#METABOLOMICS WORKBENCH CCNR_Lab_20230221_131943 DATATRACK_ID:3759 STUDY_ID:ST002493 ANALYSIS_ID:AN004088 VERSION 1 CREATED_ON 02-27-2023 #PROJECT PR:PROJECT_TITLE Periodic Table of Plants PR:PROJECT_TYPE MS Untargeted Metabolomics PR:PROJECT_SUMMARY The goal of this study was to use metabolomics as a platform to elucidate the PR:PROJECT_SUMMARY chemical composition of plants in order to increase their resolution and in turn PR:PROJECT_SUMMARY use the identified chemicals to reveal potential health impacts. PR:INSTITUTE Northeastern University; Massachusets Institute of Technology PR:DEPARTMENT Department of Physics PR:LABORATORY BarabasiLab PR:LAST_NAME Barabasi PR:FIRST_NAME Albert-Laszlo PR:ADDRESS 177 Huntington Ave, 11th Floor, Boston, MA, 02115, USA PR:EMAIL ccnrad@gmail.com PR:PHONE 6173734071 PR:FUNDING_SOURCE Rockefeller Foundation PR:DOI http://dx.doi.org/10.21228/M8QH77 #STUDY ST:STUDY_TITLE Composition of raw plant-based food items Pilot Study ST:STUDY_TYPE Composition of food ST:STUDY_SUMMARY The goal of this pilot study was to be a preliminary metabolomics study on the ST:STUDY_SUMMARY platforms used to elucidate the chemical composition of plants in order to ST:STUDY_SUMMARY increase their resolution and in turn use the identified chemicals to reveal ST:STUDY_SUMMARY potential health impacts. In this pilot we focused on 6 food items: apple, ST:STUDY_SUMMARY basil, lettuce, strawberry, tomato, and garlic. ST:INSTITUTE Northeastern University; Massachusets Institute of Technology ST:DEPARTMENT Department of Physics ST:LABORATORY BarabasiLab ST:LAST_NAME Barabasi ST:FIRST_NAME Albert-Laszlo ST:ADDRESS 177 Huntington Ave, 11th Floor, Boston, MA, 02115, USA ST:EMAIL ccnrad@gmail.com ST:PHONE 6173734071 ST:SUBMIT_DATE 2023-02-21 #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Malus domestica/Solanum lycopersicum/Lactuca sativa/Fragaria x ananassa/Allium SU:SUBJECT_SPECIES sativum/Ocimum basilicum #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - A1 Species:Apple | Variety:Gala SUBJECT_SAMPLE_FACTORS - B1 Species:Basil | Variety:Sweet SUBJECT_SAMPLE_FACTORS - G1 Species:Garlic | Variety:Softneck SUBJECT_SAMPLE_FACTORS - L1 Species:Lettuce | Variety:Iceberg SUBJECT_SAMPLE_FACTORS - S1 Species:Strawberry | Variety:Honeoye SUBJECT_SAMPLE_FACTORS - T1 Species:Tomato | Variety:Globe type #COLLECTION CO:COLLECTION_SUMMARY Metabolomics experiments were performed on 6 food items collected from Stop & CO:COLLECTION_SUMMARY Shop. The six food items were apple, basil, garlic, lettuce, strawberry, and CO:COLLECTION_SUMMARY tomato for the analysis. CO:SAMPLE_TYPE Plant #TREATMENT TR:TREATMENT_SUMMARY Since we bought the plant-based food items from a local grocery store, the only TR:TREATMENT_SUMMARY treatment prior to metabolomics analysis would be those performed by the TR:TREATMENT_SUMMARY distribution pipeline to get the items to the grocery store. We did not perform TR:TREATMENT_SUMMARY any treatments of our own prior to metabolomics analysis. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY After purchase the items are directly taken into a humidity-controlled room and SP:SAMPLEPREP_SUMMARY exposure to light was minimized. The foods are prepared following how they are SP:SAMPLEPREP_SUMMARY commonly eaten; for example, apples cores are removed. Food items are rinsed SP:SAMPLEPREP_SUMMARY with water if the consumed part is exposed; for example, apples are washed. The SP:SAMPLEPREP_SUMMARY edible parts are sliced and chopped into small 1 cm^3 pieces with a knife on a SP:SAMPLEPREP_SUMMARY glass cutting board. This process is repeated for all six items. About 120 g of SP:SAMPLEPREP_SUMMARY each item are frozen at -80C for 16 hrs and after transferred into a freeze SP:SAMPLEPREP_SUMMARY dryer (Catalog No. 10-269-56B from LabConco/Fisher) and a dark room for 24 hrs. SP:SAMPLEPREP_SUMMARY Afterwards the pieces are put into a coffee grinder (Kitchen Aid, 170W, Model SP:SAMPLEPREP_SUMMARY No. BCG111OBO) and pulverized to yield a fine powder. The powder is stored at SP:SAMPLEPREP_SUMMARY -80C and 200 mg is shipped in argon filled vials under dry ice to the SP:SAMPLEPREP_SUMMARY metabolomics center. Only one sample of each food items was sent. #CHROMATOGRAPHY CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um) CH:COLUMN_TEMPERATURE 65C CH:FLOW_GRADIENT 0 min 15% (B), 0–2 min 15%-30% (B), 2–2.5 min to 30%-48% (B), 2.5–11 min CH:FLOW_GRADIENT to 48%-82% (B), 11–11.5 min to 82%-99% (B), 11.5–12 min 99% (B), 12–12.1 CH:FLOW_GRADIENT min to 99%-15% (B), 12.1–15 min 15% (B) CH:FLOW_RATE 0.6 mL/min CH:SOLVENT_A 60% acetonitrile/40% water; 10 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 90% isopropanol/10% acetonitrile; 10 mM ammonium formate; 0.1% formic acid CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:MS_COMMENTS Additional information is attached in the associated files. MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak intensity MS_METABOLITE_DATA_START Samples A1 B1 G1 L1 S1 T1 Factors Species:Apple | Variety:Gala Species:Basil | Variety:Sweet Species:Garlic | Variety:Softneck Species:Lettuce | Variety:Iceberg Species:Strawberry | Variety:Honeoye Species:Tomato | Variety:Globe type 1_CE 22:1; iSTD 302647218.0000 372099213.0000 380497992.0000 414780444.0000 404525880.0000 350974896.0000 1_Cer d18:1/17:0; iSTD 34379764.0000 55849385.0000 48262109.0000 39437262.0000 56687506.0000 46429032.0000 1_Cholesterol d7 iSTD 794695.0000 923736.0000 1224235.0000 1056556.0000 900088.0000 863254.0000 1_CUDA iSTD 33784320.0000 44370108.0000 43889412.0000 47567060.0000 52613672.0000 49776300.0000 1_DG 12:0/12:0/0:0; iSTD 51670811.0000 75335533.0000 68782665.0000 62468597.0000 79374848.0000 66517475.0000 1_DG 18:1/2:0/0:0; iSTD 251536462.0000 286369956.0000 296897955.0000 258616243.0000 312386187.0000 318010350.0000 1_LPC 17:0; iSTD 30899140.0000 37800552.0000 36492860.0000 35048968.0000 43669956.0000 37335356.0000 1_LPE 17:1; iSTD 5171100.0000 6058840.0000 5582630.0000 5563134.0000 5887616.0000 5418604.0000 1_MG 17:0/0:0/0:0; iSTD 9271982.0000 10527061.0000 12121757.0000 8032918.0000 9006877.0000 9657290.0000 1_PC 12:0/13:0; iSTD 2967428.0000 3951140.0000 3815907.0000 3939684.0000 4682793.0000 3869436.0000 1_PE 17:0/17:0; iSTD 15327239.0000 21949872.0000 23709216.0000 20057816.0000 48706492.0000 21452466.0000 1_SM d18:1/17:0; iSTD 172778144.0000 352716032.0000 231709440.0000 207389248.0000 420886368.0000 240419456.0000 1_Sphingosine d17:1; iSTD 9301267.0000 11146716.0000 11158112.0000 13253495.0000 11290494.0000 16815506.0000 1_TG (14:0/16:1/14:0)-d5 