[{"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/C16:0-NIL]|L2D (LMPTD00000075)", "MOLECULEMASS": "1954.4749", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "101", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1955.4822", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1954.474900", "SPLASH": "splash10-0a6u-4090607706-5c28afbc278c89f51710"}, "peaks": [[1954.4749, 582.0], [1726.266, 1900.0], [1710.2711, 388.0], [1482.0621, 6047.0], [1273.8794, 2732.0], [1255.8688, 9272.0], [1202.8059, 977.0], [999.6286, 4632.0], [994.6232, 977.0], [976.6126, 2781.0], [916.5915, 784.0], [799.451, 1172.0], [776.435, 582.0], [708.4088, 6977.0], [690.3982, 10000.0], [648.3877, 784.0], [490.2206, 2247.0], [430.1995, 784.0], [96.9691, 1803.0], [78.9585, 5368.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl-aminoarabinose di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/C16:0-PAra4N]|L2D (LMPTD00000093)", "MOLECULEMASS": "2165.4995", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "102", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2166.5068", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2165.499500", "SPLASH": "splash10-053r-9310211511-9f5a65dd2e77f2cfa19a"}, "peaks": [[2165.4995, 200.0], [2147.4889, 225.0], [2034.4412, 10000.0], [2016.4307, 825.0], [1954.4749, 525.0], [1936.4643, 1055.0], [1806.2323, 1596.0], [1790.2374, 3935.0], [1788.2217, 185.0], [1772.2268, 817.0], [1726.266, 357.0], [1710.2711, 698.0], [1708.2554, 1838.0], [1692.2605, 944.0], [1562.0285, 1449.0], [1544.0179, 287.0], [1482.0621, 2183.0], [1464.0516, 964.0], [1255.8688, 948.0], [1237.8583, 443.0], [1144.8004, 225.0], [981.618, 283.0], [948.6541, 295.0], [916.5915, 316.0], [704.4503, 238.0], [690.3982, 345.0], [686.4397, 176.0], [648.3877, 193.0], [430.1995, 242.0], [228.0273, 49.0], [210.0167, 447.0], [176.9354, 1018.0], [158.9248, 3213.0], [96.9691, 611.0], [78.9585, 1190.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/NIL-C14:0_(OH)/C10:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000213)", "MOLECULEMASS": "1251.8223", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "103", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1252.8296", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1251.822300", "SPLASH": "splash10-0pir-9040004602-0f99d2d251a968a28b7b"}, "peaks": [[1251.8223, 5170.0], [1233.8117, 1501.0], [1025.629, 598.0], [1007.6184, 10000.0], [966.5919, 2884.0], [948.5813, 598.0], [835.4721, 598.0], [740.3986, 3107.0], [722.388, 7679.0], [680.3775, 3593.0], [662.3669, 1987.0], [620.3564, 598.0], [602.3458, 264.0], [550.2417, 598.0], [490.2206, 897.0], [448.21, 598.0], [350.2331, 299.0], [96.9691, 897.0], [78.9585, 2995.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0_(OH)-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000049)", "MOLECULEMASS": "1840.2378", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "104", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1841.2451", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1840.237800", "SPLASH": "splash10-0a6r-7921330310-e04e40c93aaaca33738c"}, "peaks": [[1840.2378, 1961.0], [1822.2272, 493.0], [1760.2714, 493.0], [1742.2609, 493.0], [1612.0288, 655.0], [1596.0339, 1689.0], [1578.0234, 1253.0], [1516.0676, 818.0], [1514.052, 1390.0], [1498.057, 1143.0], [1367.825, 1280.0], [1349.8144, 818.0], [1287.8587, 1170.0], [1269.8481, 1988.0], [1188.8266, 325.0], [1061.6654, 1609.0], [1043.6548, 1636.0], [960.6177, 493.0], [900.5966, 493.0], [799.451, 1201.0], [752.435, 493.0], [734.4244, 1825.0], [710.4244, 493.0], [490.2206, 818.0], [466.2206, 493.0], [448.21, 818.0], [430.1995, 655.0], [412.1889, 655.0], [332.2226, 655.0], [176.9354, 2559.0], [158.9248, 10000.0], [96.9691, 2014.0], [78.9585, 5066.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C13:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000060)", "MOLECULEMASS": "1702.2296", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "105", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1703.2369", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1702.229600", "SPLASH": "splash10-00mo-9000205110-325ae28e77b5366c3a73"}, "peaks": [[1702.2296, 215.0], [1474.0207, 236.0], [1458.0257, 378.0], [1229.8168, 1083.0], [1188.7903, 279.0], [1035.6498, 1623.0], [1017.6392, 4877.0], [994.6232, 426.0], [976.6126, 1061.0], [817.4616, 2486.0], [708.4088, 2239.0], [690.3982, 10000.0], [648.3877, 294.0], [490.2206, 3542.0], [448.21, 389.0], [430.1995, 673.0], [96.9691, 2575.0], [78.9585, 6705.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C13:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000071)", "MOLECULEMASS": "1702.2296", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "106", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1703.2369", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1702.229600", "SPLASH": "splash10-002f-9000204100-6d37747e892554e4234f"}, "peaks": [[1702.2296, 187.0], [1458.0257, 257.0], [1243.8325, 1165.0], [1035.6498, 2195.0], [1017.6392, 5323.0], [994.6232, 328.0], [976.6126, 1110.0], [916.5915, 272.0], [817.4616, 1630.0], [708.4088, 2286.0], [690.3982, 10000.0], [630.3771, 328.0], [490.2206, 4122.0], [448.21, 363.0], [430.1995, 530.0], [96.9691, 3557.0], [78.9585, 8350.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C13:0_(OH)-P]|L2D (LMPTD00000055)", "MOLECULEMASS": "1459.8724", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "107", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1460.8797", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1459.872400", "SPLASH": "splash10-0a6r-4901302201-1467dcdc8a2cce4c75f5"}, "peaks": [[1459.8724, 2102.0], [1441.8618, 751.0], [1361.8955, 1616.0], [1191.7648, 789.0], [1173.7542, 1241.0], [1131.7073, 527.0], [961.5766, 751.0], [943.566, 1946.0], [892.5187, 637.0], [832.4976, 558.0], [743.3884, 1089.0], [740.3986, 1195.0], [722.388, 2253.0], [680.3775, 789.0], [662.3669, 2064.0], [620.3564, 413.0], [602.3458, 376.0], [522.2104, 520.0], [462.1893, 1051.0], [420.1787, 401.0], [402.1682, 971.0], [384.1576, 413.0], [176.9354, 3118.0], [158.9248, 10000.0], [96.9691, 2367.0], [78.9585, 4757.