 32359.8 43303.8 39733.69 38656.18 44965.7 45960.31 49342.89 48368.91 46304.85 36560.79 41624.57 46819.73 40452.31 49331.64 41560.45 39053.5 54486.15 42326.16 36021.18 42776.9 49042.15 40958.11 40711.45 46955.01 45614.37 30.67 50546.8 43305.29 36991.73 39428.25 48023.51 47364.43 51356.16 40054.95 47034.68 51132.14 42948.27 49611.29 38546.76 47967.28 38863.06 47221.77 48321.61 48865.84 49602.19 52876.85 50203.87 45301.61 42763.99 50002.8 41392.55 48520.39 48422.38 LysoPC(18:1p/0:0) 28.81 21.43 16.17 11.85 25.2 13.81 12.08 16.96 15.71 17.15 19.11 14.53 38.48 40.97 27.5 21.82 23.71 25.72 32.15 28.37 24.52 13.57 7.06 5.62 18.7 10.96 15.97 21.16 11.39 30.02 28.31 21.63 16.79 9.71 16.45 17.08 23.09 11.63 9.79 26.62 17.45 11.22 14.93 26.46 14.26 12.81 18.97 14.65 2.81 20.96 14.13 12.5 8.39 18.66 17.24 23.4 10.94 19.29 28.13 15.3 42.23 10.96 33.78 15.92 17.95 20.33 20.39 12.18 18.9 31.12 10.14 22.73 13.95 12.77 24.51 27.22 LysoPC(17:1/0:0) 131.28 150.7 161.24 88.74 95.59 85.17 94.12 103.58 92.13 113.88 167.42 133.57 105.2 79.61 182.83 173.4 129.75 117.67 134.51 98.12 138.97 143.6 73.26 96.54 85.84 72.45 81.21 81.21 80.07 104.81 103.12 96.39 91.25 156.2 124.14 102.17 112.1 102.39 102.31 142.48 115.9 83.77 110.51 95.43 104 104.17 90.91 98.9 0.22 118.64 95.69 85.01 129.44 120.11 139.16 110.58 118.18 103.18 104.66 116.04 107.05 74.39 86.18 95.3 161.15 130.24 112.2 137.6 140.66 100.21 98.3 88.33 137.02 103.65 92.1 92.27 LysoPC(18:0p/0:0) 234.97 162.34 98.49 104.96 177.09 84.71 76.07 148.79 161.34 133.54 208.03 144.48 279.37 278.89 225.73 157.6 183.08 198.65 280.64 282.74 224.2 88.9 59.6 96.66 119.24 94.48 114.76 148.39 100.01 191.17 171.39 151.99 102.77 88.29 193.78 106.29 181.4 111.53 91.32 235.85 118.67 83.59 103.3 167.22 78.73 98.68 117.4 154.27 0.21 126.79 115.86 95.55 111.57 202.91 230.16 166.91 92.68 192.63 211.54 90.01 317.41 68.92 198.26 104.92 126.64 141.26 156.87 178.9 111.59 197.35 102.71 186.19 93.51 100.18 153.93 210.35 LysoPC(17:0/0:0) 587.64 675.8 807.58 397.28 591.64 486.5 381.62 552.21 470.51 508.8 571.18 537.07 834.96 560.44 803.49 956.99 582.67 766.99 777.85 527.01 634.58 516.56 291.67 316.33 486.07 371.69 381.65 443.19 425.94 492.52 483.88 661.65 419.83 460.56 832.56 426.99 668.35 501.24 418.99 599.29 798.01 359.87 415.17 525.5 348.02 378.02 423.92 435.48 0.91 531.4 593.63 395.74 412.86 702.84 499.58 666.27 501.01 516.96 576.21 574.36 510.82 331.96 595.72 341.81 474.48 480.2 462.21 580.7 526.38 726.83 483.36 500.05 705.86 423.67 655.22 544.79 LysoPC(0:0/18:3) 121.19 219.1 98.85 76.75 75.7 100.71 83.16 87.18 169.91 99.22 167.42 200.2 121.71 110 166.49 170.05 113.26 157.49 87.69 115.08 154.85 73.82 71.35 115.82 84.45 49.47 66.33 142.2 100.35 120.39 171.74 103.57 91.27 127.86 111.75 72.98 121.41 83.9 91.94 158.45 81.35 77.83 132.19 87.47 108.15 113.7 162.51 80.8 0.25 193.37 129.27 150.23 105.05 110.8 106.16 112.33 67.61 81.94 137.51 78.36 94.41 86.01 85.08 58.35 170.44 162.4 124.79 124.99 193.66 138.83 125.08 85.71 109.3 94.46 100.15 95.98 LysoPC(18:3/0:0) 579.9 1115.3 440.03 352.19 315.72 435.27 413.28 435.73 809.52 525.95 807.36 888.8 615.97 605.65 757.61 686.18 508.77 651.04 358.75 497.34 821.75 366.41 352.45 477.11 430.57 278.62 369.56 636.78 424.42 566.65 734.79 522.46 491.95 633.66 490.67 405.85 515.7 309.99 425.78 842.2 440.3 361.22 741.64 413.1 420.6 468.67 776.67 420.4 0.29 898.4 720.99 619.48 616.04 527.55 559.68 565.28 336.24 513.65 679.02 383.59 416.66 391.97 326.68 275.88 741.43 834.62 633.89 682.57 1060.43 592.44 538.42 412.14 560.36 420.45 399.1 533.58 LysoPC(0:0/18:2) 9648.19 19887.27 7352.76 8955.23 8763.51 10134.88 8510.07 11180.91 14950.47 13866.38 17464.94 16624.63 14172.41 14315.39 11643.46 11445.42 9479.27 13340.5 9710.79 8490.35 14348.51 5720.34 9660.04 9566.88 9317.22 5849.91 7539.73 10093.33 10024.9 10735.16 13286.52 11808.52 8004.6 6849.07 8740.95 7692 10401.46 8034.97 6464.14 16508.29 6886.73 9740.89 14313.4 11305.48 9648.66 10172.8 13515.66 14378.09 472.15 16973.39 14223.92 12315.94 7188.21 11978.51 11855.31 10732.55 9070.03 13818.4 12628.55 7075.98 10869.44 7323.29 9041.55 6873.09 15408.85 14147.68 15492.35 15714.45 15050.9 12899.23 7286.03 8468.39 14021.76 8664.6 11795.21 13655.11 LysoPC(18:2/0:0) 37521.79 62893.53 29376.11 32145.33 32005.01 38130.21 35533.85 37816.44 48716.65 45340.23 59989.56 51469.14 49276.98 50445.66 41332.65 43893.56 34396.61 43333.1 44112.6 31616.03 51582.89 23963.9 34086.58 30161.82 39167.35 24248.4 29977.89 39363.17 40687.74 43074.76 43486.76 36694.19 33049.94 27834.12 32549.25 28089.26 37635.32 31502.23 26460.22 54238.32 28725.11 32956.38 42618.96 40546.91 35311.59 38786.98 42934.53 42066.31 27.96 51519.89 47566.79 38975.56 29999.79 39660.31 38401.64 40130.76 30490.76 45178.35 45438.43 28922.55 39976.26 26126.86 27991.07 24183.11 52992.42 48361.62 54128.02 49665.02 46316.43 44042.41 30632.49 32282.01 42967.79 28130.63 44418.1 51055.56 LysoPC(0:0/18:1) 2795.6 3700.62 1985.73 2296.7 2156.23 2078.21 2225.61 2691.81 2997.44 2669.57 3326.87 2819.5 2837.88 2699.28 3050.15 2785.57 2655.33 2558.63 2918.52 2274.12 3260.53 1759.78 2016.19 1770.66 2252.54 1691.03 2061.52 2588.37 2445.32 2870.27 2623.44 2201.42 1772.75 1952.64 2154.87 2435.29 2145.21 2225.59 1841.18 3382.17 2220.06 2066.65 2298.71 2492.98 2164.14 2247.56 2391.17 2427.77 1.72 2452.13 2140.3 1974.03 1963.15 3124.56 2730.12 2110.78 1795.69 2962.04 2956.29 1965.43 3376.05 1955.84 2265.36 1826.53 2606.26 2744.5 2847.33 3065.22 3101.55 2312.04 2031.49 2283.09 2396.87 2107.03 2938.77 2482.23 LysoPC(18:1/0:0) 14033.23 21718.04 10873.97 12714.9 12529.43 12171.86 12955.14 14069.53 15144.68 