iSTD 8363917.0000 12410256.0000 13802968.0000 12734084.0000 11555544.0000 9213446.0000 1_TG d5 17:0/17:1/17:0; iSTD 38928037.0000 49745707.0000 50601996.0000 49923194.0000 54364278.0000 53063331.0000 acylcarnitine 10:0; 76532.0000 110924.0000 53788.0000 157648.0000 120730.0000 223621.0000 acylcarnitine 10:1; 435201.0000 314599.0000 37411.0000 311353.0000 93568.0000 349314.0000 acylcarnitine 12:1; 24540.0000 18603.0000 29936.0000 126295.0000 117625.0000 1709952.0000 acylcarnitine 14:1; 40838.0000 36664.0000 29158.0000 129468.0000 75376.0000 234866.0000 acylcarnitine 14:2; 265789.0000 203914.0000 245187.0000 431954.0000 425705.0000 175072.0000 AcylGlcADG 50:2; AcylGlcADG 16:0-16:0-18:2; 1635937.0000 5697896.0000 10087.1800 447456.0000 419398.0000 52080.2700 AcylGlcADG 52:4; AcylGlcADG 18:2-16:0-18:2; 1973467.0000 1879121.0000 18403.5600 474184.0000 184036.0000 259902.0000 AcylGlcADG 52:5; 404210.0000 1625271.0000 6386.5400 447728.0000 63865.0000 470335.0000 Ceramide-AP t34:1; Ceramide-AP t18:1/16:0; 949.4500 22526004.0000 949.4500 9495.0000 862785.0000 66168.0000 Ceramide-AP t40:1; Ceramide-AP t18:1/22:0; 293671.0000 18643006.0000 29367.0800 347129.0000 6119748.0000 359002.0000 Ceramide-AP t41:1; Ceramide-AP t18:1/23:0; 660958.0000 5929989.0000 43452.0000 290751.0000 3624131.0000 1071944.0000 Ceramide-AP t41:2; Ceramide-AP t18:1/23:1; 37858.0000 51551.0000 122851.0000 118480.0000 253287.0000 4185572.0000 Ceramide-AP t42:0; Ceramide-AP t18:0/24:0; 1941373.0000 3107639.0000 166396.0000 277952.0000 1137304.0000 431263.0000 Ceramide-AP t42:1; Ceramide-AP t18:1/24:0; 198526.0000 1303414.0000 43059.0000 648911.0000 1872390.0000 822946.0000 Ceramide-AP t42:2; Ceramide-AP t18:1/24:1; 189034.3800 12897103.0000 189034.3800 189034.3800 189034.3800 189034.3800 Ceramide-AP t43:1; Ceramide-AP t18:1/25:0; 841060.0000 5002437.0000 12814.7300 60960.0000 3365858.0000 586227.0000 Ceramide-AP t43:2; Ceramide-AP t18:1/25:1; 9101.0000 1091613.0000 910.1000 910.1000 910.1000 186840.0000 Ceramide-AP t44:1; Ceramide-AP t18:1/26:0; 454612.0000 23673918.0000 16118.1700 28933.2500 6432223.0000 719358.0000 Ceramide-AP t44:2; Ceramide-AP t18:1/26:1; 53894.1700 4069564.0000 53894.1700 53894.1700 53894.1700 53894.1700 Ceramide-AP t45:1; Ceramide-AP t18:1/27:0; 4160.0400 114564.0000 4160.0400 4160.0400 1467829.0000 4160.0400 Ceramide d34:1; 29327.0000 32463.0000 1002.7500 13042.0000 1002.7500 326749.0000 Ceramide d38:1; 9868.3800 98684.0000 9868.3800 9868.3800 9868.3800 9868.3800 Ceramide d40:1; 10370.0000 1036.9900 1036.9900 1036.9900 1036.9900 1036.9900 Ceramide d42:2; A 7292.5100 72925.0000 7292.5100 7292.5100 7292.5100 7292.5100 Ceramide d42:2; B 1562.1800 15622.0000 1562.1800 1562.1800 1562.1800 1562.1800 Ceramide-NS d34:3; Ceramide-NS d18:2/16:1; 698504.0000 14278.7300 142787.0000 499698.0000 373567.0000 742956.0000 cholesteryl ester 18:1; 2018.0500 20180.0000 2018.0500 2018.0500 2018.0500 2018.0500 cholesteryl ester 18:2; 14557.0000 1455.7200 15857.0000 1455.7200 1455.7200 1455.7200 cholesteryl ester 20:2; 1309359.0000 3544156.0000 1306281.0000 2333021.0000 1987613.0000 5280176.0000 cholesteryl ester 20:3; 115433.0000 78451.0000 1225.9100 6808.5700 138274.0000 87669.0000 cholesteryl ester 20:4; 745184.0000 131758.0000 11458.9900 11458.9900 25390.9600 11458.9900 cholesteryl ester 22:6; 1677.6100 1677.6100 1677.6100 1677.6100 1677.6100 16776.0000 DGDG 32:0; DGDG 16:0-16:0; 2524248.0000 290129.0000 245893.0000 53234.3100 18638940.0000 374539.0000 DGDG 34:2; DGDG 16:0-18:2; 8154828.0000 89571104.0000 351658.0000 3302499.0000 14984920.0000 684489.0000 DGDG 34:3; DGDG 16:0-18:3; 2540552.0000 33408994.0000 1378364.0000 1106796.0000 316868544.0000 1521352.0000 DGDG 34:4; DGDG 16:1-18:3; 1131.8000 472245.0000 1131.8000 1131.8000 7134870.0000 11318.0000 DGDG 34:5; DGDG 16:2-18:3; 3319.9800 44745.0000 3319.9800 3319.9800 865707.0000 3319.9800 DGDG 35:3; DGDG 17:0-18:3; 3092.3900 30924.0000 3092.3900 3092.3900 4416630.0000 3092.3900 DGDG 35:6; DGDG 17:2-18:4; 29170.9800 291710.0000 29170.9800 29170.9800 7905304.0000 29170.9800 DGDG 36:2; DGDG 18:0-18:2; 2558106.0000 11700443.0000 24110.8800 1587772.0000 2383826.0000 241109.0000 DGDG 36:3; DGDG 18:0-18:3; 1487307.0000 12357326.0000 613554.0000 2284876.0000 25975179.0000 1588715.0000 DGDG 36:3; DGDG 18:1-18:2; 180433.0000 11840567.0000 18043.2900 231815.0000 1464641.0000 423084.0000 DGDG 36:4; DGDG 18:1-18:3; 3884506.0000 23772548.0000 367191.0000 1448059.0000 15810005.0000 1159101.0000 DGDG 36:5; DGDG 18:2-18:3; 2935093.0000 19842122.0000 882816.0000 649580.0000 52891164.0000 1356406.0000 DGDG 36:6; DGDG 18:2-18:4; 2631868.0000 208086256.0000 850898.0000 2076934.0000 1117973504.0000 9781916.0000 DGDG 38:6; DGDG 18:3-20:3; 4516.3000 3093844.0000 4516.3000 45163.0000 8952996.0000 197510.0000 DGDG 42:2; DGDG 24:0-18:2; 59518.0000 3809209.0000 5951.7800 413171.0000 5951.7800 5951.7800 DGTS 34:1; DGTS 16:0-18:1; 1210.7300 1210.7300 12107.0000 1210.7300 1210.7300 7977732.0000 DGTS 34:2; DGTS 16:0-18:2; 8784.6100 8784.6100 87846.0000 164887.0000 8784.6100 20463172.0000 diacylglycerol 29:4; 4024666.0000 3820360.0000 1117.2800 684994.0000 34669136.0000 860436.0000 diacylglycerol 34:0; diacylglycerol 16:0-18:0; 938238.0000 2432316.0000 399165.0000 956049.0000 1691428.0000 3717890.0000 diacylglycerol 34:1; 1051376.0000 834582.0000 2760554.0000 680872.0000 5968156.0000 16888043.0000 diacylglycerol 34:2; 55183620.0000 71877460.0000 16659970.0000 13421963.0000 48540574.0000 54501986.0000 diacylglycerol 34:3; 165274.0000 486651.0000 1094998.0000 20543.8000 709276.0000 1434559.0000 diacylglycerol 34:3; diacylglycerol 16:0-18:3; 9547229.0000 10675038.0000 418854.0000 892567.0000 48041740.0000 16697471.0000 diacylglycerol 36:0; diacylglycerol 18:0-18:0; 3579133.0000 7323788.0000 1895142.0000 4533821.0000 4186584.0000 8352750.0000 diacylglycerol 36:1; 54833.4300 48465.4300 113147.4300 191159.4300 916637.0000 2868724.0000 diacylglycerol 36:2; 934480.0000 571389.0000 1365094.0000 1633493.0000 1707048.0000 31824095.0000 diacylglycerol 36:2; diacylglycerol 18:0-18:2; 1788757.0000 1428221.0000 468289.0000 727443.0000 2994334.0000 4827624.0000 diacylglycerol 36:3; 1211338.0000 2252628.0000 9310937.0000 4576554.0000 6325167.0000 84685690.0000 diacylglycerol 36:3; diacylglycerol 18:0-18:3; 562562.0000 604044.0000 112666.0000 99923.0000 4790364.0000 2967180.0000 diacylglycerol 36:4; A 11848085.0000 26204938.0000 19250583.0000 8687849.0000 14733665.0000 100045064.0000 diacylglycerol 36:5; diacylglycerol 18:2-18:3; 5668641.0000 39631720.0000 4350542.0000 1419766.0000 