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl-aminoarabinose di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-PAra4N]|L2D (LMPTD00000086)", "MOLECULEMASS": "1576.9149", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "108", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1577.9222", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1576.914900", "SPLASH": "splash10-0002-1402901100-892efa6b0d0ab3feaf5b"}, "peaks": [[1576.9149, 261.0], [1558.9044, 252.0], [1445.8567, 10000.0], [1427.8461, 731.0], [1365.8904, 341.0], [1347.8798, 2297.0], [1177.7491, 911.0], [1159.7386, 1247.0], [943.566, 875.0], [910.5293, 175.0], [892.5187, 636.0], [850.5082, 181.0], [832.4976, 175.0], [743.3884, 433.0], [740.3986, 454.0], [722.388, 828.0], [680.3775, 292.0], [662.3669, 565.0], [654.3618, 200.0], [620.3564, 209.0], [602.3458, 202.0], [522.2104, 175.0], [462.1893, 596.0], [402.1682, 243.0], [228.0273, 104.0], [210.0167, 863.0], [176.9354, 1075.0], [158.9248, 2772.0], [96.9691, 703.0], [78.9585, 1465.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000103)", "MOLECULEMASS": "1053.6603", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "109", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1054.6676", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1053.660300", "SPLASH": "splash10-016r-7000010900-7bb16290c0f1ca0bc9c2"}, "peaks": [[1053.6603, 2657.0], [1035.6498, 1423.0], [853.4827, 117.0], [768.4299, 10000.0], [750.4194, 50.0], [708.4088, 2838.0], [666.3982, 92.0], [648.3877, 163.0], [630.3771, 27.0], [568.2523, 940.0], [508.2312, 641.0], [466.2206, 46.0], [448.21, 139.0], [430.1995, 37.0], [368.2437, 18.0], [350.2331, 27.0], [96.9691, 1385.0], [78.9585, 5380.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-di-phosphoryl C1-mono-phosphoryl di-glucosamine [PP-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000179)", "MOLECULEMASS": "1904.2092", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "110", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1905.2165", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1904.209200", "SPLASH": "splash10-0zfr-1510110139-8dd52b041207b4ad6bc3"}, "peaks": [[1904.2092, 10000.0], [1886.1986, 742.0], [1824.2429, 590.0], [1806.2323, 2865.0], [1788.2217, 303.0], [1726.266, 505.0], [1708.2554, 505.0], [1578.0234, 775.0], [1562.0285, 1305.0], [1544.0179, 200.0], [1498.057, 505.0], [1482.0621, 303.0], [1480.0465, 505.0], [1464.0516, 303.0], [1333.8195, 572.0], [1253.8532, 757.0], [1252.7981, 505.0], [1235.8426, 303.0], [1192.7769, 405.0], [1027.6599, 505.0], [964.568, 405.0], [926.6122, 303.0], [448.21, 303.0], [430.1995, 303.0], [176.9354, 3134.0], [158.9248, 3421.0], [96.9691, 303.0], [78.9585, 505.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-di-phosphoryl C1-mono-phosphoryl di-glucosamine [PP-NIL/NIL-C12:0_(OH)/C12:0-C12:0_(OH)-C12:0_(OH)/C10:0_(OH)-P]|L2D (LMPTD00000202)", "MOLECULEMASS": "1525.823", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "111", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1526.8303", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1525.823000", "SPLASH": "splash10-056r-1900100000-d26181de591bcb4ce6f2"}, "peaks": [[1525.823, 100.0], [1445.8567, 314.0], [1427.8461, 2025.0], [1409.8356, 562.0], [1347.8798, 740.0], [1329.8692, 931.0], [1211.6736, 770.0], [1193.663, 340.0], [1131.7073, 454.0], [1113.6967, 1064.0], [925.5554, 306.0], [725.3778, 153.0], [680.3775, 122.0], [662.3669, 297.0], [572.2988, 128.0], [420.1787, 299.0], [402.1682, 271.0], [176.9354, 9943.0], [158.9248, 10000.0], [96.9691, 621.0], [78.9585, 3117.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/C16:0-NIL]|L2D (LMPTD00000217)", "MOLECULEMASS": "1728.2816", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "112", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1729.2889", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1728.281600", "SPLASH": "splash10-0udi-1010032902-83d9fcd404aebf9b47b5"}, "peaks": [[1728.2816, 1065.0], [1710.2711, 120.0], [1500.0727, 5417.0], [1291.89, 1105.0], [1273.8794, 2098.0], [1204.8216, 155.0], [1017.6392, 399.0], [976.6126, 5089.0], [916.5915, 501.0], [817.4616, 53.0], [768.4299, 5133.0], [750.4194, 10000.0], [708.4088, 1019.0], [690.3982, 3793.0], [666.3982, 71.0], [648.3877, 71.0], [630.3771, 225.0], [550.2417, 1140.0], [490.2206, 1260.0], [430.1995, 200.0], [96.9691, 967.0], [78.9585, 1513.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-di-phosphoryl  di-glucosamine [PP-NIL/NIL-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000056)", "MOLECULEMASS": "1133.6266", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "113", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1134.6339", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1133.626600", "SPLASH": "splash10-056r-9800000110-46d0ef6472229c8d8373"}, "peaks": [[1133.6266, 2052.0], [1115.6161, 1032.0], [1053.6603, 168.0], [1035.6498, 2099.0], [848.3962, 505.0], [835.4721, 922.0], [830.3857, 544.0], [788.3751, 134.0], [770.3646, 269.0], [768.4299, 482.0], [750.4194, 890.0], [728.354, 168.0], [708.4088, 734.0], [690.3982, 1039.0], [550.2417, 316.0], [528.1764, 102.0], [490.2206, 704.0], [466.2206, 294.0], [448.21, 361.0], [430.1995, 168.0], [176.9354, 1926.0], [158.9248, 9509.0], [96.9691, 3740.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-NIL/NIL-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000099)", "MOLECULEMASS": "1387.8512", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "114", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1388.8585", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1387.851200", "SPLASH": "splash10-056r-9811100200-d233291dfe46a7abcc9a"}, "peaks": [[1387.8512, 2715.0], [1369.8407, 958.0], [1289.8743, 2447.0], [1143.6474, 2819.0], [1125.6368, 1916.0], [1063.681, 1805.0], [1045.6705, 4045.0], [1004.6439, 640.0], [817.4616, 1275.0], [736.4401, 1598.0], [718.4295, 3087.0], [710.4244, 640.0], [694.4295, 640.0], [676.419, 958.0], [508.2312, 958.0], [466.2206, 1275.0], [448.21, 640.0], [430.1995, 1598.0], [176.9354, 4467.0], [158.9248, 8566.0], [96.9691, 3136.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000074)", "MOLECULEMASS": "1740.149", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "115", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1741.1563", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1740.149000", "SPLASH": "splash10-054p-4821513901-84bbc7d00949cb35cc0b"}, "peaks": [[1740.149, 10000.0], [1722.1384, 1693.0], [1642.1721, 2120.0], [1539.9713, 2120.0], [1495.9451, 3993.0], [1441.9944, 2367.0], [1415.9788, 847.0], [1397.9682, 2120.0], [1295.7675, 1693.0], [1215.8012, 2120.0], [1197.7906, 2614.0], [1017.6392, 2188.0], [999.6286, 1693.0], [828.5391, 847.0], [799.451, 847.0], [708.4088, 1273.0], [690.3982, 1693.0], [648.3877, 847.0], [630.3771, 847.0], [490.2206, 847.0], [448.21, 847.0], [368.2437, 847.0], [176.9354, 3146.0], [158.9248, 7423.0], [96.9691, 1693.0], [78.9585, 3319.