15266.52 20173.1 15849.53 14932.35 14250.99 16329.27 16480.76 15732.94 14336.44 16496.9 13529.63 19043.99 8346.61 11360.28 9819.94 12635.41 9291.34 10760.45 13396.41 13704.26 15434.48 14161.24 11980.52 9954.25 10897.39 13622.83 12866.75 12584.68 11497.2 10366.27 19163.89 11075.01 11942.63 13372.92 13315.54 11757.6 12572.62 13475.02 13413.26 2.72 15719.9 11720.91 11261.97 9906.67 14118.36 16318.47 12834.38 12392.68 16124.16 17976.08 9976.84 15806.43 10099.39 12498.93 9404.32 16260.35 17900.18 15946.56 17763.93 16592.83 12619.67 11697.56 11792.58 15479.63 12288.24 15609.59 15782.64 LysoPC(0:0/18:0) 3006.16 3361.85 2817.67 2005.28 2587.02 2021.93 1467.36 2584.12 2463.74 2264.56 2610.1 2580.79 3697.36 2726.33 3109.95 3440.99 2867.15 2962.47 3087.55 3078.23 3105.36 2288.19 1323.83 1621.41 2227.01 1756.68 2143.67 2104.15 1727.58 2483.34 2235.48 2743.41 1805.93 1885.11 3019.15 2556.98 2611.16 2112.32 1950.17 3022.89 2855.36 1732.1 2107.38 2419.56 2018.51 1905.45 1945.9 2321.4 30.24 2585.54 2181.78 1688.82 1690.84 2813.8 2682.67 2619.8 1705.15 3079.19 2856.85 2489.15 3123.44 1571.61 2470.41 1903.48 2144.92 2226.88 2539.06 2504.11 2041.79 2753.72 2107.42 2504.08 2373.29 2093.19 2611.95 2840.44 LysoPC(18:0/0:0) 22667.36 20921.42 18728.92 12995.02 18733.32 13519.08 13475.54 16840.24 18429.12 15726.76 18374.53 16907.31 27359.36 18993.59 21725.75 20977.68 22021.83 20576.86 23617.22 22018.56 21760.36 14829.63 11606.62 11881.93 15014.75 12144.68 14993.33 15739.85 16382.18 17915.85 16038.41 18757.29 11667.17 12690.62 23661.03 15137.49 20047.16 15262.86 15363.48 20902.94 21742.15 11259.98 12438.54 17272.84 12680.77 11809.16 13316.48 16306.21 50.77 17693.76 16338.03 10675.21 12421.65 20511.3 18859.34 19052.05 13057.81 22101.65 20885.57 15757.69 23292.57 11760.33 17616.96 12350.06 14839.75 16113.27 16158.59 16333.53 19245.7 19001.34 13451.5 16755.02 16833.58 13649.02 20662.55 21126.29 LysoPC(0:0/19:0) 41.47 22.19 42.08 16.16 32.05 30 18.41 19.09 24.42 29.05 23.41 32.96 36.63 42.99 65.22 49.81 47.81 48.48 69.29 35.34 17.62 35.05 21.01 14.25 31.91 18.86 35.04 25.36 43.8 26.59 34.83 24.45 18.56 21.86 38.75 23.65 45.27 34.62 34.85 24.01 40.21 11.66 30.25 45.74 15.01 17.82 21.51 25.18 0.35 31.73 27.58 13.01 25.79 50.65 37.63 28.72 44.02 37.56 18.22 40.31 41 16.25 32.78 13.57 14.62 22.24 24.06 27.66 54.78 34.2 25.96 45.34 30.3 28.62 38.86 45.08 LysoPC(19:0/0:0) 92.74 77.82 65.43 45.79 53.12 42.42 31.65 48.72 55.55 50.42 59.02 59.55 114.14 80.55 70.14 78.87 80.08 90.53 95.79 123.07 84.54 61.9 33.03 39.35 66.44 39.99 52.11 67.7 52.02 78.46 61.5 79.72 31.04 52.45 78.94 62.28 78.62 77.95 43.35 81.05 120.84 31.42 34.51 65.17 40.65 38.73 41.42 68.14 15.52 64.26 69.94 37.23 50.84 89.7 57 88.96 41.44 90.09 74.71 63.25 93.7 32.08 66.53 41.35 42.03 57.18 47.61 57.58 69.05 86.03 43.34 64.32 58.35 43.15 79.62 83.33 LysoPC(0:0/20:5) 154.3 199.39 185.09 67.03 48.83 55.14 93.94 102.6 87.82 97.26 81.49 107.01 123.78 67.88 230.46 185.9 120.15 84.32 82.69 111.84 160.06 153 62.06 44.36 49.58 62.1 81.3 75.51 60.04 50.99 91.4 89.56 54.24 158.87 119.53 123.43 61.93 93.15 93.81 128.65 181.84 74.72 54.05 45.35 75.69 110.51 75.59 67.72 0.3 97.01 87.66 59.25 139.76 134.91 144.88 72.53 76.25 140.83 113.24 128.85 89.25 36.72 38.89 75.89 160.72 90.07 104.8 82.31 118.84 90.82 92.1 110.15 138.4 120.1 72.79 53.96 LysoPC(20:5/0:0) 570.81 810.57 856.19 286.35 229.85 244.12 369.85 489.43 367.83 374.49 321.71 557.9 439.04 339 956.9 832.83 620.17 406.84 471.6 506.21 724.1 584.34 267.7 205.89 200.57 233.45 313.12 309.07 279.07 203.27 377.13 368.4 264.26 731.88 610.29 505.06 323.69 340.74 344.89 609 672.28 321.39 279.66 218.7 310.07 440.54 338.87 331.76 14.81 448.52 441.18 295.54 631.93 649.94 568.22 318.91 368.83 513.07 494.21 529.12 354.78 193.15 186.29 273.05 747.22 456.78 440.2 359.89 645.26 391.42 370.5 512.02 754.91 503.73 271.07 235.45 LysoPC(0:0/20:4) 2674.86 2808.65 2179.24 2496.69 1991.04 2529.38 2183.96 2487.86 2676.99 2764.98 2362.19 2975.93 3150.5 2269.05 3176.8 3618.46 2671.08 2375.19 2127.86 2383.52 2469.45 1801.71 2092.71 1786.95 2257.21 1761.33 2331.84 2312.88 2279.16 1979.13 2532.85 2439.98 1651.02 2685.27 2523.85 2582.68 2084.11 1574.22 1803.06 2190.22 2453.73 2463.91 2047.57 2292.91 1932.97 2521.65 2268.32 2373.32 690.15 2647.61 2569.06 1667.7 2313.61 2779.56 3015.01 1992.83 1622.93 2795.58 2111.8 1803.67 2704.55 1380.3 2268.85 1786.86 2871.42 2603.68 2533.05 2534.28 2853.23 2570.2 1920.63 2359.66 3013.69 2346.86 2207.31 1762.77 LysoPC(20:4/0:0) 9829.19 9091.33 7480.06 8939.79 7734.91 9100.74 9113.48 10878.96 8501.5 9695.36 8303.89 11003.68 12480.47 8297.24 13005.85 11495.9 10464.13 9325.69 7302.34 9473.61 8079.34 6209.63 8125.02 6126.57 8691.44 6409.59 8091.57 7048.46 8289.15 6727.15 8796.5 8941.51 5521.77 9806.83 9756.32 8889.91 7638.69 6267.91 6979.23 7656.34 7897.05 7673.6 7110.91 9393.35 7561.5 7899.25 8033.01 8473.74 624.21 9707.11 9594.45 6247.7 7864.69 10456.18 11113.23 7690.98 6565.23 9989.31 7537.52 6727.98 11143.86 5082.31 7623.08 6870.17 9742.62 10488.01 9982.51 7664.86 11859.9 9549.1 6503.2 8485.37 11152.56 8841.55 8714.12 6738.12 LysoPC(0:0/20:3) 690.42 793.86 515.73 571.37 610.03 475.92 371.29 517.71 474.8 441.7 722.23 738.62 730.5 408.82 894.53 756.36 822.69 537.7 509.47 632.81 723.43 397.2 469.16 481.3 416.72 332.6 410.26 385.79 374.62 542.09 556.2 487.42 296.34 598.2 602.12 622.39 457.86 371.31 467.11 765.15 547.52 442.44 530.47 431.65 388.93 450.24 436.19 402.2 60.98 645.59 476.59 334.12 507.25 704.82 715.56 396.08 393.31 676.6 634.33 403.47 721.36 311.96 398.7 357.48 573.97 579.64 472.46 710.98 698.64 413.93 