51711529.0000 122989433.0000 diacylglycerol 36:6; diacylglycerol 18:3-18:3; 646895.0000 15109736.0000 84401.0000 77693.0000 115499512.0000 24387078.0000 diacylglycerol 38:2; diacylglycerol 20:0-18:2; 340551.0000 674527.0000 158322.0000 679391.0000 640555.0000 3589436.0000 diacylglycerol 38:3; diacylglycerol 20:0-18:3; 22216.0000 263167.0000 2221.6000 2221.6000 831492.0000 1403881.0000 diacylglycerol 38:3; diacylglycerol 20:1-18:2; 1345.7400 31628.0000 132212.0000 18907.0000 50577.0000 910894.0000 diacylglycerol 40:2; diacylglycerol 22:0-18:2; 107537.0000 966261.0000 301220.0000 263682.0000 238983.0000 667938.0000 Gal-Gal-Cer d18:1/16:0; or Lactosylceramide d18:1/16:0; 2331.6800 2331.6800 2331.6800 2331.6800 23317.0000 2331.6800 GlcADG 34:2; GlcADG 16:0-18:2; 1306703.0000 946094.0000 352.0200 379141.0000 144840.0000 116525.0000 GlcCer d40:1; 2061.4600 2061.4600 2061.4600 2061.4600 20615.0000 2061.4600 GlcCer d42:2; 1870.4100 1870.4100 37030.0000 1870.4100 1870.4100 154952.0000 HBMP 50:3; HBMP 16:0-16:0-18:3; 2285.5700 417161.0000 2285.5700 2285.5700 1687376.0000 22856.0000 HBMP 52:4; HBMP 16:0-18:2-18:2; 8587.4900 3293134.0000 85875.0000 8587.4900 797915.0000 231339.0000 HBMP 54:2; HBMP 18:0-18:0-18:2; 6193.6500 61936.0000 6193.6500 6193.6500 2912261.0000 6193.6500 HBMP 54:3; HBMP 18:1-18:1-18:1; 3706.9200 1423800.0000 37070.0000 3706.9200 11791022.0000 406083.0000 HBMP 54:4; HBMP 18:1-18:1-18:2; 3976.8400 3115908.0000 39768.0000 3976.8400 31752372.0000 173394.0000 HexCer-AP t34:1; HexCer-AP t18:1/16:0; 32362.0000 24621506.0000 15493.0000 261974.0000 10997712.0000 1020000.0000 HexCer-AP t36:1; HexCer-AP t18:1/18:0; 27659.0500 276590.0000 27659.0500 27659.0500 8152116.0000 27659.0500 HexCer-AP t38:1; HexCer-AP t18:1/20:0; 2511.1000 586350.0000 2511.1000 67663.0000 4686020.0000 25111.0000 HexCer-AP t40:1; HexCer-AP t18:1/22:0; 812521.0000 1457494.0000 104402.0000 1261823.0000 25107720.0000 422845.0000 HexCer-AP t41:1; HexCer-AP t18:1/23:0; 486295.0000 1534780.0000 397174.0000 2748843.0000 5372507.0000 1162573.0000 HexCer-AP t42:1; HexCer-AP t18:1/24:0; 4979565.0000 4212721.0000 830309.0000 4358054.0000 13631495.0000 5406686.0000 HexCer-AP t42:2; HexCer-AP t18:1/24:1; 11767.1500 5605810.0000 2287.5000 2287.5000 49015.3500 13394.3500 HexCer-AP t43:1; HexCer-AP t18:1/25:0; 735144.0000 811862.0000 261793.0000 1192562.0000 3737335.0000 1473816.0000 HexCer-AP t44:1; HexCer-AP t18:1/26:0; 692710.0000 4688184.0000 246338.0000 633729.0000 20366104.0000 3925401.0000 HexCer-AP t45:1; HexCer-AP t18:1/27:0; 1453.1400 14531.0000 1453.1400 1453.1400 1155616.0000 26971.0000 HexCer-AP t46:1; HexCer-AP t18:1/28:0; 3276.4900 35266.0000 3276.4900 3276.4900 1795195.0000 3276.4900 LDGCC 22:3; 1024774.0000 2311341.0000 15780.5100 157805.0000 13351958.0000 1741064.0000 LPC 14:0; 1847.4600 73703.0000 18475.0000 1847.4600 1847.4600 398476.0000 LPC 14:0-SN1; 7095.0000 254175.0000 84177.0000 469.5300 79135.0000 1410917.0000 LPC 15:0; 14491.0000 770457.0000 82510.0000 1449.1500 28618.0000 29657.0000 LPC 16:0; 5048106.0000 33518914.0000 8707412.0000 1359888.0000 17704328.0000 11468785.0000 LPC 16:1; 690.8800 217198.0000 240229.0000 6909.0000 127826.0000 178317.0000 LPC 17:1; 521.9300 34075.0000 31480.0000 521.9300 40774.0000 49138.0000 LPC 18:0; 534989.0000 2832074.0000 439202.0000 214094.0000 3226821.0000 823306.0000 LPC 18:1; 111991.3300 1978100.0000 2535713.0000 91937.3300 1986589.0000 4764752.0000 LPC 18:2; 2728089.0000 33880587.0000 12475518.0000 772719.0000 7797746.0000 8537568.0000 LPC 18:3; 209817.0000 6688655.0000 336995.0000 8646.0000 3540757.0000 1319778.0000 LPC 18:3-SN1; 1101395.9000 31968899.0000 1311231.0000 171206.9000 44784838.0000 5805811.0000 LPC 20:0; 147311.0000 1062242.0000 28810.0000 84567.0000 380531.0000 96556.0000 LPC 20:1; 5375.8400 186740.0000 111055.0000 5375.8400 66671.0000 97401.0000 LPC 20:2; 491.1400 651375.0000 29394.0000 7439.0000 109367.0000 55373.0000 LPC 20:3; 35808.0000 254688.0000 6426.0000 17640.0000 35607.0000 40446.0000 LPC 20:4; 7512.0000 404.7500 170092.0000 404.7500 404.7500 21409.0000 LPC 20:5; 1229.2300 23164.0000 189474.0000 1229.2300 12292.0000 1229.2300 LPE 16:0; 700617.0000 5694656.0000 2089911.0000 47086.0000 2951498.0000 296291.0000 LPE 18:2; 318535.0000 4307796.0000 1921674.0000 53904.0000 1204070.0000 262446.0000 LPE 18:3; 65323.0000 3201700.0000 118683.0000 40557.0000 3005925.0000 231955.0000 LPE 22:0; 17846.0000 1371022.0000 9479.0000 12596.0000 947.9400 70239.0000 MGDG 34:2; MGDG 16:0-18:2; 6038029.0000 6161569.0000 1000405.0000 947369.0000 13633116.0000 870739.0000 MGDG 34:3; MGDG 16:0-18:3; 988913.0000 4605180.0000 339523.0000 68540.0000 100994976.0000 971383.0000 MGDG 34:4; MGDG 16:1-18:3; 45766.0000 2984733.0000 120302.0000 26279.0500 37116594.0000 676505.0000 MGDG 34:5; MGDG 16:2-18:3; 26349.1400 302201.0000 18107.8000 18107.8000 9212608.0000 66498.1400 MGDG 34:6; MGDG 16:3-18:3; 8985.0000 76896.0000 898.5300 898.5300 12496292.0000 37857.0000 MGDG 36:2; MGDG 18:1-18:1; 155284.0000 574131.0000 248464.0000 808157.0000 436335.0000 1239087.0000 MGDG 36:3; MGDG 18:0-18:3; 171784.0000 625942.0000 15559.5400 2664.3100 9871579.0000 79089.0000 MGDG 36:3; MGDG 18:1-18:2; 429134.0000 1259278.0000 562987.0000 138231.0000 5247385.0000 2113072.0000 MGDG 36:4; MGDG 18:1-18:3; 9017134.0000 13737710.0000 631794.0000 1525594.0000 39545880.0000 2663830.0000 MGDG 36:5; MGDG 18:2-18:3; 4747774.0000 37080948.0000 1125032.0000 1016132.0000 226153312.0000 2228636.0000 MGDG 38:5; MGDG 20:2-18:3; 2138.3800 398705.0000 2138.3800 2138.3800 2852869.0000 2138.3800 MGDG 38:6; MGDG 18:3-20:3; 7083.7600 2292660.0000 7083.7600 7083.7600 19658092.0000 70837.0000 PC 16:0/9:0 CHO; 38510.0000 156047.0000 116408.0000 83799.0000 59172.0000 102113.0000 PC 30:0; 991.8900 109643.0000 169068.0000 991.8900 352652.0000 250376.0000 PC 30:2; 798.5200 798.5200 9315.0000 39521.0000 798.5200 2453241.0000 PC 31:0; 988.6700 29296.0000 170896.0000 988.6700 16369.0000 988.6700 PC 32:0; 747232.0000 927224.0000 2050696.0000 428559.0000 3064983.0000 363703.0000 PC 32:1; 312279.0000 4874208.0000 2624406.0000 340622.0000 2023062.0000 8928857.0000 PC 32:2; 382593.0000 7257284.0000 1517687.0000 1769686.0000 1354194.0000 17096916.0000 PC 32:3; 40977.0000 2199260.0000 30047.0000 183579.0000 812846.0000 6156232.0000 PC 33:0; 1788.2600 17883.0000 40349.0000 1788.2600 97340.0000 1788.2600 PC 33:1; 63172.0000 1257552.0000 1219984.0000 184971.0000 672672.0000 1427421.0000 PC 33:2; 715620.0000 44565488.0000 3712663.0000 2816929.0000 3193206.0000 4892086.0000 PC 33:3; 110621.0000 25775220.0000 901353.0000 