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C12:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000061)", "MOLECULEMASS": "1716.2452", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "116", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1717.2525", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1716.245200", "SPLASH": "splash10-0007-9050200300-b9d7c4b9508d02183b3c"}, "peaks": [[1716.2452, 1230.0], [1488.0363, 2210.0], [1472.0414, 808.0], [1243.8325, 10000.0], [1202.8059, 1118.0], [1063.681, 4781.0], [1045.6705, 9441.0], [1022.6545, 782.0], [1004.6439, 1728.0], [916.5915, 585.0], [817.4616, 1118.0], [776.435, 292.0], [736.4401, 1419.0], [718.4295, 4678.0], [490.2206, 2201.0], [448.21, 318.0], [430.1995, 335.0], [96.9691, 1290.0], [78.9585, 1788.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/NIL-C14:0_(OH)/NIL-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000097)", "MOLECULEMASS": "1323.8798", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "117", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1324.8871", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1323.879800", "SPLASH": "splash10-056r-5000090150-f94c081df14a8216e7dd"}, "peaks": [[1323.8798, 258.0], [1305.8692, 192.0], [1079.676, 1751.0], [1038.6494, 131.0], [853.4827, 2879.0], [835.4721, 5108.0], [812.4561, 589.0], [794.4456, 1583.0], [752.435, 131.0], [734.4244, 131.0], [550.2417, 372.0], [526.2417, 4045.0], [508.2312, 10000.0], [466.2206, 830.0], [448.21, 364.0], [368.2437, 192.0], [350.2331, 192.0], [96.9691, 2818.0], [78.9585, 4810.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000153)", "MOLECULEMASS": "1796.2116", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "118", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1797.2189", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1796.211600", "SPLASH": "splash10-0f92-2521341900-876e3ca4b629c4ecfd52"}, "peaks": [[1796.2116, 10000.0], [1778.201, 448.0], [1716.2452, 74.0], [1698.2347, 852.0], [1568.0026, 892.0], [1552.0077, 3709.0], [1533.9972, 516.0], [1472.0414, 442.0], [1470.0257, 1191.0], [1454.0308, 1364.0], [1323.7988, 1086.0], [1305.7882, 212.0], [1243.8325, 1596.0], [1225.8219, 1648.0], [1144.8004, 83.0], [1017.6392, 936.0], [999.6286, 918.0], [916.5915, 289.0], [799.451, 175.0], [710.4244, 231.0], [708.4088, 160.0], [690.3982, 468.0], [648.3877, 236.0], [630.3771, 107.0], [490.2206, 115.0], [466.2206, 208.0], [448.21, 212.0], [430.1995, 186.0], [332.2226, 79.0], [176.9354, 2511.0], [158.9248, 3986.0], [96.9691, 836.0], [78.9585, 1294.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C14:0_(OH)/C10:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000225)", "MOLECULEMASS": "1025.629", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "119", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1026.6363", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1025.629000", "SPLASH": "splash10-004l-9000003500-2f743adafe84722b08db"}, "peaks": [[1025.629, 5749.0], [1007.6184, 1620.0], [740.3986, 10000.0], [680.3775, 5545.0], [638.3669, 325.0], [620.3564, 325.0], [568.2523, 973.0], [508.2312, 647.0], [466.2206, 325.0], [448.21, 325.0], [96.9691, 2593.0], [78.9585, 5829.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-NIL/NIL-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-P]|L2D (LMPTD00000147)", "MOLECULEMASS": "1133.6266", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "120", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1134.6339", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1133.626600", "SPLASH": "splash10-056r-9800000100-491064716a75b4234a96"}, "peaks": [[1133.6266, 2052.0], [1115.6161, 1032.0], [1053.6603, 168.0], [1035.6498, 2099.0], [835.4721, 922.0], [768.4299, 482.0], [750.4194, 890.0], [708.4088, 734.0], [690.3982, 1039.0], [666.3982, 168.0], [648.3877, 277.0], [630.3771, 213.0], [568.2523, 311.0], [508.2312, 356.0], [484.2312, 264.0], [466.2206, 294.0], [448.21, 361.0], [430.1995, 168.0], [176.9354, 1926.0], [158.9248, 9509.0], [96.9691, 3740.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C10:0-NIL-C14:0_(OH)/C12:0-P]|L2D (LMPTD00000210)", "MOLECULEMASS": "1668.0915", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "121", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1669.0988", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1668.091500", "SPLASH": "splash10-0a6r-4901002001-6091dc2c90103b49dcb6"}, "peaks": [[1668.0915, 1058.0], [1650.0809, 403.0], [1570.1146, 403.0], [1467.9138, 444.0], [1449.9033, 403.0], [1387.9475, 161.0], [1369.9369, 1219.0], [1189.7855, 493.0], [1171.775, 1188.0], [1169.7593, 554.0], [1102.7171, 161.0], [989.6079, 574.0], [971.5973, 2144.0], [860.5289, 323.0], [800.5078, 242.0], [799.451, 323.0], [740.3986, 242.0], [722.388, 403.0], [680.3775, 242.0], [662.3669, 836.0], [648.3877, 242.0], [630.3771, 242.0], [602.3458, 323.0], [430.1995, 323.0], [332.2226, 403.0], [176.9354, 786.0], [158.9248, 10000.0], [96.9691, 1279.0], [78.9585, 5136.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-pyrophosphoryl-ethanolamine C1-mono-pyrophosphoryl-ethanolamine di-glucosamine [PPEtN-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-PPEtN]|L2D (LMPTD00000219)", "MOLECULEMASS": "2042.2286", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "122", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2043.2359", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2042.228600", "SPLASH": "splash10-00fr-2180242391-d1fb2dfbaac3da076861"}, "peaks": [[1919.2201, 706.0], [1901.2095, 809.0], [1839.2538, 691.0], [1821.2432, 10000.0], [1796.2116, 1417.0], [1778.201, 1861.0], [1760.1904, 1347.0], [1698.2347, 350.0], [1680.2241, 1530.0], [1675.0162, 429.0], [1593.0343, 2651.0], [1577.0394, 2557.0], [1552.0077, 365.0], [1533.9972, 582.0], [1531.9815, 429.0], [1470.0257, 888.0], [1454.0308, 503.0], [1452.0152, 1041.0], [1436.0203, 488.0], [1348.8304, 459.0], [1267.809, 2177.0], [1243.8325, 2113.0], [1225.8219, 721.0], [1207.8113, 429.0], [1126.7899, 385.0], [1039.6, 982.0], [898.5809, 415.0], [833.433, 1973.0], [708.4088, 415.0], [690.3982, 888.0], [466.2206, 459.0], [219.9776, 2404.0], [201.967, 4013.0], [176.9354, 765.0], [158.9248, 1180.0], [96.9691, 365.0], [78.9585, 2192.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0_(OH)-NIL-C12:0_(OH)/C10:0_(OH)-NIL]|L2D (LMPTD00000145)", "MOLECULEMASS": "1353.854", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "123", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1354.8613", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1353.854000", "SPLASH": "splash10-0udr-0209011602-ff1c4b379d4fe16b77d4"}, "peaks": [[1353.854, 10000.0], [1335.8434, 1286.0], [1183.7233, 1185.0], [1165.7127, 2437.0], [977.5715, 211.0], [926.5242, 2358.0], [908.5136, 143.0], [761.399, 71.0], [756.3935, 2666.0], [738.383, 4878.0], [696.3724, 327.0], [678.3618, 1042.0], [522.2104, 1373.0], [462.1893, 902.0], [402.1682, 139.0], [96.9691, 405.0], [78.9585, 534.