384.3 584 717.51 582.14 500.66 412.6 LysoPC(20:3/0:0) 2302.77 2445.85 1574.02 1664.55 1914.73 1177.92 1104.63 1763.66 1532.27 1293.95 2482.24 2350 2214.17 1460.85 3074.69 2363.56 2522.45 1711.4 1873.06 1962.35 2328.07 1333.58 1516.78 1501.31 1356.14 953.25 1249.2 1262.23 1237.72 1720.07 1826.37 1415.67 775.79 1789.8 1995.76 2107.71 1420.26 1299.28 1430.59 2265.3 1983.41 1371.87 1601.31 1422.05 1170.31 1342.36 1238.46 1289.57 67.98 2196.75 1463.46 1000.63 1537.93 2052.68 2236.84 1399.69 1118.01 2014.57 2099.66 1417.26 2487.05 1075.66 1338.8 1082.01 1604.94 1860 1452.19 2071.85 2396.45 1422.79 1108.95 1772.57 1904.1 1488.92 1424.85 1458.93 LysoPC(0:0/20:2) 80.41 92.28 62.14 54.74 61.12 42.73 54.99 81.99 101.42 58.36 102.61 83.19 111.94 74.25 125.61 123.25 96.13 113.63 120.87 106.14 117.79 55.19 57.01 53.96 63.37 62.66 63.25 86.74 54.39 128.07 77.34 98.42 72.03 60.26 92.38 77.83 102.08 77.42 69.25 108.22 100.45 64.85 76.58 71.31 69.06 67.63 80.7 89.7 13.94 81.69 98.35 58.29 63.74 120.54 101.7 90.69 68.97 112.75 126.6 56.73 111.2 43.81 78.33 69.75 115.2 91.71 84.08 96.1 80.58 114.2 87.5 88.86 77.18 60.84 134.28 96.36 LysoPC(20:2/0:0) 338.35 498.21 258.23 256.68 300.3 237.67 191.9 332.01 312.32 285.92 418.65 332.08 432.92 397.41 407.37 403.27 354.97 439.96 536.3 444.44 470.86 231.15 204.12 213.8 285.57 193.19 274.15 338.06 270.76 418.83 255.09 312.38 238.55 263.54 399.5 293.02 372.38 345.2 228.37 465.01 353.16 213.33 213.36 284.31 214.32 255.42 298.56 263.06 1.2 303.25 292.01 235.49 263.58 464.16 405.41 411.3 306.56 342.49 417.42 234.08 389.07 194.65 309.72 188.33 329.31 396.06 332.62 473.14 325.01 360.39 269.77 279.68 363.81 246.69 369.68 450.77 LysoPC(0:0/20:1) 32.04 48.57 31.48 30.9 28.03 24.79 24.23 24.32 31.01 31.99 44 30.34 47.72 37.88 39.68 37.96 34.34 36.05 41.66 50.46 54.1 28.98 24.3 24.07 22.28 25.72 30.92 41.72 29.3 48.39 34.78 29.04 21.17 25.01 32.5 24.11 42.32 32.24 17.71 48.46 38.56 20.31 34.81 30.73 30.87 25.55 22.62 30.85 1.03 26.81 32.19 27.03 29.72 43.55 42.64 37.35 29.52 37.18 38.64 32.93 42.63 24.97 22.48 26.24 29.23 34.24 36.4 35.3 33.76 31.16 19.53 29.66 25.63 23.3 33.93 54.56 LysoPC(20:1/0:0) 201.73 290.03 135.88 144.88 179.02 117.17 144.62 172.78 183.09 186.28 228.14 181.51 272.05 221.47 208 230.07 214.63 237.07 272.62 405.53 352.63 153.99 149.74 173.36 164.07 150.42 203.9 209.15 229.12 337.14 171.49 200.39 138.43 146.17 282.82 180.26 234 200.78 153.81 262.86 247.15 126.09 130.24 167.54 135.17 126.29 128.79 176.46 0.2 149.82 162.65 151.98 172.9 256.4 300.91 272.57 176.2 228.65 252.25 137.99 284.48 126.94 180.21 119.88 177.9 198.66 199.02 254.42 191.02 202.16 134.48 168.61 178.75 144.06 221.35 278.98 LysoPC(0:0/22:6) 351.21 590.72 404.29 472.59 442.85 353.03 494.4 655.55 509.06 528.22 552.72 716.43 563.49 457.76 548.11 627.79 432.85 566.54 459.3 376.26 472.45 355.77 398.78 415.26 386.5 359.5 426.89 453.89 420.74 383.3 496.75 443.84 344.21 522.42 495.04 430.78 444.53 436.58 314.42 471.12 530.83 399.09 374.89 368.39 446.67 452.02 509.18 416.98 112.26 486.98 436.52 340.25 404.57 486.27 460.71 453.47 521.06 440.34 423.63 398.56 453.45 293.09 387.74 397.76 550.41 529.39 467.57 486.16 628.21 425.94 548.14 348.96 610.29 447.91 425.46 392.81 LysoPC(22:6/0:0) 1376.6 2095.78 1726.94 1985.36 1653.69 1458.57 2410.42 2485.71 2052.51 2123.67 1985.17 2639.35 1734.48 1599.56 2177.38 2485.49 1846.83 2076.69 1827.46 1367.12 1917.36 1498.26 1651.64 1593.7 1344.68 1446.28 1935.94 1698.89 1798.59 1503.26 1714.18 1382.31 1460.55 2219.52 1799.53 1926.34 1728.92 1579.3 1289.93 1670.93 1942.31 1556.67 1378.46 1286.06 1785.4 1803.65 1859.23 1555.24 106.66 2061.22 1543.68 1650.79 1501.03 1810.15 2072.07 1799.11 2139.63 1526.4 1567.53 1525.33 1771.98 1056.48 1216.95 1438.03 2088.6 2155.1 1886.66 2021.8 2571.66 1465.15 2028.78 1359.33 2225.64 1829.5 1642.96 1452.86 LysoPC(0:0/22:5n3) 199.93 137.6 155.26 107.41 127.9 77.54 102.22 146.17 183.82 150.25 156.24 125.56 289.72 150.72 269.46 223.22 189.74 150.63 245.44 158.87 123.83 153.54 104.01 67.14 133.04 77.38 109.09 151.28 132.14 144.97 150.91 172.93 68.58 156.4 219.76 158.23 153.9 155.06 117.47 139.59 174.73 91.02 92.4 176.66 65.66 107.65 127.18 127 16.75 215.84 128.4 109.8 134.68 235.88 167.31 154.19 105.59 155.45 170.77 138.16 152.31 99.57 110.66 94.83 117.36 177.67 110.8 99.42 217.81 220.14 102.16 189.14 172.06 152.96 163.1 183.1 LysoPC(22:5n3/0:0)+LysoPC(0:0/22:5n6) 567.5 485.64 467.21 411.35 411.51 343.31 328.7 478.04 591.14 449.36 535.13 637.43 901.35 521.48 833.56 860.2 670.58 619.51 615.81 606.87 504.84 409.01 324.72 267.13 356.98 286.46 368.02 495.09 397.42 409.04 520.17 591.76 295.47 642.82 667.03 569.66 540.39 490.48 416.19 483.94 592.38 324.4 346.44 387.47 257.33 393.16 488.65 439.48 15.99 579.83 551.34 298.31 509.92 785.59 566.54 477.06 468.33 626.82 501.14 443.04 600.69 225.33 361.84 303.58 444.58 646.97 511.13 451.06 606.15 549.94 391.55 605.77 679.56 490.97 577.19 574.08 LysoPC(22:5n6/0:0) 161.63 132.53 76.34 169.71 159.96 140.24 111.19 118.68 107.16 114.62 167.73 184.34 152.8 85.53 191.16 156.7 164.72 90.66 101.39 170.95 103.93 81.4 172.32 153.17 137.92 93.89 94.8 112.89 123.41 118.12 122.73 132.8 73.12 161.01 140.29 142.38 97.71 112.63 133.34 103.02 95.63 135.05 148.29 128.72 98.83 101.95 136.52 109.72 16.5 164.35 141.32 105.63 120.88 150.15 199.79 101.67 96.19 142.42 88.89 82.49 245.22 107.48 164.4 87.89 112.18 167.02 112.86 156.17 199.88 123.79 99.43 122.21 173.42 168.22 126.85 115.77 LysoPC(0:0/22:4) 117.65 71.8 47.02 64.89 87.25 56.9 51.39 60.23 88.76 74.06 86.06 70.25 138.61 97.58 90.51 80.07 97.25 82.38 117.16 111.8 79.03 57.21 