399865.0000 2703670.0000 2459478.0000 PC 33:4; 1001.2700 1346788.0000 10270.0000 10013.0000 556097.0000 492895.0000 PC 34:0; 228033.0000 167877.0000 263315.0000 106931.0000 655547.0000 137230.0000 PC 34:1 2241957.0000 15499615.0000 73222356.0000 6734315.0000 44850426.0000 167771008.0000 PC 34:2 137619348.0000 1120276463.0000 420350153.0000 403710230.0000 352676123.0000 462708850.0000 PC 34:3; 1216463.0000 13251176.0000 1169040.0000 2577048.0000 4253730.0000 12417242.0000 PC 34:3; A 611529.0000 684885800.0000 4548609.0000 2111443.0000 34802540.0000 18289236.0000 PC 34:3; B 17714630.0000 671634624.0000 13626173.0000 28583480.0000 471674080.0000 215798624.0000 PC 34:4; 7822.0000 1700229.0000 17698.0000 13622.0000 1212775.0000 199571.0000 PC 34:4; PC 16:1-18:3; 152777.0000 16247038.0000 524637.0000 689807.0000 4189444.0000 4184554.0000 PC 35:1; 54789.0000 234475.0000 1090859.0000 77357.0000 845994.0000 713466.0000 PC 35:2; B 2903078.0000 14938160.0000 9952563.0000 9558328.0000 7183464.0000 6283802.0000 PC 35:3; 247551.0000 6299705.0000 1005421.0000 554817.0000 5161633.0000 3432370.0000 PC 35:4; 76577.0000 4578463.0000 905274.0000 456003.0000 1683991.0000 2158529.0000 PC 35:5; 1524.2600 1714794.0000 33383.0000 15243.0000 912653.0000 555264.0000 PC 36:1; 1198619.0000 3753026.0000 3283500.0000 1985680.0000 6231017.0000 6089854.0000 PC 36:2; 5325706.0000 34993216.0000 14601141.0000 28636953.0000 26696188.0000 36518565.0000 PC 36:3; 62049.0000 1242218.0000 1276423.0000 327034.0000 6204.9300 4584848.0000 PC 36:3; A 1954981.0000 89954696.0000 83061728.0000 23998630.0000 54891892.0000 392054496.0000 PC 36:3; B 1452846.0000 30655782.0000 10105383.0000 4700193.0000 34423484.0000 42214340.0000 PC 36:3; PC 18:0-18:3; 1452846.0000 42125772.0000 3761473.0000 6673418.0000 34423484.0000 22617792.0000 PC 36:4; A 26480544.0000 883178880.0000 176613616.0000 263309856.0000 207094848.0000 470609792.0000 PC 36:4; C 451599.0000 6553530.0000 1653656.0000 1969278.0000 1764678.0000 3007772.0000 PC 36:5; A 9662636.0000 1191566976.0000 13829045.0000 34592120.0000 180534576.0000 451305312.0000 PC 36:5; C 478223.0000 27432270.0000 629973.0000 1259251.0000 5332803.0000 6700305.0000 PC 36:5; D 97081.0000 7702310.0000 177663.0000 619875.0000 3219611.0000 1738670.0000 PC 36:6; PC 18:3-18:3; 1123588.0000 490456613.0000 456605.0000 3047481.0000 215396452.0000 91114662.0000 PC 37:1e; 2264.1000 2264.1000 243679.0000 22641.0000 2264.1000 1176292.0000 PC 37:2; 880.6000 880.6000 8806.0000 10783.0000 595276.0000 120197.0000 PC 37:5; 738.7200 7387.0000 738.7200 738.7200 688660.0000 738.7200 PC 37:6; 727.3100 727.3100 727.3100 727.3100 3250918.0000 727.3100 PC 38:2; 671848.0000 6609198.0000 996796.0000 7229357.0000 1172351.0000 796436.0000 PC 38:3; 65324.0000 5811822.0000 2905711.0000 979461.0000 1947096.0000 2334614.0000 PC 38:4; A 20597.0000 9948949.0000 537035.0000 1580235.0000 3303170.0000 2913147.0000 PC 38:4; B 14126.7400 1237867.0000 141267.0000 217822.0000 2250640.0000 347187.0000 PC 38:4; C 918.6200 65524.0000 24307.0000 9186.0000 28114.0000 153114.0000 PC 38:5; A 61429.5800 614296.0000 61429.5800 61429.5800 1197952.0000 61429.5800 PC 38:5; B 3160.0200 67539.0000 3160.0200 3160.0200 31600.0000 3160.0200 PC 38:5; PC 20:2-18:3; 35964.0000 23403378.0000 133344.0000 834579.0000 4306784.0000 4725255.0000 PC 38:6; 866.1300 7300670.0000 866.1300 866.1300 1302390.0000 951142.0000 PC 38:6; A 8546.5400 356858.0000 104586.0000 8546.5400 868270.0000 85465.0000 PC 38:6; B 2848.5200 166930.0000 37187.0000 114975.0000 2848.5200 210086.0000 PC 38:6; C 111144.0000 4289410.0000 8728528.0000 2524820.0000 1791129.0000 25682632.0000 PC 39:2; 69837.0000 470186.0000 141900.0000 983297.0000 6983.6800 6983.6800 PC 40:2; 214733.0000 5767841.0000 577408.0000 4452992.0000 170308.0000 159155.0000 PC 40:3; 12521.0000 2362766.0000 1252.1500 605166.0000 73992.0000 18883.0000 PC 40:4; 565048.0000 9542340.0000 817232.0000 4847375.0000 33222600.0000 1359828.0000 PC 40:6; B 1699.6100 16996.0000 1699.6100 1699.6100 1699.6100 1699.6100 PC 42:2; PC 24:0-18:2; 205202.0000 8384170.0000 535544.0000 578381.0000 49899.0000 79704.0000 PC 42:3; 56007.0000 4070878.0000 56007.0000 56007.0000 56007.0000 56007.0000 PC 42:4; 974.7300 1809723.0000 974.7300 974.7300 974.7300 974.7300 PC 43:3e; 355758.0000 1271840.0000 2755.9600 2755.9600 113480.0000 27560.0000 PC 44:2e; 44312.0000 1322256.0000 338590.0000 209961.0000 816870.0000 1098132.0000 PC p-34:2/PC o-34:3; 1195.4600 1195.4600 11955.0000 1195.4600 1195.4600 1195.4600 PC p-36:4/PC o-36:5; 2270.7700 2270.7700 2270.7700 2270.7700 22708.0000 2270.7700 PE 32:2; PE 14:0-18:2; 25066.0000 461676.0000 281041.0000 254202.0000 943420.0000 3020756.0000 PE 32:3; PE 14:0-18:3; 1127.3100 164593.0000 1127.3100 11273.0000 12623.0000 1583832.0000 PE 33:2; PE 15:0-18:2; 51622.0000 4001738.0000 482579.0000 233084.0000 315033.0000 531846.0000 PE 33:3; PE 15:0-18:3; 15397.0000 1685438.0000 78958.0000 8704.0000 291950.0000 328649.0000 PE 34:1; PE 16:0-18:1; 191826.4800 1040784.0000 9320958.0000 187991.0000 3338369.0000 10535385.0000 PE 34:2; 14485790.0000 252394990.0000 51366608.0000 40004972.0000 45284193.0000 98705250.0000 PE 34:3; PE 16:0-18:3; 4521102.0000 117102896.0000 2039677.0000 3556166.0000 69244904.0000 55561868.0000 PE 35:2; 185117.0000 891632.0000 531797.0000 614822.0000 486413.0000 442497.0000 PE 36:1; 2252.0300 22520.0000 179834.0000 2252.0300 341467.0000 418668.0000 PE 36:2; 940625.0000 4642658.0000 1116134.0000 4650127.0000 3497889.0000 3983147.0000 PE 36:3; 191613.3100 9415184.0000 4452243.0000 2168679.0000 2306722.3100 19299662.0000 PE 36:3; PE 18:0-18:3; 265823.0000 4867192.0000 232304.0000 690967.0000 7616605.0000 3549798.0000 PE 36:4; 534506.2700 4776710.0000 1660309.2700 5241405.0000 756014.0000 6074159.0000 PE 36:4; PE 18:2-18:2; 5042612.0000 164501776.0000 26403716.0000 74119096.0000 3564800.0000 148651600.0000 PE 36:5; 964.1000 4246613.0000 964.1000 668736.0000 537616.0000 3629410.0000 PE 36:5; PE 18:2-18:3; 1182835.0000 99154296.0000 758857.0000 4501760.0000 23076976.0000 42137344.0000 PE 36:6; PE 18:3-18:3; 94300.0100 18634180.0000 30267.7600 202623.0100 7638290.0000 7934625.0000 PE 38:2; PE 20:0-18:2; 362909.0000 3564107.0000 158113.0000 1057160.0000 1266173.0000 853481.0000 PE 38:3; PE 20:0-18:3; 29823.0000 1849530.0000 2982.2900 88086.0000 1271338.0000 707251.0000 PE 38:5; 2135.9800 1352619.0000 2135.9800 2135.9800 110982.0000 21360.0000 PE 38:7; 48303.2200 1712455.0000 48303.2200 48303.2200 1522454.0000 697095.0000 PE 40:2; PE 22:0-18:2; 278313.0000 10411181.0000 642802.0000 2573051.0000 