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl-aminoarabinose  di-glucosamine [PAra4N-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/C16:0-NIL]|L2D (LMPTD00000216)", "MOLECULEMASS": "2085.5331", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "124", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2086.5404", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2085.533100", "SPLASH": "splash10-03di-2090003020-ee1d4db15b866ce440ff"}, "peaks": [[2085.5331, 2062.0], [2067.5226, 97.0], [1857.3242, 1580.0], [1841.3293, 1345.0], [1613.1204, 2390.0], [1482.0621, 137.0], [1333.8642, 156.0], [1273.8794, 202.0], [1255.8688, 1127.0], [1047.6498, 120.0], [999.6286, 500.0], [994.6232, 92.0], [976.6126, 605.0], [708.4088, 176.0], [690.3982, 2659.0], [490.2206, 668.0], [430.1995, 118.0], [228.0273, 708.0], [210.0167, 10000.0], [96.9691, 179.0], [78.9585, 731.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-di-phosphoryl di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-PP]|L2D (LMPTD00000167)", "MOLECULEMASS": "1525.823", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "125", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1526.8303", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1525.823000", "SPLASH": "splash10-056r-1900100000-4ac8c868994bbe59257f"}, "peaks": [[1525.823, 100.0], [1445.8567, 314.0], [1427.8461, 2025.0], [1347.8798, 740.0], [1177.7491, 766.0], [1159.7386, 1636.0], [1131.7073, 454.0], [961.5766, 334.0], [943.566, 1190.0], [850.5082, 102.0], [832.4976, 145.0], [772.4765, 94.0], [743.3884, 462.0], [734.3282, 173.0], [680.3775, 122.0], [662.3669, 297.0], [636.3513, 202.0], [620.3564, 141.0], [602.3458, 181.0], [420.1787, 299.0], [402.1682, 271.0], [384.1576, 112.0], [176.9354, 9943.0], [158.9248, 10000.0], [96.9691, 621.0], [78.9585, 3117.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C13:0-C14:0_(OH)/C12:0-C12:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000192)", "MOLECULEMASS": "1726.1333", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "126", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1727.1406", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1726.133300", "SPLASH": "splash10-056r-3920221500-2a9c75df5758c20c6e12"}, "peaks": [[1726.1333, 7734.0], [1708.1228, 1160.0], [1628.1564, 1160.0], [1511.94, 462.0], [1509.9608, 3883.0], [1491.9502, 617.0], [1429.9944, 656.0], [1413.9631, 695.0], [1411.9839, 1855.0], [1295.7675, 1506.0], [1277.7569, 380.0], [1215.8012, 1855.0], [1197.7906, 2239.0], [1017.6392, 1544.0], [999.6286, 1428.0], [888.5602, 462.0], [799.451, 487.0], [708.4088, 311.0], [690.3982, 733.0], [682.3931, 375.0], [648.3877, 444.0], [466.2206, 440.0], [448.21, 457.0], [430.1995, 354.0], [176.9354, 3972.0], [158.9248, 10000.0], [96.9691, 1739.0], [78.9585, 2472.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C10:1/NIL-C12:0_(OH)/C12:0_(OH)-NIL-C12:0_(OH)/C12:0_(OH)-P]|L2D (LMPTD00000129)", "MOLECULEMASS": "1443.8411", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "127", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1444.8484", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1443.841100", "SPLASH": "splash10-0a6r-3900101101-8ccb1d35f15ae25ed050"}, "peaks": [[1443.8411, 523.0], [1425.8305, 662.0], [1345.8642, 919.0], [1193.744, 428.0], [1175.7335, 1694.0], [1129.6916, 1161.0], [977.5715, 580.0], [959.5609, 2111.0], [908.5136, 363.0], [890.5031, 574.0], [848.4925, 316.0], [830.482, 275.0], [743.3884, 1500.0], [738.383, 844.0], [696.3724, 289.0], [678.3618, 767.0], [654.3618, 322.0], [636.3513, 316.0], [618.3407, 363.0], [522.2104, 628.0], [462.1893, 757.0], [420.1787, 516.0], [402.1682, 574.0], [384.1576, 316.0], [176.9354, 2030.0], [158.9248, 10000.0], [96.9691, 2077.0], [78.9585, 4206.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/C16:0-NIL]|L2D (LMPTD00000025)", "MOLECULEMASS": "1982.5062", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "128", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1983.5135", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1982.506200", "SPLASH": "splash10-0i30-6032130900-6d85aeed37b8f1064cda"}, "peaks": [[1982.5062, 246.0], [1754.2973, 1914.0], [1738.3024, 246.0], [1510.0934, 6299.0], [1301.9107, 3331.0], [1283.9002, 5370.0], [1230.8372, 616.0], [1027.6599, 2592.0], [1022.6545, 616.0], [1004.6439, 3578.0], [944.6228, 985.0], [799.451, 493.0], [736.4401, 3085.0], [718.4295, 10000.0], [694.4295, 370.0], [676.419, 246.0], [658.4084, 370.0], [490.2206, 2038.0], [430.1995, 493.0], [332.2226, 246.0], [96.9691, 924.0], [78.9585, 3707.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000173)", "MOLECULEMASS": "1518.0833", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "129", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1519.0906", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1518.083300", "SPLASH": "splash10-004l-9000510800-a46e94f853bfbb4acb22"}, "peaks": [[1289.8743, 527.0], [1081.6916, 1054.0], [1063.681, 1054.0], [1004.6439, 1581.0], [944.6228, 1054.0], [796.4612, 2982.0], [778.4506, 6144.0], [736.4401, 1581.0], [718.4295, 5790.0], [550.2417, 2635.0], [490.2206, 9299.0], [430.1995, 1581.0], [96.9691, 3422.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C13:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000030)", "MOLECULEMASS": "1730.2609", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "130", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1731.2682", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1730.260900", "SPLASH": "splash10-016v-9020300600-25b30d2ae06de86fb6b2"}, "peaks": [[1730.2609, 140.0], [1502.052, 569.0], [1271.8638, 3146.0], [1216.8216, 1410.0], [1063.681, 2788.0], [1045.6705, 4097.0], [1008.6388, 569.0], [990.6283, 1589.0], [944.6228, 421.0], [817.4616, 880.0], [736.4401, 3217.0], [718.4295, 10000.0], [676.419, 569.0], [490.2206, 7773.0], [430.1995, 709.0], [96.9691, 3427.0], [78.9585, 8941.