57.55 62.66 75.15 46.88 68.04 68.12 62.96 81.96 62.61 78.2 44.4 57.62 88.12 76.77 65.9 71.29 45 71.68 82.48 55.1 65.73 95.52 58.12 63.41 60.32 82.11 39.84 80.92 74.14 53.81 74.19 81.8 104.65 79.8 54.09 105.16 70.88 60.31 119.71 47.69 97.91 50.48 65.61 90.65 85.32 64.01 86.27 74.9 57.93 85.06 62.32 63.89 89.24 89.55 LysoPC(22:4/0:0) 258.13 192.07 116.43 179.6 228.66 156.64 142.73 162.99 239.7 177.69 263.2 247.95 335.47 224.56 364.67 278.81 292.97 258 260.87 438.17 226.48 175.99 169.65 165.57 207.67 124.64 166.02 230.36 190.99 211.04 199.47 195.7 136.79 217.2 289.64 231.1 194.46 196.79 166.3 206.21 208.33 137.15 168.24 195.76 132.05 152.88 182.13 176.89 2 205.57 190.01 149.92 203.75 260.47 342.33 212.75 181.73 263.8 196.48 140.23 307.76 136.41 236.45 117.86 199.56 256 199.39 218.81 240.43 203.08 114.91 239.77 223.47 170.09 234.15 230.65 LysoPE(0:0/16:0) 246.8 350.51 255.29 235.78 213.91 246.54 294.82 359.17 304.81 296.32 341.03 290 287.33 249.23 296.86 351.34 196.52 297.95 283.03 301.63 350.41 200.2 197.26 227.18 247.08 247.84 242.04 285.77 230.6 311.59 267.51 244.99 198.51 183.44 283.4 170.68 259.95 219.48 224.1 406.76 312.99 245.11 267.67 288.86 296.07 361.43 413.23 287.92 0.9 337.56 276.74 295.7 244.88 325.1 365.17 260.25 244.99 254 321.64 274.67 282.63 219.76 306.02 225.68 317.68 313.76 292.97 311.99 281.42 233 310.44 247.05 367.11 198.59 236.93 265.95 LysoPE(16:0/0:0) 699.77 900.88 634.25 612.28 637.03 629.08 868.05 914.33 840.3 795.65 864.92 743.94 827.12 719.9 767.26 1033.46 576.54 890.51 827.52 789 928.86 542.58 580.82 614.18 608.99 618.54 780.48 751.46 727.51 782.22 735.33 699.82 589.96 583.7 903.03 473.2 808.48 655.16 606.56 1004.8 776.97 682.39 756.64 779.22 841.86 965.08 1099.85 781.31 1.09 929.63 777.23 980.52 736.74 1036.51 978.98 747.84 743.53 677.22 916.7 616.31 751.2 572.65 826.67 568.58 948.97 891.5 845.64 908.62 729.11 693.51 813.35 643.54 876.6 526.91 647.57 727.42 LysoPE(17:0) 16.46 26.67 33 17.47 17.36 12.53 14.23 23.62 13.8 33.59 33.16 25.15 34.99 27.15 29.9 47.32 16.19 25.21 36.85 38.32 34.13 26.73 15.79 11.7 26.38 18.53 22.4 22.07 23.09 25.92 37.52 35.2 17.78 31.65 39.05 19.53 34.24 30.18 25.01 29.32 41.16 27.66 18.82 25.01 23.92 20.07 23.54 25.47 0.49 20.76 37.27 26.86 25.33 51.68 45.34 26.92 24.53 28.6 31.49 24.58 20.99 11.89 37.82 12.59 30.9 20.48 19.69 31.71 14.44 31.48 20.29 18.33 37.26 17.22 21.53 24.14 LysoPE(0:0/18:2) 1010.27 2786 927.02 1009.59 1050.04 1307.25 1075.31 1060.15 1658.07 1842.67 2572.23 2028.76 1263.66 1758.67 1161.49 1951.24 911.98 1372.47 1072.59 882.91 1674.06 1115.13 1689.14 1516.03 1438.67 777.55 972.72 1307.54 1512.21 1598.4 1847.64 1234.96 1399.98 880.35 1219.76 884.99 1335.78 1249.44 1120.73 2573.71 1210.14 1405.28 2280.34 1393.26 1429.45 1925.59 2722.55 1951.76 361.355 2878.04 2507.15 2383.83 1072.7 1497.57 1516.16 1375.75 1239.91 1567.54 1607.77 818.92 1143.72 892.63 984.54 722.71 2164.51 1758.37 2343.57 2170.68 1418.82 1226.85 1176.59 1075.69 2135.09 1051.35 1378.77 1972.77 LysoPE(18:2/0:0) 1670.43 4840.61 1783.92 1972.89 1983.46 2647.17 2056.61 2125.77 3363.92 3385.86 5096.24 3970.61 2306.64 3495.58 2283.78 3629.7 1801.5 2600.24 2262.04 1484.73 3215.46 2120.37 3735.41 3303.09 2656.48 1557.68 1997 2465.25 3087.18 3107.13 3643.98 2352.94 2750.84 1875.98 2557.42 1721.05 2907.66 2465.68 1977.29 4839.93 2200.71 2867.27 4660.95 2707.9 3187.29 3674.48 5382.17 3689.97 741.055 6124.48 4728.72 5134.92 2197.66 3255.55 3145.1 2869.17 2490.21 2789.31 3052.52 1553.34 1967.58 1882.51 1793 1482.11 4415.69 3217.64 4614.45 4545.47 2835.56 2434.17 2225.44 1944 4090.89 1888.26 2557.98 4119.63 LysoPE(0:0/18:1) 299.93 864.93 309.2 304.31 308.41 353.82 237.48 280.05 290.29 428.05 644.37 481.06 263.64 518.47 398.25 429.39 270.03 335.07 262.18 339.29 549.17 408.54 571.38 429.92 465.24 248.49 328.87 253.93 426.07 406.62 439.82 313.21 364.88 267.15 408.94 267.78 343.97 319.12 269 671.99 392.37 458.26 542.11 444.51 464.13 488.08 474.93 505.16 172.92 631.16 506.2 672.88 314.03 636.11 542.11 414.96 319.22 484.37 427.3 240.43 1039.17 232.87 278.83 156.38 569.34 355.01 594.76 563.19 343.58 258.94 228.39 431.45 521.01 214.77 526.35 620.11 LysoPE(18:1/0:0) 629.63 2104.69 698.5 682.88 695.45 841.63 675.97 674.7 729.86 1222.85 1677.61 1481.65 699.4 1283.73 850.94 1222.25 648.79 829.47 675.57 842.43 1384.88 928.88 1606 1172.59 1027.23 609.28 893.69 559.53 1115.06 1149.17 1732.39 757.14 1029.05 691.69 1133.46 666.63 894.65 760.14 678.69 1831.84 1112.02 1123.92 1317.67 1064.25 1114.13 1384.2 1192.27 1387.75 199.33 1872.96 1433.66 1862.27 853.22 1385.95 1583.36 977.41 829.16 1175.46 1082.37 539.2 758.03 526.06 683.4 398.66 1518.56 948.81 1466.44 1394.36 792.73 579.55 586.56 951.28 1485.67 622.42 1508.51 1437.89 LysoPE(0:0/18:0) 309.57 256.18 175.02 158.93 173.11 183.39 187.45 200 197.82 222.18 230.18 183.75 257.34 223.01 272.73 242.11 206.79 256.59 239.67 627.46 366.86 209.46 178.93 171.7 249.21 147.96 242.75 256.88 171.04 329.79 186.09 207.54 138.76 156.62 321.36 175.93 259.02 177.36 205.46 258.37 272.66 156.56 164.96 233.88 171.75 172.06 227.7 197.88 0.44 232.38 188.33 203.56 213.23 327.32 410.29 249.97 184.05 303.67 247.34 181.54 243.64 138.96 248.52 146.36 249.8 201.82 189.15 270.64 238.15 204.52 160.92 221.08 221.94 144.55 181.98 244.16 LysoPE(18:0/0:0) 956.15 675.81 560.44 425.98 624.57 551.72 554.76 611.96 674.4 583.69 830.47 622.57 827.63 660.74 761.03 800.3 677.65 901.94 725.17 1969.09 1260.99 641.67 560.92 653.05 743.7 459.38 769.13 706.36 660.99 975 696.49 708.15 435.84 440.06 1057.85 468.86 798.8 575.75 693.73 854.58 910.95 417.87 566.55 818.8 581.11 515.65 698.61 