156464.1300 2322965.0000 PE 40:3; PE 22:0-18:3; 12708.0000 3563064.0000 1270.7500 120229.0000 132231.0000 582489.0000 PE 40:9; 21459.7200 888616.0000 21459.7200 21459.7200 529934.0000 214597.0000 PE 41:2; PE 23:0-18:2; 393157.0000 3751062.0000 440621.0000 572292.0000 363254.0000 1294966.0000 PE 41:3; 1294.8400 1294692.0000 1294.8400 1294.8400 1294.8400 1294.8400 PE 42:2; PE 24:0-18:2; 314717.0000 14896547.0000 602659.0000 1152755.0000 381112.0000 3069990.0000 PE 42:3; PE 24:0-18:3; 1327.9300 10723840.0000 1327.9300 13279.0000 688693.0000 1008269.0000 PE 42:3; PE 24:1-18:2; 977.9300 4421600.0000 977.9300 977.9300 977.9300 9779.0000 PE 42:4; PE 24:1-18:3; 24448.4500 1384326.0000 24448.4500 24448.4500 24448.4500 24448.4500 PG 32:0; PG 16:0-16:0; 1759190.0000 1316.6900 1316.6900 1316.6900 53220628.0000 1316.6900 PG 32:1; PG 16:0-16:1; 176050.0000 17605.0300 17605.0300 17605.0300 87911744.0000 17605.0300 PG 34:0; PG 17:0-17:0; 45761511.0000 98643742.0000 46677293.0000 75190227.0000 114474218.0000 75829090.0000 PG 34:1; PG 16:0-18:1; 535854.0000 1001870.0000 387763.0000 591417.0000 4916276.0000 8639368.0000 PG 34:1; PG 18:0-16:1; 8659.6300 8659.6300 8659.6300 8659.6300 2607548.0000 8659.6300 PG 34:2; PG 16:0-18:2; 799075.0000 45634823.0000 2997306.0000 2129390.0000 20081770.0000 8224856.0000 PG 34:2; PG 16:1-18:1; 281012.2600 436033.2600 164238.2600 171047.2600 7331723.0000 150327.8900 PG 34:3; PG 16:0-18:3; 80362.0000 12338547.0000 316333.0000 253343.0000 16217543.0000 3380882.0000 PG 34:4; PG 16:1-18:3; 91011.1200 4528192.0000 91011.1200 91011.1200 85076908.0000 176729.8600 PG 36:5; PG 18:2-18:3; 19357.8500 1060376.0000 19357.8500 19357.8500 332268.0000 395391.0000 PI 32:0; 2042987.0000 10451787.0000 729285.0000 2617480.0000 32072697.0000 16554991.0000 PI 34:1; 3489.4600 3489.4600 2666316.0000 3489.4600 3692188.0000 8707922.0000 PI 34:2; 6355291.0000 70626858.0000 15278420.0000 11146510.0000 32372888.0000 33608945.0000 PI 34:3; 583733.0000 598961.0000 212930.0000 600624.0000 510221.0000 2649691.0000 PI 36:2; 516281.0000 2861026.0000 1139134.0000 737596.0000 3535825.0000 4471529.0000 PI 36:3; 11319.0000 118121.0000 352967.0000 50055.0000 633609.0000 1255162.0000 PI 36:4; 220723.0000 5290937.0000 874561.0000 575949.0000 1600844.0000 2214382.0000 PI 36:5; 51945.0000 2935208.0000 43137.0000 22593.0000 1606988.0000 969795.0000 PS 34:2; 472151.0000 396691.0000 818510.0000 16830.0000 1070367.0000 1682.9600 PS 36:3; 57408.0000 64879.0000 5426.8200 54268.0000 848937.0000 817478.0000 PS 38:2; 408866.0000 2420902.0000 14746.0000 1043714.0000 4262134.0000 867796.0000 PS 38:3; 105691.0000 3429088.0000 1420.9900 376444.0000 7085990.0000 1597209.0000 PS 40:2; 162297.0000 5614732.0000 965903.0000 324879.0000 6061.8700 60619.0000 PS 40:3; 17033.0000 2007344.0000 1128.3300 66272.0000 11283.0000 163957.0000 PS 41:2; 154047.0000 277776.0000 816838.0000 15404.6700 15404.6700 15404.6700 PS 42:2; 65039.0000 1444003.0000 582138.0000 6503.9100 6503.9100 86334.0000 SM d36:2; 1425.0200 1425.0200 1425.0200 14250.0000 1425.0200 1425.0200 SM d38:1; 2071.5600 2071.5600 20716.0000 2071.5600 2071.5600 2071.5600 SM d38:2; 7589.5500 7589.5500 7589.5500 75895.0000 7589.5500 7589.5500 SM d39:1; 1266.4500 1266.4500 1266.4500 1266.4500 1266.4500 12664.0000 SM d40:0; 1374.3800 1374.3800 1374.3800 1374.3800 1374.3800 13744.0000 SM d40:1; 1403.5800 14036.0000 1403.5800 1403.5800 266270.0000 1403.5800 SM d40:2; B 34994.0200 34994.0200 34994.0200 349940.0000 34994.0200 34994.0200 SM d42:2; 1246.3700 12464.0000 1246.3700 1246.3700 89142.0000 1246.3700 SQDG 34:3; SQDG 16:0-18:3; 749617.0000 15568682.0000 46213.7400 116888.7400 116936193.0000 659970.0000 SQDG 36:3; SQDG 18:0-18:3; 37802.0000 897123.0000 1260.6300 12606.0000 13238935.0000 19096.0000 SQDG 36:4; SQDG 18:1-18:3; 171203.0000 924997.0000 4232.6100 42326.0000 3948820.0000 55563.0000 SQDG 36:5; SQDG 18:2-18:3; 104857.3300 3094762.0000 34483.7000 63377.3300 19188058.0000 74372.3300 SQDG 36:6; SQDG 18:3-18:3; 12215.1400 12090743.0000 12215.1400 12215.1400 65541496.0000 122151.0000 TAG 24:0; 300639.0000 157265.0000 447398.0000 340965.0000 916284.0000 2702700.0000 TAG 26:0; TAG 8:0-8:0-10:0; 428661.0000 285762.0000 770356.0000 583864.0000 1230761.0000 4865352.0000 TAG 28:0; 218793.0000 1903.9100 138107.0000 225514.0000 606938.0000 1582017.0000 TAG 32:0e; 33753.0000 232969.0000 3375.2600 3375.2600 10854518.0000 3375.2600 TAG 34:3e; TAG 18:3e-8:0-8:0; 461139.0000 46434900.0000 284033.0000 245847.0000 322733376.0000 2364894.0000 TAG 42:3; 52451.8100 52451.8100 52451.8100 52451.8100 52451.8100 524518.0000 TAG 44:1; 15747.0000 111844.0000 21965.0000 43758.0000 74198.0000 273739.0000 TAG 46:1; 47236.0000 414977.0000 85695.8800 274122.0000 239579.8800 1083055.0000 TAG 46:2; 4958.4700 263070.2200 38431.2200 16903.2700 69120.2200 1799158.0000 TAG 46:3; A 1663.9600 16640.0000 1663.9600 1663.9600 1663.9600 307025.0000 TAG 46:3; B 7502.8900 7502.8900 7502.8900 7502.8900 7502.8900 479483.0000 TAG 46:4; A 2433.9200 2433.9200 2433.9200 2433.9200 2433.9200 302654.0000 TAG 46:5; 4281.8100 4281.8100 4281.8100 4281.8100 4281.8100 484110.0000 TAG 48:1; 205304.8000 1096839.0000 592298.0000 466272.0000 477026.0000 2303164.0000 TAG 48:2; 92630.0200 1050380.0000 762902.0000 228524.0000 360560.0000 5434794.0000 TAG 48:3; 4460.9100 844611.0000 10149.7700 4460.9100 132644.3300 1776962.0000 TAG 48:4; B 20135.9700 20135.9700 37903.8100 20135.9700 20135.9700 2131465.0000 TAG 48:5; 6691.6700 6691.6700 6691.6700 6691.6700 6691.6700 1967044.0000 TAG 49:1; 38531.6600 216427.6600 267188.6600 466943.0000 398466.6600 360321.5400 TAG 49:2; 103867.0000 310828.0000 570757.0000 159606.0000 276151.0000 1136893.0000 TAG 49:3; 3238.3600 3238.3600 37367.0000 3238.3600 3238.3600 3238.3600 TAG 49:5; TAG 13:1-18:1-18:3; 626350.0000 406993.0000 13912.7700 21449.0000 1851636.0000 1754545.0000 TAG 50:1; 273404.0000 975381.0000 4419376.0000 1465983.0000 1218877.0000 24078431.0000 TAG 50:2; 5647113.0000 5302877.0000 14229231.0000 2835627.0000 3806239.0000 69772909.0000 TAG 50:3; A 52138.0000 1746118.0000 5102900.0000 306655.0000 642032.0000 13847746.0000 TAG 50:3; B 1911216.0000 2385402.0000 2122357.0000 392979.0000 5064184.0000 26663739.3200 TAG 50:4; 41121.0000 520772.0000 3685582.0000 789586.0000 539872.0000 18846726.0000 TAG 50:5; 16701.9500 355273.0000 943401.0000 175259.0000 189761.7800 16685791.0000 TAG 50:6; 6080.0400 84236.0000 18234.5000 6080.0400 80795.5000 4973491.0000 TAG 51:2; 73577.6800 132623.6800 1005355.0000 166740.0000 249206.6800 1906726.0000 TAG 51:3; 19360.1800 59844.5100 2199051.0000 