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0-C12:0_(OH)-C14:0_(OH)/C12:0-NIL]|L2D (LMPTD00000028)", "MOLECULEMASS": "1814.3184", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "131", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1815.3257", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1814.318400", "SPLASH": "splash10-0002-1947017314-c4ece1d4fc8af9a95844"}, "peaks": [[1814.3184, 1283.0], [1614.1408, 3717.0], [1598.1459, 1445.0], [1397.9682, 10000.0], [1217.8168, 5542.0], [1199.8062, 8618.0], [1146.7433, 2852.0], [999.6286, 3493.0], [966.5919, 772.0], [948.5813, 1700.0], [888.5602, 772.0], [799.451, 511.0], [708.4088, 4228.0], [690.3982, 5318.0], [648.3877, 254.0], [490.2206, 772.0], [448.21, 254.0], [96.9691, 772.0], [78.9585, 772.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-P]|L2D (LMPTD00000228)", "MOLECULEMASS": "1570.0183", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "132", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1571.0256", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1570.018300", "SPLASH": "splash10-056r-9700100000-dad61ed9ec13c63367c0"}, "peaks": [[1570.0183, 424.0], [1552.0077, 400.0], [1472.0414, 412.0], [1341.8094, 424.0], [1323.7988, 250.0], [1243.8325, 726.0], [1186.811, 150.0], [1035.6498, 964.0], [1017.6392, 2163.0], [976.6126, 250.0], [916.5915, 150.0], [817.4616, 838.0], [768.4299, 150.0], [750.4194, 1000.0], [708.4088, 200.0], [690.3982, 1300.0], [630.3771, 375.0], [550.2417, 250.0], [490.2206, 863.0], [484.2312, 400.0], [448.21, 451.0], [430.1995, 750.0], [412.1889, 250.0], [176.9354, 2200.0], [158.9248, 10000.0], [96.9691, 3774.0], [78.9585, 8788.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0-NIL]|L2D (LMPTD00000188)", "MOLECULEMASS": "1179.7648", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "133", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1180.7721", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1179.764800", "SPLASH": "splash10-004i-3900001403-0dd0d032eb47901b0782"}, "peaks": [[1179.7648, 10000.0], [1161.7542, 915.0], [979.5872, 4345.0], [779.4095, 1221.0], [740.3986, 3896.0], [680.3775, 1850.0], [638.3669, 215.0], [620.3564, 108.0], [602.3458, 215.0], [540.221, 539.0], [438.1893, 108.0], [420.1787, 215.0], [96.9691, 1293.0], [78.9585, 2478.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/C16:0-P]|L2D (LMPTD00000195)", "MOLECULEMASS": "2062.4725", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "134", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2063.4798", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2062.472500", "SPLASH": "splash10-0bt9-5920121320-3cacdb28f58c097b59fc"}, "peaks": [[2062.4725, 3765.0], [2044.462, 549.0], [1982.5062, 273.0], [1964.4956, 549.0], [1834.2636, 1097.0], [1818.2687, 1541.0], [1816.253, 549.0], [1800.2581, 273.0], [1754.2973, 273.0], [1738.3024, 549.0], [1736.2867, 1097.0], [1720.2918, 549.0], [1590.0598, 1097.0], [1572.0492, 549.0], [1510.0934, 1370.0], [1492.0829, 549.0], [1283.9002, 1097.0], [1265.8896, 549.0], [1235.8426, 1097.0], [1027.6599, 549.0], [781.4404, 549.0], [736.4401, 549.0], [718.4295, 549.0], [676.419, 822.0], [658.4084, 549.0], [490.2206, 549.0], [430.1995, 549.0], [176.9354, 1097.0], [158.9248, 10000.0], [96.9691, 549.0], [78.9585, 1472.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0_(OH)-C14:0_(OH)/C12:0-NIL-C14:1/NIL-NIL]|L2D (LMPTD00000151)", "MOLECULEMASS": "1488.0363", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "135", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1489.0436", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1488.036300", "SPLASH": "splash10-0006-9040405301-9e38139243e06ac5c31c"}, "peaks": [[1488.0363, 2045.0], [1243.8325, 6818.0], [1202.8059, 1109.0], [1035.6498, 2287.0], [1017.6392, 8120.0], [976.6126, 2142.0], [916.5915, 579.0], [817.4616, 964.0], [768.4299, 1253.0], [750.4194, 4649.0], [708.4088, 1928.0], [690.3982, 10000.0], [648.3877, 579.0], [630.3771, 386.0], [550.2417, 579.0], [490.2206, 4552.0], [448.21, 579.0], [430.1995, 964.0], [96.9691, 3953.0], [78.9585, 3444.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C10:0_(OH)-C12:0_(OH)-C14:0_(OH)/C10:0-P]|L2D (LMPTD00000161)", "MOLECULEMASS": "1854.217", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "136", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1855.2243", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1854.217000", "SPLASH": "splash10-0udi-0301013090-5b3d052f5e193f19d0aa"}, "peaks": [[1854.217, 10000.0], [1836.2065, 405.0], [1774.2507, 119.0], [1756.2402, 724.0], [1654.0394, 690.0], [1638.0445, 2613.0], [1620.0339, 352.0], [1558.0782, 284.0], [1556.0625, 596.0], [1540.0676, 596.0], [1437.8669, 486.0], [1419.8563, 244.0], [1357.9005, 582.0], [1339.89, 663.0], [1167.7436, 432.0], [1159.7386, 284.0], [1141.728, 146.0], [987.5922, 173.0], [969.5817, 197.0], [876.5238, 148.0], [836.5289, 118.0], [678.3618, 200.0], [636.3513, 106.0], [176.9354, 695.0], [158.9248, 2823.0], [96.9691, 252.0], [78.9585, 629.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0-C12:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000232)", "MOLECULEMASS": "1632.1513", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "137", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1633.1586", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1632.151300", "SPLASH": "splash10-002f-9010704100-bc9d4d9cdf0669923eef"}, "peaks": [[1632.1513, 341.0], [1431.9737, 571.0], [1415.9788, 944.0], [1215.8012, 2396.0], [1035.6498, 1577.0], [1017.6392, 3711.0], [966.5919, 341.0], [948.5813, 1248.0], [888.5602, 341.0], [817.4616, 1403.0], [748.4037, 341.0], [708.4088, 1905.0], [690.3982, 7592.0], [648.3877, 341.0], [630.3771, 341.0], [532.2312, 341.0], [490.2206, 9683.0], [448.21, 341.0], [430.1995, 3364.0], [96.9691, 3296.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-pyrophosphoryl-ethanolamine C1-mono-phosphoryl di-glucosamine [PPEtN-C12:0_(OH)/C12:0-C14:0_(OH)/C10:0_(OH)-C12:0_(OH)-C14:0_(OH)/C12:0-P]|L2D (LMPTD00000162)", "MOLECULEMASS": "2005.2569", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "138", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2006.2642", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2005.256900", "SPLASH": "splash10-0a4i-7954336344-42b6e23afce79121613b"}, "peaks": [[2005.2569, 1939.0], [1925.2906, 1381.0], [1907.28, 7442.0], [1882.2484, 4223.0], [1864.2378, 4223.0], [1846.2272, 1198.0], [1789.0843, 832.0], [1784.2714, 1137.0], [1766.2609, 924.0], [1709.118, 1360.0], [1707.1024, 3563.0], [1691.1074, 3492.0], [1666.0758, 2386.0], [1664.0602, 924.0], [1648.0652, 3188.0], [1646.0496, 1056.0], [1586.1095, 1036.0], [1584.0938, 2234.0], [1568.0989, 1492.0], [1566.0833, 1208.0], [1508.9404, 1066.0], [1490.9298, 1036.0], [1465.8982, 1178.0], [1447.8876, 1948.0], [1385.9318, 4782.0], [1367.9213, 2680.0], [1349.9107, 1168.0], [1199.71, 2518.0], [1187.7699, 1817.0], [1169.7593, 2619.0], [969.5817, 1299.0], [678.3618, 1482.0], [490.2206, 1320.0], [430.1995, 1056.0], [219.9776, 4497.0], [201.967, 7178.0], [176.9354, 2497.0], [158.9248, 9005.0], [96.9691, 2731.