546.87 0.71 639.53 700.15 684.41 689.5 1179.61 1325.89 887.4 570.82 864.43 749.41 556.52 775.82 453.78 800.37 424.83 732.38 685.11 600.87 897.22 633.84 664.72 522.07 630.42 714.12 419.2 671.81 838.47 LysoPE(0:0/20:4) 1161.74 1054.06 819.33 858.73 916.69 944.38 716.16 1008.69 877.77 958.37 1105 1153.32 956.09 1027.53 1019.9 1212.92 1058.34 878.4 666.68 1782.49 1282.02 977.29 1221.93 1086.37 1107.48 674.53 1002.43 845.78 1036.03 1167.97 1083.91 872.49 753.07 801.74 1176.11 890.85 913.42 654.4 978.38 1150.87 1330.08 825.95 1071.43 1082.1 774.8 980.33 879.08 1015.88 327.2 1282.34 1178.45 1177.41 942.74 1318.43 1300.23 883.21 655.44 1245.77 1040.47 749.46 1129.42 661.5 1030.75 701.97 1336.53 975.24 1079.06 1095.88 929.9 869.62 920.44 1038.21 1185.11 912.36 875.87 800.65 LysoPE(20:4/0:0) 941.16 1357.65 947.54 1261.05 938 1325.89 1036.43 1329.34 1319.72 1291.66 1528.05 1600.14 978.09 1086.17 1218.19 1726.39 1021.03 1132.73 749.45 1107.4 1129.48 983.75 1715.19 1309.38 1221.06 792.1 1216.25 1302.6 1283.85 1231.37 1322.8 1088.64 1152.55 1074.25 1337.44 1273.9 1025.36 969.22 1214.78 1296.93 1276.87 1157.44 1159.33 1114.55 1210.06 1340.32 1342.1 1272.44 374.725 1740.73 1362.9 1532.16 1053.04 1372.71 1414.08 1030.52 966.43 1219.8 1105.06 808.79 1062.52 852.52 1126.18 928.67 1330.7 1441.74 1372.93 1399.84 1233.91 1054.88 1207.45 964.75 1620.07 1025.59 953.61 1027.32 LysoPE(0:0/20:3) 95.94 101.82 62.11 72.97 89.28 51.68 45.63 83.87 65.45 72.33 129.09 89.38 75.41 73.11 128.56 90.15 115.24 56.8 53.29 93.73 110.46 83.79 84.19 75.39 79.26 51.73 55.33 80.54 73.83 96.29 98.45 50.93 59.16 77.56 108.77 81.83 69.02 61.31 86.79 102.37 124.56 67.86 83.31 65.69 61.03 69.4 62.28 57.41 53.92 102.57 70.83 76.87 82.81 145.04 121.15 65.41 57.98 112.39 115.57 86.81 88.87 54.27 73.41 39.36 90 69.59 88.17 120 69.46 61.75 74.11 87.76 93.07 80.34 66.54 64.28 LysoPE(20:3/0:0) 75.32 96.14 78.07 61.24 88.64 77.23 60.51 79.11 74.99 66.43 118.46 97 67.61 86.46 106.33 119.04 95.2 66.21 51.26 86.45 96.63 76.93 89.45 81.86 85.63 53.5 57.41 75.48 63.24 107.77 100.55 62.29 50.78 84.55 114.51 110.22 86.09 75.16 107.79 136.95 110.4 58.72 68.52 77.43 61.78 56.96 95.75 73.77 25.39 94.61 87.31 85.67 105.69 109.49 115.77 63.39 68.62 83.48 122.14 65.17 110.1 60.42 68.77 67.26 102.69 87.79 90.3 124.49 93.68 62.97 86.72 88.28 119.04 66.72 55.8 83.16 LysoPE(0:0/20:2) 5.65 9.67 1.22 3.05 3.94 3.43 3.5 4.41 11.05 6.57 9.79 11.51 12.46 11.38 11.18 12.86 6.99 13.33 3.02 11.84 18.46 3.95 10.63 7.35 11.94 7.47 8.04 7.09 6.18 12.51 10.39 10.82 2.19 9.08 13.24 5.29 16.31 3.19 8.89 18.51 8.7 3.24 6.52 7.47 11.31 8.1 10.3 6.45 1.95 10.1 17.33 14.7 30.5 8.35 9.62 5.12 6.18 9.49 7.12 1.64 4.88 10.93 4.99 3.78 7.43 6.86 6.75 12.55 7.03 7.69 8.68 7.47 6.99 7.8 7.91 11.18 LysoPE(20:2/0:0) 12.05 31.24 5.68 6 12.04 10.22 5.5 8.36 11.58 7.84 20.8 12.91 19.51 16.34 14.72 20.94 6.68 22.11 10.39 32.67 28.41 11.56 12.98 16.67 14.87 11.59 19.37 16.73 18.2 23.48 17.61 15.72 11.4 13.17 32.35 15.59 18 7.84 11.83 29.87 15.49 2.9 10.28 14.93 11.96 11.27 20.77 16.8 0.65 20.97 14.86 16.41 23.6 25 29.2 16.03 17.21 16.79 10.27 9.12 9.77 8.5 9.12 5 13.47 19.47 8.69 33.23 6.38 13.06 3.29 14.68 17.04 2.2 11.6 23.2 LysoPE(0:0/20:1) 10.81 11.46 4.5 6.85 5.59 3.14 3.24 1.94 7.43 5.71 23.21 12.7 3.34 6.01 13.19 5.65 5.92 9.53 10.66 26.05 22.17 8.06 9.67 8.15 5.87 1.2 12.71 10.24 9.62 12.52 8.7 11.03 3.96 2.33 7.4 10.33 15.66 7.85 9.19 16.77 5.35 7.64 5.81 6.93 6.15 5.13 8.54 23.43 0.96 12.23 4.55 12.32 11.37 14.68 16.97 8.42 6.52 17.36 13.78 3.93 2.97 4.92 5.18 1.8 11.88 3.23 14 9.73 8.34 4.37 3.03 8.37 8.24 5.92 11.17 13.66 LysoPE(20:1/0:0) 15.29 40.42 9.36 8.31 16.36 11.24 10.57 12.87 17.97 11.15 43.15 28.52 18.11 11.33 24.72 23.36 16.26 16.16 10.71 43.86 44.62 12.38 20.4 15.08 28.93 10.03 15.73 19.29 20.14 38.34 27.4 17.87 10.65 17.31 21.12 15.6 18.32 21.67 20.64 25.97 17.59 15.04 31.4 17.74 15.48 12.99 14.94 15.22 2.56 27.89 25.53 20.73 22.3 30.98 41.66 19.77 14.2 30.71 15.64 8.67 17.02 8.49 14.98 7.92 19.86 16.12 24.05 43.95 19.49 19.02 10.91 13.93 18.4 11.34 35.4 28.94 LysoPE(0:0/22:6) 547.8 758.15 533.5 524.09 527.29 569.41 562.23 782.41 619.8 562.26 657.68 718.02 478.71 560.52 768.9 801.58 533.8 642.9 512.25 575.18 643.86 605.58 636.47 539.02 592.36 405.54 651.45 676.85 647.81 572.9 592.11 494.15 571.01 576.79 741.37 603.01 575.84 605.91 612.2 718.67 873.84 408.8 472.07 418.62 477.45 560.89 533.68 548.81 202.77 615.06 444.42 673.13 557.29 634.19 546.54 485.19 596.47 737.89 625.51 556.05 664.87 413.34 586.43 508.16 750.93 796.18 722.09 706.7 694.25 469.94 784.62 591.3 780.95 563.85 498.94 490.08 LysoPE(22:6/0:0) 415.4 697.17 567.84 616.12 344.12 565.78 774.31 844.79 720.27 752.24 819.86 907.76 427.78 515.35 616.27 894.42 488.54 643.88 427.07 327.85 701.15 519.13 789.37 662.96 547.74 459.47 599.26 837.82 800.61 713.53 588.63 544.15 742.63 738.25 711.92 698.8 665.11 620.45 807.47 803.51 856.6 417.97 381.26 465.71 449.17 560.61 732.61 594.62 163.925 821.04 444.36 842.09 614.31 438.72 504.34 459.02 779.03 619.92 517.51 534.97 488.18 564.8 583.36 590.2 923.35 962.94 730.18 867.96 940.59 554.31 980.95 504.28 1013.27 675.47 387.13 478.16 LysoPE(0:0/22:5n3) 183.14 97.52 75.12 61.79 81.74 86.84 69.92 83.36 85.46 77.9 144.99 114.59 150.38 109.01 182.78 122.6 112.54 82.36 86.21 207.18 124.99 141.96 68.19 69.47 115.61 54.36 96.86 86.75 81.07 124.97 113.66 112.52 69.48 95.05 160.82 101.37 96.17 87.35 114 114.18 180.96 45.44 51.95 82.01 43.16 69.79 77.64 91.07 21.58 99.67 92.3 100.72 113.69 165.39 91.16 102.42 89.46 155.27 92.92 98.95 86.69 54.05 96.88 48.28 113.7 103.24 84.08 106.77 106.56 