42856.5100 223691.1300 5104898.0000 TAG 51:4; 123192.7500 1112200.0000 3968809.0000 315538.0000 373292.7500 11897735.0000 TAG 51:5; 44242.4400 1674612.0000 6274272.0000 202244.0000 685318.0000 11682578.0000 TAG 51:6; TAG 15:0-18:3-18:3; 13152.2100 579740.0000 932668.0000 23672.0000 526390.0000 3332938.0000 TAG 52:0; 426313.0000 843984.0000 419726.0000 824507.0000 959938.0000 1259049.0000 TAG 52:1; 120474.4300 384477.4300 856398.0000 500978.0000 432777.0000 8075108.0000 TAG 52:2; 1082054.0000 2556340.0000 5754679.0000 4001816.0000 2206595.0000 110135140.0000 TAG 52:3; 1244122.0000 3457808.0000 41360627.0000 4961574.0000 5918545.0000 428199437.0000 TAG 52:4; 13796845.0000 29268602.0000 109592678.0000 27805236.0000 28693849.0000 743546138.0000 TAG 52:4; TAG 17:1-17:1-18:2; 1776.9800 1776.9800 1776.9800 1776.9800 17770.0000 2289214.0000 TAG 52:5; 8919840.0000 40610200.0000 33724855.0000 6528464.0000 60940889.0000 561059730.0000 TAG 52:5; TAG 18:1-16:2-18:2; 1661.6300 1661.6300 1661.6300 1661.6300 16616.0000 2067089.0000 TAG 52:6; 55523.4000 796887.0000 154402.0000 18115.4900 3206056.0000 18346977.0000 TAG 52:6; TAG 16:0-18:3-18:3; 1865095.0000 15456994.0000 2311813.0000 762369.0000 59629607.0000 236798891.0000 TAG 52:6; TAG 16:1-18:2-18:3; 34411.0000 1236434.0000 6314871.0000 293967.0000 3633843.0000 50065550.0000 TAG 52:7; TAG 16:1-18:3-18:3; 11478.9500 315814.0000 369385.0000 23616.3900 1422198.0000 17770835.0000 TAG 53:0; 154824.0000 145157.0000 49364.0000 310089.0000 106729.0000 76645.0000 TAG 53:1; 1473.4400 1473.4400 14734.0000 1473.4400 1473.4400 117403.0000 TAG 53:2; 14805.6700 14805.6700 207134.4600 41810.8700 129503.8700 1468333.0000 TAG 53:3; 6092.4100 21557.9900 1386755.0000 71061.7000 86301.2900 5452076.0000 TAG 53:4; 82222.3300 169232.3300 3989612.0000 444265.0000 584510.0000 13686976.0000 TAG 53:5; 27035.6400 26253.5100 4842737.0000 74824.5100 1078341.0000 10332823.0000 TAG 53:6; TAG 17:0-18:3-18:3; 1372.1700 65383.0000 289505.0000 1372.1700 693717.0000 4301298.0000 TAG 53:6; TAG 17:1-18:2-18:3; 5624.2600 89165.0000 5546665.0000 239726.0000 910115.0000 15105291.0000 TAG 53:7; TAG 17:2-18:2-18:3; 7253.3200 225425.0000 1123332.0000 72533.0000 643923.0000 9756111.0000 TAG 53:8; TAG 17:2-18:3-18:3; 7448.8000 74488.0000 24302.2800 7448.8000 971212.0000 4365128.0000 TAG 54:0; TAG 18:0-18:0-18:0; 807834.0000 1981953.0000 660009.0000 1483157.0000 1774856.0000 3439722.0000 TAG 54:1; 20182.8700 104675.8000 411696.0400 163496.8000 232953.0400 9308412.0000 TAG 54:2; 174952.7200 639636.0000 1600936.0000 983534.0000 547784.0000 35503682.0000 TAG 54:3; 350160.0000 1956985.0000 5264559.0000 4768547.0000 2141598.0000 161613468.0000 TAG 54:4; 1256161.0000 1952995.0000 20535621.0000 5076944.0000 4670137.0000 626368582.0000 TAG 54:5; A 1245277.0000 2113082.0000 90376126.0000 10925283.0000 9408007.0000 1194579028.0000 TAG 54:5; B 459.4700 459.4700 23509.0000 459.4700 4595.0000 2977006.0000 TAG 54:5; TAG 18:0-18:2-18:3; 601829.0000 2520912.0000 10144610.0000 2189535.0000 9686056.0000 471065330.0000 TAG 54:6; A 2393324.0000 7779545.0000 29826513.0000 18703039.0000 6811812.0000 34857981.0000 TAG 54:6; B 4048607.0000 17267433.0000 179949171.0000 46656012.0000 22313835.0000 1897407718.0000 TAG 54:6; C 7029.2300 294716.5900 194367.0000 20891.0300 163615.0000 6526614.0000 TAG 54:7; A 4382010.0000 49416563.0000 83231637.0000 34743512.0000 53708468.0000 2268268824.0000 TAG 54:8; 400376.0000 4949700.0000 2391072.0000 1548344.0000 6288132.0000 9600042.0000 TAG 54:8; TAG 18:2-18:3-18:3; 1911879.0000 37754475.0000 11175917.0000 6879101.0000 89811498.0000 1964254536.0000 TAG 54:9; 355846.0000 14416468.0000 149255.0000 627452.0000 128336258.0000 739108430.0000 TAG 55:1; 1991.8600 19919.0000 36927.0000 1991.8600 21982.0000 421481.0000 TAG 55:2; 12912.0000 1291.1600 120736.0000 1291.1600 1291.1600 681808.0000 TAG 55:3; 3892.7500 3892.7500 167113.0000 3892.7500 3892.7500 715643.0000 TAG 55:5; TAG 19:1-18:2-18:2; 19130.4700 19130.4700 191305.0000 19130.4700 276203.0000 3068032.0000 TAG 55:6; TAG 19:1-18:2-18:3; 1609.5900 23698.0000 113132.0000 16096.0000 209509.0000 3058230.0000 TAG 56:0; 56193.0000 243495.0000 43377.0000 178612.0000 187462.0000 1169791.0000 TAG 56:1; TAG 16:0-22:0-18:1; 1880.7300 1880.7300 258637.0000 23892.0000 40959.0000 3376047.0000 TAG 56:2; 103950.9100 183766.9100 1249495.0000 116493.9100 147637.9100 26068336.0000 TAG 56:3 21795.9400 217959.0000 849519.0000 483525.0000 298240.0000 16333407.0000 TAG 56:3; 19163.1900 312321.6500 1859618.0000 56785.6500 79210.5700 54017769.0000 TAG 56:4; 4617.3100 68802.0000 2068065.0000 207243.0000 39446.6000 24634767.0000 TAG 56:4; TAG 18:1-20:1-18:2; 98821.0000 198297.0000 2964892.0000 549285.0000 574331.0000 33794232.0000 TAG 56:4; TAG 20:0-18:1-18:3; 11103.9600 139802.0000 1272816.0000 349571.0000 111040.0000 13483039.0000 TAG 56:4; TAG 20:0-18:2-18:2; 43744.0000 399726.0000 2428299.0000 668788.0000 265775.0000 97350960.0000 TAG 56:5; A 5891.4700 66895.1300 5116613.0000 46035.9400 249149.1900 53761261.0000 TAG 56:5; B 39433.6600 961995.0000 1126889.0000 326636.2400 1158998.0000 130275583.0000 TAG 56:5; TAG 18:1-18:2-20:2; 135420.0000 289520.0000 10760897.0000 1352026.0000 1336702.0000 40876644.0000 TAG 56:6; 11450.9700 382947.8000 46255.8000 11450.9700 1148355.0000 71314386.0000 TAG 56:6; TAG 20:1-18:2-18:3; 46385.0700 428268.0000 2318043.0000 406846.0000 474726.0000 58433408.0000 TAG 56:7; A 7256.8500 7256.8500 7256.8500 7256.8500 7256.8500 371606.0000 TAG 56:8; A 2422.8100 2422.8100 2422.8100 2422.8100 2422.8100 24228.0000 TAG 56:8; TAG 18:2-18:3-20:3; 39520.1700 395202.0000 39520.1700 39520.1700 477788.0000 8646164.0000 TAG 57:2; 34181.0000 17564.0000 472830.0000 1450.7700 1450.7700 2080952.0000 TAG 57:4; TAG 21:0-18:2-18:2; 4449.2000 4449.2000 984608.0000 44491.0000 4449.2000 3591856.0000 TAG 57:5; TAG 21:0-18:2-18:3; 4994.8900 4994.8900 49949.0000 4994.8900 4994.8900 3511445.0000 TAG 58:1; TAG 16:0-24:0-18:1; 2490.0800 31276.0000 233478.0000 96559.0000 86051.0000 2037768.0000 TAG 58:2; TAG 16:0-24:0-18:2; 6172.3400 123657.5100 762830.0000 6172.3400 66393.5100 10793785.0000 TAG 58:3; 6274.8100 211625.4900 1617476.0000 31288.4900 49521.4900 19174670.0000 TAG 58:4; 5323.3600 441091.0000 3707953.0000 723639.7600 96893.5100 30070087.0000 TAG 58:5; TAG 22:0-18:2-18:3; 2620.3000 572750.0000 535042.0000 95270.0000 127380.0000 24473956.0000 TAG 58:6; 25768.2100 108835.2300 39720.2300 25768.2100 25768.2100 1694815.0000 TAG 58:6; TAG 22:0-18:3-18:3; 12744.6500 226654.0000 12744.6500 12744.6500 136277.0000 11439777.0000 TAG 59:2; TAG 