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl-aminoarabinose  di-glucosamine [PAra4N-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000170)", "MOLECULEMASS": "1875.3348", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "139", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1876.3421", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1875.334800", "SPLASH": "splash10-03di-2090201200-1cab7310fb9f8c090ad1"}, "peaks": [[1875.3348, 652.0], [1647.1258, 723.0], [1631.1309, 1095.0], [1402.922, 1748.0], [1361.8955, 93.0], [1271.8638, 93.0], [1075.681, 93.0], [1063.681, 280.0], [1045.6705, 1188.0], [1004.6439, 467.0], [944.6228, 93.0], [926.6122, 93.0], [825.4878, 93.0], [817.4616, 93.0], [736.4401, 187.0], [718.4295, 3170.0], [490.2206, 793.0], [228.0273, 816.0], [210.0167, 10000.0], [96.9691, 373.0], [78.9585, 1119.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-NIL/NIL-C14:0_(OH)/C12:0-C12:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000127)", "MOLECULEMASS": "1331.7886", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "140", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1332.7959", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1331.788600", "SPLASH": "splash10-001i-7619001100-dd1f2d7990b83616f622"}, "peaks": [[1331.7886, 10000.0], [1313.7781, 555.0], [1251.8223, 111.0], [1233.8117, 1807.0], [1115.6161, 2445.0], [1097.6055, 1084.0], [1035.6498, 1139.0], [1017.6392, 2445.0], [966.5919, 111.0], [948.5813, 555.0], [817.4616, 917.0], [708.4088, 1612.0], [690.3982, 749.0], [682.3931, 222.0], [666.3982, 222.0], [648.3877, 222.0], [630.3771, 222.0], [508.2312, 222.0], [466.2206, 333.0], [448.21, 333.0], [430.1995, 222.0], [176.9354, 1444.0], [158.9248, 3779.0], [96.9691, 1388.0], [78.9585, 2278.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-NIL]|L2D (LMPTD00000003)", "MOLECULEMASS": "1195.7597", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "141", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1196.767", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1195.759700", "SPLASH": "splash10-004i-9000000100-2302a77dc392f0a0c5e2"}, "peaks": [[1195.7597, 678.0], [979.5872, 535.0], [779.4095, 1900.0], [740.3986, 321.0], [680.3775, 214.0], [540.221, 321.0], [480.1999, 214.0], [438.1893, 107.0], [420.1787, 107.0], [402.1682, 214.0], [96.9691, 2542.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-NIL/NIL-C14:0_(OH)/C12:0_(OH)-C12:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000178)", "MOLECULEMASS": "1347.7835", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "142", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1348.7908", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1347.783500", "SPLASH": "splash10-0561-6913101100-2dcab36fbf1298f3a7ed"}, "peaks": [[1347.7835, 8000.0], [1267.8172, 1602.0], [1249.8066, 4797.0], [1131.611, 6398.0], [1113.6004, 4797.0], [1051.6447, 4797.0], [1033.6341, 6398.0], [982.5868, 1602.0], [817.4616, 1602.0], [766.4143, 1602.0], [706.3931, 3203.0], [682.3931, 4797.0], [664.3826, 1602.0], [508.2312, 1602.0], [448.21, 3203.0], [430.1995, 1602.0], [368.2437, 1602.0], [350.2331, 1602.0], [176.9354, 8000.0], [158.9248, 10000.0], [96.9691, 3203.0], [78.9585, 6398.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C10:0-C12:0_(OH)-C14:0_(OH)/C10:0-P]|L2D (LMPTD00000184)", "MOLECULEMASS": "1838.2221", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "143", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1839.2294", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1838.222100", "SPLASH": "splash10-0079-0401125190-faa204061097bbf99ffb"}, "peaks": [[1838.2221, 10000.0], [1820.2116, 723.0], [1758.2558, 221.0], [1740.2452, 1379.0], [1638.0445, 1559.0], [1622.0496, 3682.0], [1620.0339, 221.0], [1604.039, 604.0], [1542.0833, 404.0], [1540.0676, 1702.0], [1524.0727, 1208.0], [1421.872, 1086.0], [1403.8614, 453.0], [1341.9056, 1147.0], [1323.8951, 906.0], [1151.7487, 836.0], [1143.7436, 575.0], [1125.7331, 282.0], [971.5973, 412.0], [953.5868, 462.0], [860.5289, 221.0], [836.5289, 212.0], [662.3669, 351.0], [620.3564, 462.0], [602.3458, 311.0], [176.9354, 1025.0], [158.9248, 3319.0], [96.9691, 343.0], [78.9585, 755.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-di-phosphoryl di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0-PP]|L2D (LMPTD00000033)", "MOLECULEMASS": "1509.8281", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "144", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1510.8354", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1509.828100", "SPLASH": "splash10-056r-2900000000-9075d501e4be1cbb439d"}, "peaks": [[1411.8512, 161.0], [1331.8849, 84.0], [1161.7542, 285.0], [1143.7436, 888.0], [1131.7073, 169.0], [961.5766, 282.0], [943.566, 935.0], [832.4976, 102.0], [743.3884, 455.0], [718.3332, 67.0], [680.3775, 129.0], [662.3669, 332.0], [620.3564, 223.0], [602.3458, 161.0], [462.1893, 225.0], [420.1787, 254.0], [402.1682, 373.0], [384.1576, 148.0], [304.1913, 56.0], [176.9354, 6566.0], [158.9248, 10000.0], [96.9691, 861.0], [78.9585, 3809.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0_(OH)-C14:0_(OH)-C14:0_(OH)/C16:0-NIL]|L2D (LMPTD00000105)", "MOLECULEMASS": "1998.5011", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "145", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1999.5084", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1998.501100", "SPLASH": "splash10-00c4-5062240900-c46a78a1d1cf27c02416"}, "peaks": [[1998.5011, 1002.0], [1770.2922, 3940.0], [1754.2973, 750.0], [1526.0883, 7873.0], [1317.9056, 3688.0], [1299.8951, 10000.0], [1246.8321, 1316.0], [1043.6548, 4124.0], [1038.6494, 750.0], [1020.6388, 1997.0], [960.6177, 750.0], [799.451, 1316.0], [776.435, 1002.0], [752.435, 1936.0], [734.4244, 7437.0], [692.4139, 497.0], [674.4033, 497.0], [490.2206, 3940.0], [448.21, 497.0], [430.1995, 1002.0], [332.2226, 497.0], [96.9691, 750.0], [78.9585, 2441.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/NIL-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000186)", "MOLECULEMASS": "1534.0782", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "146", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1535.0855", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1534.078200", "SPLASH": "splash10-0bvr-9001070170-f3c8438a2a76daa97118"}, "peaks": [[1534.0782, 432.0], [1305.8692, 2705.0], [1289.8743, 508.0], [1061.6654, 8825.0], [1020.6388, 1530.0], [853.4827, 4629.0], [835.4721, 8743.0], [812.4561, 1727.0], [794.4456, 3022.0], [734.4244, 508.0], [692.4139, 311.0], [550.2417, 197.0], [526.2417, 5060.0], [508.2312, 10000.0], [466.2206, 432.0], [448.21, 311.0], [368.2437, 197.0], [350.2331, 197.0], [96.9691, 2470.0], [78.9585, 5333.