136.78 86.28 103.32 97.83 98.33 100.01 96.35 LysoPE(22:5n3/0:0)+LysoPE(0:0/22:5n6) 137.78 108.9 79.24 113.36 82.33 112.94 99.05 105.76 138.88 106.59 131.58 156.06 144.53 101.08 184.85 163.34 109.02 114.45 96.85 135.24 127.63 118.49 140.31 120.11 130.82 59.83 89.82 126.83 135.47 118.96 154.26 123.4 100.68 127.49 162.8 123.26 114.39 100.07 165.75 139.52 136.06 76.66 97.3 98.06 82.33 72.96 109.99 123.67 29.915 154.4 94.12 109.95 97.23 115.68 107.72 66.29 90.71 133.61 108.34 99.07 140.61 83.96 110.15 72.9 102.97 156.74 142.81 143.79 137.63 113.07 126.94 118.48 145.38 110.25 111.68 84.89 LysoPE(22:5n6/0:0) 42.07 39.04 22.06 64.21 39.92 62.45 44.71 47.64 35.26 57.63 62.6 87.18 55.65 21.29 34.32 77.54 45.67 24.78 20.74 30.8 42.4 38.18 102.12 71.01 65.75 28.14 47.49 59.2 71.94 41.87 64.62 57.14 46.25 53.82 68.73 49.66 30.52 39.22 91.3 54.89 48.49 48.28 25.26 47.13 44.35 19.94 30.97 45.57 0.98 63.52 62.75 58.29 70.99 37.41 60.85 30.21 31.22 49.62 49.21 42.6 69.83 38.77 62.32 33.17 37.11 86.05 51.75 64.12 64.72 41.91 54.62 37.83 50.73 34.57 33.55 38.32 LysoPE(0:0/22:4) 148.02 95.89 43.03 41.58 64.97 61.86 39.43 54.17 58.17 59.87 97.07 64.75 56.4 62.95 76.39 76.21 68.05 68.18 46.83 324.31 122.61 92.86 65.54 65 95.54 47.05 85.22 71.06 71.83 137.33 58.99 77.12 49.22 59.9 94.45 50.91 49.72 47.94 64.48 79.47 96.54 40.58 67.78 65.02 58.81 40.19 54.7 45.47 15.5 71.11 62.85 71.98 81.86 122.39 105.47 78.09 37.11 101.18 58.21 53.32 61.98 41.83 68.8 37.25 63 64.54 60.14 103.59 31 49.05 36.3 62.1 41.47 46.27 60.65 70.78 LysoPE(22:4/0:0) 37.01 45.37 19.6 23.01 18.26 43.03 33.54 17.86 34.95 26.28 77.98 54.74 38.09 29.17 48.62 74.34 39.25 34.69 19.42 62.9 45.84 29.75 39.59 34.54 39.88 25.27 38.03 19.16 42.35 37.67 46.62 37.12 18.43 40.3 66.37 24.16 34.12 41.51 46.83 51.82 32.12 21.34 20.22 26.54 30.41 24.72 36.06 34.11 5.21 48.93 28.59 38.47 28.94 64.98 32.23 36.26 12.95 33.71 26.41 10.42 40.78 23.76 21.17 12.99 41.42 37.8 40.74 59.39 24.94 33.66 15.48 20.46 43.09 23.37 63.21 29.43 LysoPA(0:0/16:0) 10.16 12.27 14.56 13.92 12.59 12.92 18.15 17.48 14.09 25.79 20.7 14.02 15.24 18.41 20.56 17.6 16.8 17.16 9.94 10.65 15.54 14.78 14.38 10.76 12.56 10.46 10.11 13.64 18.83 13.72 18.2 13.11 12.88 13.29 16.62 15.67 11.41 13.08 9.59 14.21 12.67 13.52 15.92 19.92 18.92 15.21 20.4 16.75 0.6 10.37 13.54 14.85 13.96 15.32 15.43 13.76 15.49 7.24 9.14 15.5 11.19 14.51 13.12 17.52 17.49 15.84 18.11 13.18 13.56 19.25 16.01 14.71 17.07 16.73 15.41 12.02 LysoPA(16:0/0:0) 73.1 37.33 59.19 45.89 34.3 34.92 57.22 40.17 55.2 38.35 39.33 33.52 47.06 46.04 54.35 23.17 39.46 43.88 49.05 101.68 60.67 58.82 42.36 53.72 34.68 60.74 66.56 43.17 44.02 68.22 54.88 38.34 34.16 49.88 38.14 29.82 43.94 31.06 53.88 39.31 53.16 28.33 31.95 43.3 43.82 35.98 51.02 31.06 2.16 35.16 34.97 34.97 53.46 47.77 51.37 46.25 37.56 49.57 25.75 41.14 42.4 38.09 39.07 54.66 35.48 34.59 28.8 40.88 33.32 35.13 31.65 35.68 28.27 26.77 31.24 19.87 LysoPA(18:2/0:0) 324.32 264.83 239.22 243.43 196.49 191.58 294.09 210.1 307.64 230.19 299.84 317.71 226.81 389.63 259.08 172.75 166.59 221.6 247.62 312.5 243.78 194.9 229.36 206.48 218.34 225.28 169.73 233.04 207.12 205.69 331.3 205.89 165.33 168.17 129.92 141.9 198.34 148.52 193.59 245.72 208.32 221.63 276.72 208.55 271.68 229.02 252.25 207.44 7.66 269.3 223.44 173.8 175.97 190.27 209.16 159.97 136.4 353.09 139.36 186.09 283.98 186.36 195.05 253.93 297.38 217.86 253.89 235.28 217.53 238.5 163.56 187.6 155.96 142.43 217.94 235.12 LysoPA(0:0/18:1) 4.07 6.81 3.14 4.25 3.39 5.86 7.22 8.77 7.63 3.63 5.06 11.93 6.93 7.85 8.39 7.4 5.98 7.97 4.38 7.91 2.41 4.11 2.47 5.45 3.28 3.77 5.39 7.78 2.76 3.57 10.68 7.82 2.66 1.91 1.62 3.39 5.76 2.63 3.81 7.92 1.5 2.15 8.12 5.82 4.22 4.44 7.87 3.46 0.38 7.06 5.64 2.93 4.52 4.79 6.72 4.65 1.38 7.27 6.17 3.09 4.3 2.86 3.8 17.1 11.36 5.59 9.26 1.16 3.72 2.09 6.29 5.69 3.81 3.39 11.14 4.7 LysoPA(18:1/0:0) 53.28 43.18 41.43 45.15 33.38 29.87 39.55 40.01 49.88 29.51 40.27 47.88 32.01 53.38 49.55 30.07 34.35 31.6 48.11 61.3 47.85 31.78 40.25 51.37 29.41 37.77 40.9 40.82 35.98 41.32 44.64 37.22 30.96 37.73 26.18 27.88 35.76 22.47 31.78 43.9 34.57 33.41 44.91 51.75 42.09 38.47 36.31 37.1 2.28 34.69 42.78 32.37 41.19 34.71 52.6 33.31 34.64 38.83 34.47 39.51 49.22 32.91 31.3 38.84 39.1 37.02 41.74 33.93 37.6 36.28 29.7 42.71 25.74 29.84 36.23 32.35 LysoPA(20:4/0:0) 131.08 66.54 92.31 109.14 72.57 88.54 116.25 108.92 126.76 93.77 82.11 102.94 118.56 109.1 134.22 79.34 95.12 83.86 70.97 243.08 119.77 112.47 103.82 123.25 107.23 91.41 220.35 195.9 92.38 128.73 123.81 98.3 75.18 109.89 69.68 92.02 83.91 58.1 83.78 71.29 117.1 79.15 57.91 79.41 103.79 121.37 141.11 72.08 3.25 71.01 88.12 81.67 139.02 90.83 130.08 89.57 52.06 116.27 55.29 82.84 149.91 65.55 79.51 119.91 97.48 120.39 69.79 62.06 91.78 119.28 55.85 81.58 59.73 59.3 82.47 64.27 LysoPI(0:0/16:1) 2.24 3.16 2.03 1.51 2 3.02 1.69 3.02 1.07 1 2.81 2.75 1.58 2.05 4.12 1.21 2.11 1.82 2.11 4.08 3.36 2.77 2.64 2.19 2.85 2.41 2.92 1.69 1.04 2.45 4.51 1.71 1.93 4.9 1.05 1.58 1.15 2.68 2.01 1.04 1.72 2.41 2.3 2.06 2.21 2.37 0.67 1.88 0.335 2.85 1.17 1.47 4.54 1.87 2.8 1.77 1.42 2.08 1.55 1.56 1.89 1.18 1.17 1.51 3.39 2.37 1.91 2.1 2.19 2.38 2.21 2.48 1.87 2.71 3.69 1.68 LysoPI(16:1/0:0) 24.6 22.18 18.68 17.68 14.33 25.29 16.3 24.58 9.37 12.08 25.14 26.64 19.29 18.35 36.97 12.16 21.28 15.29 17.07 28.83 26.4 22.54 19.63 16.3 23.22 19.25 22.25 9.75 14.1 22.81 35.79 16.88 14.28 38.96 13.91 18.39 15.09 16.81 15.6 11.89 18.02 18.04 23.11 19.42 19.21 27.99 9.44 13.59 4.685 25.14 14.81 13.32 43.82 20.6 22.43 10.68 17.79 24.69 11.47 15.66 14.95 10.92 11.87 13.64 