23:0-18:1-18:1; 1520.2700 15203.0000 337000.0000 1520.2700 56807.0000 1995826.0000 TAG 59:3; 80277.3100 80277.3100 870547.0000 80277.3100 80277.3100 3841497.0000 TAG 59:4; TAG 23:0-18:2-18:2; 55831.1900 55831.1900 1746291.0000 55831.1900 70578.5400 6924404.0000 TAG 59:5; TAG 23:0-18:2-18:3; 1821.6900 18217.0000 211186.0000 1821.6900 39831.0000 4412812.0000 TAG 59:6; TAG 23:0-18:3-18:3; 1968.1600 19682.0000 1968.1600 1968.1600 40707.0000 2188434.0000 TAG 60:2; TAG 20:0-22:0-18:2; 4558.3500 101771.0000 357926.0000 104466.0000 45583.0000 3560003.0000 TAG 60:3; TAG 24:0-18:1-18:2; 22259.1900 39244.6400 841857.0000 68484.6400 47359.6400 8397528.0000 TAG 60:4; TAG 24:0-18:1-18:3; 4990.5000 158580.0000 1770530.0000 4990.5000 4990.5000 12545129.0000 TAG 60:5; 2100.3700 221860.0000 2100.3700 2100.3700 2100.3700 28678.0000 TAG 60:5; TAG 24:0-18:2-18:3; 13296.6400 330857.0000 234330.0000 13296.6400 65466.9500 10478144.0000 TAG 60:6; 13591.7200 47439.7700 13591.7200 13591.7200 156042.5100 5543590.0000 TAG 61:3; TAG 25:0-18:1-18:2; 20165.9800 20165.9800 201660.0000 20165.9800 20165.9800 989196.0000 TAG 61:4; TAG 25:0-18:2-18:2; 32659.7900 32659.7900 393279.0000 32659.7900 32659.7900 1467958.0000 TAG 62:3; 1668.8900 1668.8900 94662.0000 1668.8900 16689.0000 967624.0000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 1_CE 22:1; iSTD 11.7 843.4543333 1_Cer d18:1/17:0; iSTD 5.9 553.8584 1_Cholesterol d7 iSTD 4.8 376.3957 1_CUDA iSTD 0.7 341.2798 1_DG 12:0/12:0/0:0; iSTD 4.3 476.629775 1_DG 18:1/2:0/0:0; iSTD 3.2 424.965 1_LPC 17:0; iSTD 1.8 510.3554 1_LPE 17:1; iSTD 1.3 466.2928 1_MG 17:0/0:0/0:0; iSTD 3 358.3025667 1_PC 12:0/13:0; iSTD 3.6 636.4602 1_PE 17:0/17:0; iSTD 6.3 720.5536 1_SM d18:1/17:0; iSTD 5.1 717.5904 1_Sphingosine d17:1; iSTD 1.1 286.2741 1_TG (14:0/16:1/14:0)-d5 iSTD 9.4 780.3515333 1_TG d5 17:0/17:1/17:0; iSTD 11 878.4613333 acylcarnitine 10:0; 0.6 316.2482 acylcarnitine 10:1; 0.6 314.2325 acylcarnitine 12:1; 0.6 342.2639 acylcarnitine 14:1; 0.7 370.2953 acylcarnitine 14:2; 0.7 368.2793 AcylGlcADG 50:2; AcylGlcADG 16:0-16:0-18:2; 8.4 1027.2804 AcylGlcADG 52:4; AcylGlcADG 18:2-16:0-18:2; 8.1 1048.8038 AcylGlcADG 52:5; 7.7 1046.7881 Ceramide-AP t34:1; Ceramide-AP t18:1/16:0; 4.7 570.5087 Ceramide-AP t40:1; Ceramide-AP t18:1/22:0; 6.6 654.6033 Ceramide-AP t41:1; Ceramide-AP t18:1/23:0; 7 679.60985 Ceramide-AP t41:2; Ceramide-AP t18:1/23:1; 6.9 666.6036 Ceramide-AP t42:0; Ceramide-AP t18:0/24:0; 7.6 695.6413 Ceramide-AP t42:1; Ceramide-AP t18:1/24:0; 6.8 682.6343 Ceramide-AP t42:2; Ceramide-AP t18:1/24:1; 6.6 691.6098 Ceramide-AP t43:1; Ceramide-AP t18:1/25:0; 7.6 707.64155 Ceramide-AP t43:2; Ceramide-AP t18:1/25:1; 6.9 694.6346 Ceramide-AP t44:1; Ceramide-AP t18:1/26:0; 7.9 721.6566 Ceramide-AP t44:2; Ceramide-AP t18:1/26:1; 7.3 708.6503 Ceramide-AP t45:1; Ceramide-AP t18:1/27:0; 8.3 724.6824 Ceramide d34:1; 5.6 538.5195 Ceramide d38:1; 7 616.5667 Ceramide d40:1; 7.6 622.613 Ceramide d42:2; A 7.6 659.6199 Ceramide d42:2; B 7.7 670.611 Ceramide-NS d34:3; Ceramide-NS d18:2/16:1; 4.5 534.4881 cholesteryl ester 18:1; 10.8 668.6341 cholesteryl ester 18:2; 10.4 666.6187 cholesteryl ester 20:2; 10.7 697.1272 cholesteryl ester 20:3; 10.4 695.11165 cholesteryl ester 20:4; 10.1 693.096 cholesteryl ester 22:6; 9.8 714.6183 DGDG 32:0; DGDG 16:0-16:0; 5.4 913.1239 DGDG 34:2; DGDG 16:0-18:2; 5 934.6461 DGDG 34:3; DGDG 16:0-18:3; 4.6 932.6311 DGDG 34:4; DGDG 16:1-18:3; 4.2 930.6154 DGDG 34:5; DGDG 16:2-18:3; 3.9 928.5989 DGDG 35:3; DGDG 17:0-18:3; 4.8 946.6466 DGDG 35:6; DGDG 17:2-18:4; 3.8 943.0773 DGDG 36:2; DGDG 18:0-18:2; 5.6 965.15585 DGDG 36:3; DGDG 18:0-18:3; 5.2 963.13955 DGDG 36:3; DGDG 18:1-18:2; 5.1 960.6619 DGDG 36:4; DGDG 18:1-18:3; 4.7 958.6461 DGDG 36:5; DGDG 18:2-18:3; 4.3 956.6306 DGDG 36:6; DGDG 18:2-18:4; 4 954.6159 DGDG 38:6; DGDG 18:3-20:3; 4.4 985.12465 DGDG 42:2; DGDG 24:0-18:2; 7.5 1049.2501 DGTS 34:1; DGTS 16:0-18:1; 5.9 738.624 DGTS 34:2; DGTS 16:0-18:2; 5.4 736.6083 diacylglycerol 29:4; 8.3 536.4377 diacylglycerol 34:0; diacylglycerol 16:0-18:0; 7.5 614.5719 diacylglycerol 34:1; 6.9 621.1845333 diacylglycerol 34:2; 6.4 619.1689 diacylglycerol 34:3; 5.8 617.1532333 diacylglycerol 34:3; diacylglycerol 16:0-18:3; 5.9 608.5248 diacylglycerol 36:0; diacylglycerol 18:0-18:0; 8.1 653.06795 diacylglycerol 36:1; 7.5 649.2161 diacylglycerol 36:2; 6.9 647.2002333 diacylglycerol 36:2; diacylglycerol 18:0-18:2; 7 638.572 diacylglycerol 36:3; 6.4 645.1844333 diacylglycerol 36:3; diacylglycerol 18:0-18:3; 6.5 636.5565 diacylglycerol 36:4; A 5.9 643.1688667 diacylglycerol 36:5; diacylglycerol 18:2-18:3; 5.4 624.0116 diacylglycerol 36:6; diacylglycerol 18:3-18:3; 5 630.5095 diacylglycerol 38:2; diacylglycerol 20:0-18:2; 7.7 669.08115 diacylglycerol 38:3; diacylglycerol 20:0-18:3; 7.2 664.5875 diacylglycerol 38:3; diacylglycerol 20:1-18:2; 7 664.5881 diacylglycerol 40:2; diacylglycerol 22:0-18:2; 8.3 694.635 Gal-Gal-Cer d18:1/16:0; or Lactosylceramide d18:1/16:0; 4.8 862.6245 GlcADG 34:2; GlcADG 16:0-18:2; 4.9 786.5725 GlcCer d40:1; 7 784.6651 GlcCer d42:2; 7 792.666 HBMP 50:3; HBMP 16:0-16:0-18:3; 7.4 1000.7595 HBMP 52:4; HBMP 16:0-18:2-18:2; 7.4 1026.774 HBMP 54:2; HBMP 18:0-18:0-18:2; 8.6 1058.8231 HBMP 54:3; HBMP 18:1-18:1-18:1; 8.1 1059.2862 HBMP 54:4; HBMP 18:1-18:1-18:2; 7.7 1054.7927 HexCer-AP t34:1; HexCer-AP t18:1/16:0; 4.3 732.5619 HexCer-AP t36:1; HexCer-AP t18:1/18:0; 4.8 760.593 HexCer-AP t38:1; HexCer-AP t18:1/20:0; 5.4 788.6246 HexCer-AP t40:1; HexCer-AP t18:1/22:0; 6.2 816.6564 HexCer-AP t41:1; HexCer-AP t18:1/23:0; 6.4 841.66325 HexCer-AP t42:1; HexCer-AP t18:1/24:0; 6.8 855.67855 HexCer-AP t42:2; HexCer-AP t18:1/24:1; 6.1 853.66295 HexCer-AP t43:1; HexCer-AP t18:1/25:0; 7.1 869.69425 HexCer-AP t44:1; HexCer-AP t18:1/26:0; 7.4 883.70865 HexCer-AP t45:1; HexCer-AP t18:1/27:0; 7.7 886.7351 HexCer-AP t46:1; HexCer-AP t18:1/28:0; 8 900.7499 LDGCC 22:3; 3.5 568.4272 LPC 14:0; 1 468.3087 LPC 14:0-SN1; 0.8 468.3087 LPC 15:0; 1.2 482.324 LPC 16:0; 1.4 507.3308 LPC 16:1; 1.1 494.3241 LPC 17:1; 1.3 508.3402 LPC 18:0; 2.2 535.3621 LPC 18:1; 1.6 533.3465 LPC 18:2; 1.2 531.3307 LPC 18:3; 1 518.3242 LPC 18:3-SN1; 0.8 529.31495 LPC 20:0; 3.1 552.4023 LPC 20:1; 2.4 550.3864 LPC 20:2; 1.8 548.3713 LPC 20:3; 1.4 546.3557 LPC 20:4; 1.2 544.3399 LPC 20:5; 0.9 542.3242 LPE 16:0; 1.5 454.2927 LPE 18:2; 1.2 478.2927 LPE 18:3; 0.8 476.2771 LPE 22:0; 3.6 538.3868 MGDG 34:2; MGDG 16:0-18:2; 5.5 775.07085 MGDG 34:3; MGDG 16:0-18:3; 5.1 770.5772 MGDG 34:4; MGDG 16:1-18:3; 4.6 771.0398 MGDG 34:5; MGDG 16:2-18:3; 4.2 769.02435 MGDG 34:6; MGDG 16:3-18:3; 3.9 764.5307 MGDG 36:2; MGDG 