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A di-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C14:0_(OH)/NIL-NIL-C14:1/NIL-NIL]|L2D (LMPTD00000041)", "MOLECULEMASS": "853.4827", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "147", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "854.49", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "853.482700", "SPLASH": "splash10-004i-9000020010-f3f50dbc177c53f1ae7e"}, "peaks": [[853.4827, 1016.0], [835.4721, 357.0], [526.2417, 2924.0], [508.2312, 178.0], [466.2206, 268.0], [448.21, 268.0], [96.9691, 1953.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C11:0-NIL]|L2D (LMPTD00000018)", "MOLECULEMASS": "1335.8798", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "148", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1336.8871", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1335.879800", "SPLASH": "splash10-02mv-1505103901-c9d801fdb80b73c8ef8f"}, "peaks": [[1335.8798, 6809.0], [1317.8692, 1848.0], [1165.7491, 3663.0], [1147.7386, 5060.0], [961.5766, 550.0], [910.5293, 2350.0], [740.3986, 5462.0], [722.388, 10000.0], [680.3775, 1094.0], [662.3669, 4305.0], [522.2104, 1221.0], [462.1893, 1334.0], [402.1682, 473.0], [96.9691, 974.0], [78.9585, 1673.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C11:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-P]|L2D (LMPTD00000130)", "MOLECULEMASS": "1459.8724", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "149", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1460.8797", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1459.872400", "SPLASH": "splash10-0a6r-4901302202-e01a328b7573b57a819d"}, "peaks": [[1459.8724, 2102.0], [1441.8618, 751.0], [1361.8955, 1616.0], [1177.7491, 744.0], [1159.7386, 1043.0], [1145.7229, 675.0], [961.5766, 751.0], [943.566, 1946.0], [906.5344, 789.0], [846.5132, 326.0], [743.3884, 1089.0], [740.3986, 1195.0], [722.388, 2253.0], [680.3775, 789.0], [662.3669, 2064.0], [620.3564, 413.0], [602.3458, 376.0], [522.2104, 520.0], [462.1893, 1051.0], [420.1787, 401.0], [402.1682, 971.0], [384.1576, 413.0], [176.9354, 3118.0], [158.9248, 10000.0], [96.9691, 2367.0], [78.9585, 4757.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C10:0_(OH)/C12:0-NIL-C10:0_(OH)/C14:0_(OH)-NIL]|L2D (LMPTD00000148)", "MOLECULEMASS": "1337.8591", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "150", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1338.8664", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1337.859100", "SPLASH": "splash10-01px-1304009330-48c15c59c6ec95ba0fb3"}, "peaks": [[1337.8591, 5594.0], [1319.8485, 1407.0], [1167.7284, 1863.0], [1149.7178, 3182.0], [882.498, 5080.0], [864.4874, 367.0], [822.4769, 148.0], [712.3673, 5582.0], [694.3568, 10000.0], [652.3462, 497.0], [634.3356, 2413.0], [494.1791, 189.0], [434.158, 260.0], [96.9691, 556.0], [78.9585, 1082.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-pyrophosphoryl-ethanolamine C1-mono-phosphoryl di-glucosamine [PPEtN-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0-C12:0_(OH)-C14:0_(OH)/C12:0-P]|L2D (LMPTD00000024)", "MOLECULEMASS": "2017.2933", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "151", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2018.3006", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2017.293300", "SPLASH": "splash10-00ou-6953356668-970581f27db7386f07cf"}, "peaks": [[2017.2933, 2582.0], [1999.2827, 1721.0], [1919.3164, 10000.0], [1894.2847, 4619.0], [1876.2742, 3442.0], [1801.1207, 861.0], [1783.1102, 1721.0], [1721.1544, 1721.0], [1719.1387, 2582.0], [1703.1438, 2582.0], [1694.1071, 861.0], [1676.0965, 1721.0], [1660.1016, 2582.0], [1658.086, 861.0], [1598.1459, 1721.0], [1596.1302, 1721.0], [1580.1353, 861.0], [1578.1196, 1721.0], [1562.1247, 1721.0], [1520.9768, 861.0], [1477.9346, 1721.0], [1459.924, 2582.0], [1397.9682, 3442.0], [1379.9577, 1721.0], [1211.7464, 2582.0], [1199.8062, 2582.0], [1181.7957, 2582.0], [1151.7252, 1721.0], [1070.7273, 1721.0], [1011.5687, 1721.0], [981.618, 1721.0], [870.5496, 1721.0], [781.4404, 2582.0], [690.3982, 2582.0], [630.3771, 1721.0], [412.1889, 1721.0], [219.9776, 1721.0], [201.967, 4303.0], [176.9354, 2582.0], [158.9248, 5054.0], [78.9585, 4303.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-P]|L2D (LMPTD00000100)", "MOLECULEMASS": "1445.8567", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "152", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1446.864", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1445.856700", "SPLASH": "splash10-0a6s-5901402201-328badf6c4e917c1958d"}, "peaks": [[1445.8567, 5102.0], [1427.8461, 800.0], [1365.8904, 150.0], [1347.8798, 2720.0], [1177.7491, 1147.0], [1159.7386, 1838.0], [1131.7073, 834.0], [961.5766, 1089.0], [943.566, 2226.0], [910.5293, 150.0], [892.5187, 1181.0], [850.5082, 262.0], [832.4976, 320.0], [743.3884, 1283.0], [740.3986, 861.0], [722.388, 2158.0], [680.3775, 551.0], [662.3669, 2369.0], [654.3618, 347.0], [620.3564, 306.0], [602.3458, 395.0], [522.2104, 504.0], [462.1893, 1031.0], [420.1787, 279.0], [402.1682, 905.0], [384.1576, 334.0], [176.9354, 2927.0], [158.9248, 10000.0], [96.9691, 2587.0], [78.9585, 7747.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000103)", "MOLECULEMASS": "1053.6603", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "153", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1054.6676", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1053.660300", "SPLASH": "splash10-014i-6000010900-bc13e38311dcd2c08b09"}, "peaks": [[1053.6603, 3836.0], [1035.6498, 1897.0], [853.4827, 473.0], [768.4299, 10000.0], [708.4088, 2370.0], [648.3877, 396.0], [568.2523, 950.0], [508.2312, 1424.0], [96.9691, 1424.0], [78.9585, 1897.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000173)", "MOLECULEMASS": "1518.0833", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "154", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1519.0906", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1518.083300", "SPLASH": "splash10-004i-4010100900-a73c9c94bfdc722fb57d"}, "peaks": [[1518.0833, 474.0], [1500.0727, 70.0], [1289.8743, 3897.0], [1232.8529, 135.0], [1081.6916, 696.0], [1063.681, 1792.0], [1004.6439, 3922.0], [944.6228, 283.0], [835.4721, 213.0], [796.4612, 4663.0], [778.4506, 10000.0], [736.4401, 1174.0], [718.4295, 4311.0], [676.419, 117.0], [658.4084, 265.0], [550.2417, 1627.0], [490.2206, 2392.0], [448.21, 196.0], [430.1995, 487.0], [350.2331, 117.0], [96.9691, 1174.0], [78.9585, 2288.