32.36 18.21 13.92 18.13 18.74 11.93 15.86 25.9 12.63 18.58 33.15 11.07 LysoPI(0:0/16:0) 8.86 9.28 5.55 4.71 7.43 4.79 5.95 9.52 7.51 7.57 5.78 5.52 13.91 12.12 14.51 7.38 10.34 12.24 12.35 11.81 9.06 7.28 4.69 5.11 7.49 7.14 6.62 6.28 5.91 5.89 11 9.53 9.05 8.84 8.5 5.78 11 9.03 5.46 11.22 11.62 5.62 9.16 9.1 7.46 9.39 6.78 7.59 0.67 8.42 8.26 7.47 6.67 11.04 10.18 8.92 10.02 10.86 6.41 7 12.09 4.08 10.04 6.37 7.35 5.46 6.07 4.83 6.98 11.87 7.47 12.4 5.74 5.39 14.2 13.39 LysoPI(16:0/0:0) 85.77 61.68 52.86 43.15 77.94 52.44 40.96 57.82 50.43 55.81 56.85 61.84 124.08 117.69 130.89 59.87 90.7 86.02 141.77 103.35 76.37 69.74 45.83 44.19 80.71 60.32 62.62 54.12 51.39 57.7 90.77 83.85 71.2 60.5 83.69 62.14 85.98 79.91 34.99 80.73 92.64 50 64.26 85.9 69.93 77.48 47.55 83.34 0.44 74.5 81.89 53.54 57.82 85.42 74.2 86.22 62.48 83.63 71.27 56.2 104.99 30.72 81.21 48.26 67.37 44.6 70.32 33.73 57.19 100.69 56.64 85.01 43.17 37 118.92 117.87 LysoPI(17:0/0:0) 4.26 2.66 2.95 0.61 4.91 1.65 1.64 2.33 3.56 2.55 3.67 3.99 6.44 3.83 8.25 3.51 3.24 5.55 7.73 4.26 2.82 5.9 2.76 4.22 4.13 3.94 2.42 1.83 1.37 4.12 6.31 6.81 2.15 4.07 7.22 4.05 9.28 4.51 1.48 6.12 5.12 3 4.35 6.51 2.79 2.02 2.71 4.31 0.24 4.4 4.85 2.98 2.05 5.35 3.88 5.15 3.6 2.19 2.39 4.45 4.85 1.36 5.08 1.78 3.77 2.05 3.85 3.23 1.76 8.13 2.21 6.52 1.54 2.93 6.22 5.68 LysoPI(18:3) 7.68 7.7 3.59 2.54 2.7 3.62 1.76 2.55 3.17 1.97 2.99 5.31 6.25 4.56 8.35 3.94 5.71 5.54 2.1 9.84 7.14 5.49 2.61 3.46 2.93 2.74 2.49 3.94 2.12 2.86 9.43 4.48 5.2 9.8 3.17 3.3 3.89 3.76 5.13 4.67 3.82 2.13 4.22 2.88 2.91 3.84 2.93 3.12 0.88 6.1 4.63 4.51 12.21 5.47 4.59 4.49 2.72 6.29 3.69 3.46 3.2 3.53 2.79 1.97 4.22 4.88 2.83 3.18 5.68 4.82 5.09 6.37 2.85 4.1 3.67 3.52 LysoPI(0:0/18:2) 45.21 72.89 44.89 29.35 32.24 53.41 33.48 50.08 45.59 34.59 46.82 59.51 57.6 63.16 52.04 28.17 27.17 61.6 46 50.21 74.89 44.43 37.46 33.58 49.49 36.33 44.26 39.98 37.86 42.47 74.17 57.13 49.21 59.46 33.44 27.26 53.26 36 27.6 43.1 39.56 30.36 52.57 46.7 38.71 55.73 40.81 43.24 0.33 54.45 51.02 47.45 61.43 40.61 28.57 48.02 39.28 53.78 36.01 46.51 28.51 26.39 33.95 29.45 54.19 50.79 42.4 35.41 52.2 51.92 48.14 44.53 33.42 32.05 70.47 48.94 LysoPI(18:2/0:0) 358.42 637.64 370.39 242.12 261.48 477.29 279.98 430.9 428.68 331.3 386.64 512.98 481.24 561.25 445.79 260.72 254.36 572.38 400.75 402.56 666.3 391.81 320.86 310.68 398.34 322.32 397.24 376.78 344.66 379.03 593.76 479.39 404.35 462.13 311.95 213.24 457.81 375.95 257.97 348.86 329.83 291.46 451.67 373.85 347.2 460.65 342.84 324.82 0.96 463.25 432.65 410.29 507.88 353.72 248.96 425.31 359.91 410.85 305.17 344.66 273.67 215.53 263.66 273.69 490.7 481.71 338.75 293.38 458.65 478.75 381.45 352.9 276.49 234.19 569.94 413.48 LysoPI(18:1) 131.32 263.29 117.24 88.38 134.45 142.06 78.31 128.52 104.22 124.17 148.15 171 169.44 198.66 150.98 80.62 108.78 129.64 154.97 181.97 294.19 160.71 146.56 146.11 178.11 105.72 149.94 109.75 160.05 154.77 212.95 147.57 139.98 136.36 136.66 123.07 139.37 143.32 71.13 148 150.14 126.54 166.56 156.07 121.88 183.92 90.8 151.24 0.31 180.11 139.28 129.52 146.25 143.12 148.87 104.66 100.09 183.68 129.02 140.79 142.79 73.45 101.48 82.72 214.85 141.25 176.27 134.07 128.04 135.83 94.86 151.04 101.96 114.93 295.06 182.13 LysoPI(0:0/18:0) 46.43 34.07 35.05 25.96 40.65 34.75 26.72 36.27 41.22 24.41 29.76 30.63 62.12 50.01 43.26 27.17 40.09 49.72 61.33 55.23 30.37 39.27 25.24 29.57 36.18 31.22 32.25 32.22 29.19 36.95 37.45 45.91 32.29 29.28 37.18 35.26 55.61 40.19 27.05 42.29 48.82 32.18 28.73 42.35 29.54 33.4 33.24 39.1 8.23 28.3 51.71 31.3 29.25 45.59 36 41.93 32.24 41.84 33.09 37.46 59.39 17.26 46.89 34.63 34.01 25.69 31.23 26.06 26.45 52.95 30.13 41.29 23.16 27.33 56.27 46.04 LysoPI(18:0/0:0) 520.16 360.02 428.71 302.15 539.99 308.01 323.97 464.37 380.31 316.76 412.95 349.77 872.88 620.68 576.47 393.52 501.57 636.87 815.14 704.58 454.37 519.99 325.17 333.28 507.41 419.11 464.17 412.92 348.22 465.52 459.97 585.74 366.97 313.84 598.39 344.51 661.43 526.45 335.61 474.09 639.5 323.93 415.05 557.71 418.94 445.61 345.24 437.12 153.51 365.92 540.05 305.09 353.32 600.04 460.33 630.65 428.34 442.44 435.97 447.28 683.95 292.61 549.98 339.8 393.08 364.36 384.37 315.4 348.14 645.71 348.3 562.43 299.91 316.9 711.42 663.12 LysoPI(20:5) 2.33 1.62 2.17 0.71 0.27 0.76 0.61 1.06 0.87 0.88 1.57 1.29 1.71 1.52 2.24 1.37 1.41 0.72 1.55 1.57 1.65 2.47 0.59 1.05 0.27 0.65 0.62 0.68 0.58 0.73 1.48 1.55 0.79 2.02 1.77 0.96 1.06 1.43 0.54 0.65 1.71 0.27 1.15 0.27 0.8 1.61 0.86 1.1 0.27 0.96 1.14 0.87 2.36 1.31 1.44 1.03 1.28 1.46 1.06 1.68 0.27 0.27 0.27 0.93 1.63 1.62 0.27 1.07 1.68 1.79 1.28 1.33 1.25 1.57 1.05 0.96 LysoPI(0:0/20:4) 50.25 57.25 48.58 31.51 38.59 52.38 36.11 55.34 44.97 42.13 38.34 49.78 59.3 44.49 47.09 37.96 52.52 49.62 57.65 57.99 53.65 44.82 34.6 41.4 44.33 43.83 48 39.79 39.85 43.83 59.23 52.53 33.8 45.41 41.79 39.58 48.98 48.11 36.65 32.8 52.06 34.74 51.71 39.94 49.37 55.63 40.11 47.94 0.34 50.31 50 34.14 52.28 54.35 51.9 45.49 52.34 48.54 30.42 47.86 32.22 32.43 31.78 39.43 45.03 58.08 41.19 39.48 47.35 52.37 31.15 31.69 35.41 43.88 57.88 39.96 LysoPI(20:4/0:0) 435.8 494.13 439.55 273.11 345 457.73 352.56 474.87 400.65 323.1 362.44 466.07 511.07 387.31 398.44 318.06 409.17 473.55 495.34 514.88 463.44 444.96 330.28 381.63 373.59 364.33 391.42 354.56 372.59 337.04 498.83 503.01 271.68 423.04 398.62 392.42 421.43 438.98 300.61 301.85 463.4 294.73 437.44 396.38 412.92 467.12 343.52 423.01 1.15 436.59 415.1 300.77 460.44 463.97 417.41 453.38 480 465.25 268.11 405.48 295.27 235.33 282.45 320.27 411.43 444.53 355.94 306.98 406.48 