18:1-18:1; 6.1 800.6248 MGDG 36:3; MGDG 18:0-18:3; 5.7 801.08695 MGDG 36:3; MGDG 18:1-18:2; 5.6 801.0862 MGDG 36:4; MGDG 18:1-18:3; 5.1 796.593 MGDG 36:5; MGDG 18:2-18:3; 4.7 794.5776 MGDG 38:5; MGDG 20:2-18:3; 5.2 822.6087 MGDG 38:6; MGDG 18:3-20:3; 4.8 823.0708 PC 16:0/9:0 CHO; 2.3 650.4404 PC 30:0; 4.9 706.5378 PC 30:2; 4 702.5067 PC 31:0; 5.2 720.552 PC 32:0; 5.5 734.5696 PC 32:1; 5 732.5537 PC 32:2; 4.5 730.538 PC 32:3; 4.1 728.5228 PC 33:0; 5.7 748.584 PC 33:1; 5.2 746.5694 PC 33:2; 4.8 744.5533 PC 33:3; 4.4 742.5379 PC 33:4; 4.1 740.5226 PC 34:0; 6.2 762.6012 PC 34:1 5.6 760.5854_782.567 PC 34:2 5.2 758.5693_788.5379 PC 34:3; 4.7 778.5362 PC 34:3; A 4.6 767.54475 PC 34:3; B 4.7 756.5536 PC 34:4; 4.4 754.5426 PC 34:4; PC 16:1-18:3; 4.2 754.5419 PC 35:1; 5.9 774.6004 PC 35:2; B 5.4 772.5848 PC 35:3; 5 770.5693 PC 35:4; 4.5 768.554 PC 35:5; 4.1 766.5389 PC 36:1; 6.2 799.6076 PC 36:2; 5.7 797.59205 PC 36:3; 5.2 806.567 PC 36:3; A 5.1 784.5853 PC 36:3; B 5.2 784.5854 PC 36:3; PC 18:0-18:3; 5.3 784.585 PC 36:4; A 4.7 782.5692 PC 36:4; C 5 782.5698 PC 36:5; A 4.3 780.5541 PC 36:5; C 4.5 780.5532 PC 36:5; D 4.6 780.5541 PC 36:6; PC 18:3-18:3; 4 789.529 PC 37:1e; 6.5 788.6409 PC 37:2; 6 800.6149 PC 37:5; 4.9 794.5692 PC 37:6; 4.6 792.5535 PC 38:2; 6.3 814.6323 PC 38:3; 5.9 812.6168 PC 38:4; A 5.3 810.6009 PC 38:4; B 5.4 810.601 PC 38:4; C 5.6 810.6009 PC 38:5; A 5 808.5853 PC 38:5; B 5.2 808.5853 PC 38:5; PC 20:2-18:3; 4.8 808.5853 PC 38:6; 4.4 806.5692 PC 38:6; A 4.6 806.5699 PC 38:6; B 4.8 806.5698 PC 38:6; C 5.1 806.5665 PC 39:2; 6.7 828.6475 PC 40:2; 7 842.6638 PC 40:3; 6.6 840.648 PC 40:4; 6.1 827.64715 PC 40:6; B 5.4 834.6011 PC 42:2; PC 24:0-18:2; 7.7 870.6951 PC 42:3; 7 868.6795 PC 42:4; 6.6 866.6635 PC 43:3e; 7.7 868.704 PC 44:2e; 7.9 884.7343 PC p-34:2/PC o-34:3; 5.4 742.5745 PC p-36:4/PC o-36:5; 5.2 766.5746 PE 32:2; PE 14:0-18:2; 4.6 688.4911 PE 32:3; PE 14:0-18:3; 4.2 686.4755 PE 33:2; PE 15:0-18:2; 4.9 702.507 PE 33:3; PE 15:0-18:3; 4.5 700.4913 PE 34:1; PE 16:0-18:1; 5.7 729.52905 PE 34:2; 5.2 727.51315 PE 34:3; PE 16:0-18:3; 4.8 714.5065 PE 35:2; 5.5 730.5385 PE 36:1; 6.3 746.5689 PE 36:2; 5.8 755.54465 PE 36:3; 5.3 753.529 PE 36:3; PE 18:0-18:3; 5.4 742.5385 PE 36:4; 5 751.5127 PE 36:4; PE 18:2-18:2; 4.8 740.5221 PE 36:5; 4.4 760.4849 PE 36:5; PE 18:2-18:3; 4.4 738.507 PE 36:6; PE 18:3-18:3; 4.1 747.481 PE 38:2; PE 20:0-18:2; 6.5 772.5851 PE 38:3; PE 20:0-18:3; 6 770.5698 PE 38:5; 4.9 766.5369 PE 38:7; 3.3 762.4916 PE 40:2; PE 22:0-18:2; 7.1 811.6073 PE 40:3; PE 22:0-18:3; 6.7 798.6011 PE 40:9; 3.1 786.492 PE 41:2; PE 23:0-18:2; 7.5 814.632 PE 41:3; 6.8 812.6172 PE 42:2; PE 24:0-18:2; 7.8 839.63885 PE 42:3; PE 24:0-18:3; 7.3 826.6321 PE 42:3; PE 24:1-18:2; 7.1 826.6324 PE 42:4; PE 24:1-18:3; 6.7 824.6163 PG 32:0; PG 16:0-16:0; 4.8 740.5466 PG 32:1; PG 16:0-16:1; 4.6 738.5278 PG 34:0; PG 17:0-17:0; 5.4 760.0618 PG 34:1; PG 16:0-18:1; 4.9 766.5593 PG 34:1; PG 18:0-16:1; 5.2 766.5593 PG 34:2; PG 16:0-18:2; 4.5 756.03045 PG 34:2; 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8 737.10685 TAG 44:1; 9.4 766.6927 TAG 46:1; 9.9 803.3515667 TAG 46:2; 9.5 801.3352333 TAG 46:3; A 9 790.6938 TAG 46:3; B 9.1 790.6915 TAG 46:4; A 8.6 788.6794 TAG 46:5; 8.1 789.13785 TAG 48:1; 10.4 831.3833667 TAG 48:2; 10 829.3676333 TAG 48:3; 9.5 827.3514 TAG 48:4; B 9.1 825.3366667 TAG 48:5; 8.7 823.3193 TAG 49:1; 10.6 845.3992 TAG 49:2; 10.2 837.2326 TAG 49:3; 9.8 832.7388 TAG 49:5; TAG 13:1-18:1-18:3; 7 839.68345 TAG 50:1; 10.8 859.415 TAG 50:2; 10.4 857.3987667 TAG 50:3; A 10 849.23275 TAG 50:3; B 10.1 855.3832 TAG 50:4; 9.6 853.3676 TAG 50:5; 9.2 851.3518 TAG 50:6; 8.8 843.18565 TAG 51:2; 10.6 871.4148667 TAG 51:3; 10.2 869.3989 TAG 51:4; 9.9 867.383 TAG 51:5; 9.5 865.3679 TAG 51:6; TAG 15:0-18:3-18:3; 9.1 857.20125 TAG 52:0; 11.5 891.2973 TAG 52:1; 11.2 887.4455333 TAG 52:2; 10.8 885.4299667 TAG 52:3; 10.5 883.4143667 TAG 52:4; 10.1 881.3986333 TAG 52:4; TAG 17:1-17:1-18:2; 9.3 877.7221 TAG 52:5; 9.7 879.3832333 TAG 52:5; TAG 18:1-16:2-18:2; 8.9 875.7141 TAG 52:6; 9.4 877.3673667 TAG 52:6; TAG 16:0-18:3-18:3; 9.3 877.3675 TAG 52:6; TAG 16:1-18:2-18:3; 9.3 871.2172 TAG 52:7; TAG 16:1-18:3-18:3; 8.9 869.20135 TAG 53:0; 11.7 894.8484 TAG 53:1; 11.4 892.8316 TAG 53:2; 11 899.4464333 TAG 53:3; 10.7 897.4304667 TAG 53:4; 10.3 895.4143667 TAG 53:5; 9.9 893.3986667 TAG 53:6; TAG 17:0-18:3-18:3; 9.6 882.7549 TAG 53:6; TAG 17:1-18:2-18:3; 9.5 885.23255 TAG 53:7; TAG 17:2-18:2-18:3; 9.1 883.2168 TAG 53:8; TAG 17:2-18:3-18:3; 8.7 881.20115 TAG 54:0; TAG 18:0-18:0-18:0; 11.9 911.34265 TAG 54:1; 11.6 915.4763333 TAG 54:2; 11.2 913.4615 TAG 54:3; 10.8 911.4454667 TAG 54:4; 10.5 909.4299 TAG 54:5; A 10.1 907.4140333 TAG 54:5; B 10.3 898.7858 TAG 54:5; TAG 18:0-18:2-18:3; 10.2 901.26375 TAG 54:6; A 9.7 909.71175 TAG 54:6; B 9.8 905.3982333 TAG 54:6; C 10 905.399 TAG 54:7; A 9.3 903.3827333 TAG 54:8; 9 913.6675 TAG 54:8; TAG 18:2-18:3-18:3; 9 895.21645 TAG 54:9; 8.6 893.2011 TAG 55:1; 11.7 920.8644 TAG 55:2; 11.4 918.8485 TAG 55:3; 11.1 916.8324 TAG 55:5; TAG 19:1-18:2-18:2; 10.3 912.8022 TAG 55:6; TAG 19:1-18:2-18:3; 10 910.7864 TAG 56:0; 11.9 936.8928 TAG 56:1; TAG 16:0-22:0-18:1; 11.9 934.8801 TAG 56:2; 11.6 941.4928667 TAG 56:3 10.8 930.8473 TAG 56:3; 11.2 939.4771 TAG 56:4; 10.9 939.29795 TAG 56:4; TAG 18:1-20:1-18:2; 10.5 928.8319 TAG 56:4; TAG 20:0-18:1-18:3; 10.9 933.7879 TAG 56:4; TAG 20:0-18:2-18:2; 10.9 928.8331 TAG 56:5; A 10.5 935.4461667 TAG 56:5; B 10.6 935.4456333 TAG 56:5; TAG 18:1-18:2-20:2; 10.1 926.8163 TAG 56:6; 10.3 933.4302667 TAG 56:6; TAG 20:1-18:2-18:3; 10.2 927.27895 TAG 56:7; A 10 925.26375 TAG 56:8; A 9.6 920.771 TAG 56:8; TAG 18:2-18:3-20:3; 9.4 920.7698 TAG 57:2; 11.8 946.8804 TAG 57:4; TAG 21:0-18:2-18:2; 11.1 945.3268 TAG 57:5; TAG 21:0-18:2-18:3; 10.8 940.8323 TAG 58:1; TAG 16:0-24:0-18:1; 12 962.911 TAG 58:2; TAG 16:0-24:0-18:2; 11.9 963.3739 TAG 58:3; 11.6 967.5083667 TAG 58:4; 11.3 965.4929333 TAG 58:5; TAG 22:0-18:2-18:3; 11 957.3267 TAG 58:6; 10.7 963.297 TAG 58:6; TAG 22:0-18:3-18:3; 10.7 955.311 TAG 59:2; TAG 23:0-18:1-18:1; 12 974.9114 TAG 59:3; 11.8 975.3739 TAG 59:4; TAG 23:0-18:2-18:2; 11.5 973.35835 TAG 59:5; TAG 23:0-18:2-18:3; 11.2 968.8653 TAG 59:6; TAG 23:0-18:3-18:3; 10.9 966.8488 TAG 60:2; TAG 20:0-22:0-18:2; 12 988.9272 TAG 60:3; TAG 24:0-18:1-18:2; 11.9 989.3893 TAG 60:4; TAG 24:0-18:1-18:3; 11.7 987.3737 TAG 60:5; 11.3 982.8789 TAG 60:5; TAG 24:0-18:2-18:3; 11.4 985.3581 TAG 60:6; 11.1 989.4932333 TAG 61:3; TAG 25:0-18:1-18:2; 12 1000.9269 TAG 61:4; TAG 25:0-18:2-18:2; 11.8 998.9112 TAG 62:3; 11.9 1014.9367 METABOLITES_END #END