420.63 287.64 312.59 329.47 386.28 545.19 389.98 LysoPI(20:3) 72.04 84.89 75.17 38.89 50.95 53.19 29.61 58.15 52.54 43.3 51.89 77.55 81.96 48.48 63.71 45.46 61.49 68.74 78.1 85.79 83.96 72.18 49.35 59.43 48.43 31.36 51.94 53.16 41.59 58.18 72.31 55.9 36.41 65.64 53.69 57.56 63.21 77.58 54.15 55.87 79.38 40.84 70.21 43.38 37.68 66.04 40.79 43.28 0.13 67.66 54.43 34.33 77.1 57.59 61.96 56.22 62.08 83.35 57.43 61.98 42.27 33.6 34.75 36.99 58.86 70.07 39.7 49.94 58.84 50.45 37.95 48.06 40.16 47.4 88.54 57.88 LysoPI(20:2) 7.69 9.9 6.02 3.48 5 6.76 2.11 4.96 8.04 3.98 7.22 7.17 5.64 5.3 6.14 2.24 5.1 5.71 9.76 9.72 9.85 5.33 6.39 6.87 8.01 4.64 6.22 5.27 4.31 7.29 6.52 6.95 3.82 5.35 6.22 1.84 6.11 7.93 2.67 4.84 6.49 3.74 7.8 7.28 4.39 4.3 3.64 4.08 0.54 6.3 5.39 4.71 4.92 7.98 5.87 6.83 6.85 8.25 6.68 4.05 6.63 3.4 5.55 3.9 10.37 5.93 4.31 6.33 5.52 5.93 4.02 4.63 4.38 5.98 9.17 11.02 LysoPI(22:6) 7.65 13.74 10.69 7.71 7.02 9.82 10.76 12.07 8.68 9.27 7.05 13.19 9.25 10.14 9.48 7.56 9.94 12.47 10.63 9.23 12.17 12.24 13.67 10.72 9.2 11.24 10 10.58 11.67 6.96 18.58 9.47 10.07 16.41 9.3 10.46 13.27 11.15 8.31 8.35 11.92 8.37 14.02 10.44 11.54 13.68 7.88 10.82 0.14 10.52 11.92 8.21 12.57 8.07 11.41 9.2 10.92 12.43 9.03 10.2 7.7 6.14 5.69 9.51 12.66 12.07 11.37 4.98 11.47 11.34 9.62 6.01 7.27 11.07 16.34 8.63 LysoPI(22:4) 6.62 6.24 4.92 4.32 4.29 3.63 2.76 5.69 5.11 3.83 6.26 6.54 7.93 9.57 7.19 5.42 5.33 4.79 7.33 5.31 6.62 5.53 5.68 4.61 6.82 4.14 5.37 4.48 4.36 5.21 6.92 5.35 3.55 5.39 5.93 5.18 7.23 7.77 3.95 5.71 5.74 3.73 2.64 5.77 3.99 3.64 3.56 5.27 0.78 7.73 5.74 4.2 6.36 5.46 6.4 7.13 6.78 7.26 5.08 4.24 5.52 1.56 7.66 3.51 6.21 6.46 4.74 3.7 5.14 5.96 3.13 4.9 3.76 7.04 7.44 7.96 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Molecular formula Carnitine C7H15NO3 Acetylcarnitine C9H17NO4 AcCa(3:0) C10H19NO4 AcCa(4:0) C11H21NO4 isoAcCa(4:0) C11H21NO4 AcCa(5:0)2 C12H23NO4 AcCa(5:0)4 C12H23NO4 AcCa(3:0-DC) C10H17NO6 AcCa(6:1) C13H23NO4 AcCa(6:1)1 C13H23NO4 AcCa(6:1)2 C13H23NO4 AcCa(6:0) C13H25NO4 AcCa(4:0-DC) C11H19NO6 AcCa(8:1) C15H27NO4 AcCa(8:0) C15H29NO4 AcCa(6:0-DC) C13H23NO6 AcCa(10:2)1 C17H29NO4 AcCa(10:2)2 C17H29NO4 AcCa(10:2)3 C17H29NO4 AcCa(10:2)4 C17H29NO4 AcCa(10:1)1 C17H31NO4 AcCa(10:1)2 C17H31NO4 AcCa(10:1)3 C17H31NO4 AcCa(10:1)4 C17H31NO4 AcCa(10:0) C17H33NO4 AcCa(12:1)1 C19H35NO4 AcCa(12:1)2 C19H35NO4 AcCa(12:1)3 C19H35NO4 AcCa(12:0) C19H37NO4 AcCa(13:0) C20H39NO4 AcCa(14:2) C21H37NO4 AcCa(14:1)1 C21H39NO4 AcCa(14:1)2 C21H39NO4 AcCa(14:0) C21H41NO4 AcCa(14:2-OH) C21H37NO5 AcCa(14:1-OH) C21H39NO5 AcCa(15:0) C22H43NO4 AcCa(14:0-OH) C21H41NO5 AcCa(16:2) C23H41NO4 AcCa(16:1) C23H43NO4 AcCa(16:0) C23H45NO4 AcCa(16:2-OH) C23H41NO5 AcCa(17:1) C24H45NO4 AcCa(16:1-OH) C23H43NO5 AcCa(17:0) C24H47NO4 AcCa(16:0-OH) C23H45NO5 AcCa(18:3) C25H43NO4 AcCa(18:2) C25H45NO4 AcCa(18:1) C25H47NO4 AcCa(18:0) C25H49NO4 AcCa(17:0-OH) C24H47NO5 AcCa(18:3-OH) C25H43NO5 AcCa(18:2-OH) C25H45NO5 AcCa(18:1-OH) C25H47NO5 AcCa(20:4) C27H45NO4 AcCa(20:3) C27H47NO4 AcCa(20:2) C27H49NO4 AcCa(20:0) C27H53NO4 AcCa(20:2-OH) C27H49NO5 LysoPC(0:0/14:0) C22H46NO7P LysoPC(14:0/0:0) C22H46NO7P LysoPC(16:0p/0:0) C24H50NO6P LysoPC(0:0/15:0) C23H48NO7P LysoPC(15:0/0:0) C23H48NO7P LysoPC(16:0e/0:0) C24H52NO6P LysoPC(0:0/16:1) C24H48NO7P LysoPC(16:1/0:0) C24H48NO7P LysoPC(0:0/16:0) C24H50NO7P LysoPC(16:0/0:0) C24H50NO7P LysoPC(18:1p/0:0) C26H52NO6P LysoPC(17:1/0:0) C25H50NO7P LysoPC(18:0p/0:0) C26H54NO6P LysoPC(17:0/0:0) C25H52NO7P LysoPC(0:0/18:3) C26H48NO7P LysoPC(18:3/0:0) C26H48NO7P LysoPC(0:0/18:2) C26H50NO7P LysoPC(18:2/0:0) C26H50NO7P LysoPC(0:0/18:1) C26H52NO7P LysoPC(18:1/0:0) C26H52NO7P LysoPC(0:0/18:0) C26H54NO7P LysoPC(18:0/0:0) C26H54NO7P LysoPC(0:0/19:0) C27H56NO7P LysoPC(19:0/0:0) C27H56NO7P LysoPC(0:0/20:5) C28H48NO7P LysoPC(20:5/0:0) C28H48NO7P LysoPC(0:0/20:4) C28H50NO7P LysoPC(20:4/0:0) C28H50NO7P LysoPC(0:0/20:3) C28H52NO7P LysoPC(20:3/0:0) C28H52NO7P LysoPC(0:0/20:2) C28H54NO7P LysoPC(20:2/0:0) C28H54NO7P LysoPC(0:0/20:1) C28H56NO7P LysoPC(20:1/0:0) C28H56NO7P LysoPC(0:0/22:6) C30H50NO7P LysoPC(22:6/0:0) C30H50NO7P LysoPC(0:0/22:5n3) C30H52NO7P LysoPC(22:5n3/0:0)+LysoPC(0:0/22:5n6) C30H52NO7P LysoPC(22:5n6/0:0) C30H52NO7P LysoPC(0:0/22:4) C30H54NO7P LysoPC(22:4/0:0) C30H54NO7P LysoPE(0:0/16:0) C21H44NO7P LysoPE(16:0/0:0) C21H44NO7P LysoPE(17:0) C22H46NO7P LysoPE(0:0/18:2) C23H44NO7P LysoPE(18:2/0:0) C23H44NO7P LysoPE(0:0/18:1) C23H46NO7P LysoPE(18:1/0:0) C23H46NO7P LysoPE(0:0/18:0) C23H48NO7P LysoPE(18:0/0:0) C23H48NO7P LysoPE(0:0/20:4) C25H44NO7P LysoPE(20:4/0:0) C25H44NO7P LysoPE(0:0/20:3) C25H46NO7P LysoPE(20:3/0:0) C25H46NO7P LysoPE(0:0/20:2) C25H48NO7P LysoPE(20:2/0:0) C25H48NO7P LysoPE(0:0/20:1) C25H50NO7P LysoPE(20:1/0:0) C25H50NO7P LysoPE(0:0/22:6) C27H44NO7P LysoPE(22:6/0:0) C27H44NO7P LysoPE(0:0/22:5n3) C27H46NO7P LysoPE(22:5n3/0:0)+LysoPE(0:0/22:5n6) C27H46NO7P LysoPE(22:5n6/0:0) C27H46NO7P LysoPE(0:0/22:4) C27H48NO7P LysoPE(22:4/0:0) C27H48NO7P LysoPA(0:0/16:0) C19H39O7P LysoPA(16:0/0:0) C19H39O7P LysoPA(18:2/0:0) C21H39O7P LysoPA(0:0/18:1) C21H41O7P LysoPA(18:1/0:0) C21H41O7P LysoPA(20:4/0:0) C23H39O7P LysoPI(0:0/16:1) C25H47O12P LysoPI(16:1/0:0) C25H47O12P LysoPI(0:0/16:0) C25H49O12P LysoPI(16:0/0:0) C25H49O12P LysoPI(17:0/0:0) C26H51O12P LysoPI(18:3) C27H47O12P LysoPI(0:0/18:2) C27H49O12P LysoPI(18:2/0:0) C27H49O12P LysoPI(18:1) C27H51O12P LysoPI(0:0/18:0) C27H53O12P LysoPI(18:0/0:0) C27H53O12P LysoPI(20:5) C29H47O12P LysoPI(0:0/20:4) C29H49O12P LysoPI(20:4/0:0) C29H49O12P LysoPI(20:3) C29H51O12P LysoPI(20:2) C29H53O12P LysoPI(22:6) C31H49O12P LysoPI(22:4) C31H53O12P METABOLITES_END #END