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-pyrophosphoryl-ethanolamine C1-mono-phosphoryl di-glucosamine [PPEtN-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0_(OH)-C12:0_(OH)-C14:0_(OH)/C12:0-P]|L2D (LMPTD00000022)", "MOLECULEMASS": "2033.2882", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "155", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2034.2955", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2033.288200", "SPLASH": "splash10-0mkr-8891515548-4bb7c345a7173ec3abb4"}, "peaks": [[2033.2882, 2572.0], [2015.2776, 703.0], [1953.3218, 1042.0], [1935.3113, 7643.0], [1910.2796, 4442.0], [1892.2691, 4177.0], [1874.2585, 703.0], [1817.1156, 976.0], [1812.3028, 1299.0], [1794.2922, 827.0], [1737.1493, 1141.0], [1735.1336, 3069.0], [1719.1387, 3011.0], [1710.102, 744.0], [1694.1071, 2556.0], [1692.0914, 778.0], [1676.0965, 2523.0], [1674.0809, 819.0], [1614.1408, 778.0], [1612.1251, 2415.0], [1596.1302, 1315.0], [1594.1146, 1026.0], [1518.9611, 1216.0], [1493.9295, 1199.0], [1475.9189, 1315.0], [1413.9631, 4574.0], [1395.9526, 1985.0], [1377.942, 959.0], [1227.7413, 2316.0], [1215.8012, 1803.0], [1197.7906, 2341.0], [1167.7202, 1034.0], [1027.5636, 827.0], [997.613, 1158.0], [904.5551, 687.0], [886.5446, 868.0], [706.3931, 1439.0], [490.2206, 968.0], [430.1995, 1514.0], [219.9776, 4351.0], [201.967, 7750.0], [176.9354, 1654.0], [158.9248, 10000.0], [96.9691, 1406.0], [78.9585, 8925.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C14:0-NIL]|L2D (LMPTD00000001)", "MOLECULEMASS": "1377.9268", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "156", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1378.9341", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1377.926800", "SPLASH": "splash10-0229-4000215900-e0e3556d7fb5baa32ee8"}, "peaks": [[1377.9268, 294.0], [1359.9162, 275.0], [1189.7855, 665.0], [961.5766, 535.0], [910.5293, 342.0], [892.5187, 342.0], [761.399, 275.0], [740.3986, 4395.0], [722.388, 10000.0], [680.3775, 2043.0], [662.3669, 6728.0], [620.3564, 371.0], [602.3458, 438.0], [522.2104, 2222.0], [462.1893, 3210.0], [402.1682, 940.0], [304.1913, 294.0], [96.9691, 2236.0], [78.9585, 4766.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-NIL/NIL-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000120)", "MOLECULEMASS": "1359.8199", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "157", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1360.8272", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1359.819900", "SPLASH": "splash10-0a4i-3319000000-62c69dbe61087ce6c03e"}, "peaks": [[1359.8199, 10000.0], [1341.8094, 461.0], [1261.843, 1243.0], [1115.6161, 2167.0], [1097.6055, 461.0], [1035.6498, 846.0], [1017.6392, 1334.0], [994.6232, 154.0], [817.4616, 461.0], [710.4244, 308.0], [708.4088, 308.0], [690.3982, 461.0], [666.3982, 154.0], [648.3877, 154.0], [630.3771, 154.0], [466.2206, 308.0], [448.21, 308.0], [176.9354, 615.0], [158.9248, 1192.0], [96.9691, 615.0], [78.9585, 461.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/NIL-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000158)", "MOLECULEMASS": "1279.8536", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "158", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1280.8609", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1279.853600", "SPLASH": "splash10-0f9i-9030001801-beecb9f18cbf6cb7424e"}, "peaks": [[1279.8536, 4577.0], [1261.843, 707.0], [1053.6603, 956.0], [1035.6498, 10000.0], [994.6232, 2555.0], [976.6126, 227.0], [934.6021, 53.0], [835.4721, 547.0], [768.4299, 3209.0], [750.4194, 5917.0], [708.4088, 3564.0], [690.3982, 1702.0], [666.3982, 113.0], [648.3877, 163.0], [630.3771, 100.0], [550.2417, 533.0], [490.2206, 512.0], [448.21, 156.0], [430.1995, 139.0], [350.2331, 85.0], [96.9691, 896.0], [78.9585, 1673.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl-aminoarabinose di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-PAra4N]|L2D (LMPTD00000204)", "MOLECULEMASS": "1955.3011", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "159", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1956.3084", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1955.301100", "SPLASH": "splash10-05e9-7961440230-8346c99e6c494fc10221"}, "peaks": [[1955.3011, 90.0], [1824.2429, 4352.0], [1806.2323, 930.0], [1744.2765, 333.0], [1726.266, 834.0], [1596.0339, 1144.0], [1580.039, 3557.0], [1578.0234, 287.0], [1562.0285, 1673.0], [1516.0676, 457.0], [1500.0727, 710.0], [1498.057, 1939.0], [1482.0621, 2734.0], [1351.8301, 2097.0], [1333.8195, 620.0], [1271.8638, 4651.0], [1253.8532, 4352.0], [1172.8317, 225.0], [1045.6705, 3038.0], [1027.6599, 2762.0], [1004.6439, 321.0], [944.6228, 750.0], [799.451, 722.0], [736.4401, 603.0], [718.4295, 1753.0], [710.4244, 372.0], [676.419, 598.0], [658.4084, 366.0], [490.2206, 513.0], [466.2206, 699.0], [448.21, 547.0], [430.1995, 501.0], [332.2226, 271.0], [210.0167, 891.0], [176.9354, 4014.0], [158.9248, 10000.0], [96.9691, 2035.0], [78.9585, 4436.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0-C12:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000185)", "MOLECULEMASS": "1712.1177", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "160", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1713.125", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1712.117700", "SPLASH": "splash10-08fs-3721502900-186443b4aed95395f939"}, "peaks": [[1712.1177, 10000.0], [1694.1071, 344.0], [1632.1513, 138.0], [1614.1408, 669.0], [1511.94, 982.0], [1495.9451, 3035.0], [1493.9295, 138.0], [1477.9346, 522.0], [1415.9788, 394.0], [1413.9631, 1073.0], [1397.9682, 1310.0], [1295.7675, 831.0], [1277.7569, 415.0], [1215.8012, 1526.0], [1197.7906, 1868.0], [1088.7378, 140.0], [1017.6392, 971.0], [999.6286, 1118.0], [888.5602, 273.0], [799.451, 361.0], [708.4088, 244.0], [690.3982, 681.0], [682.3931, 178.0], [648.3877, 377.0], [630.3771, 180.0], [490.2206, 299.0], [466.2206, 344.0], [448.21, 261.0], [430.1995, 244.0], [412.1889, 157.0], [332.2226, 123.0], [176.9354, 2413.0], [158.9248, 5114.0], [96.9691, 1077.0], [78.9585, 2005.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl-aminoarabinose di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-PAra4N]|L2D (LMPTD00000204)", "MOLECULEMASS": "1955.3011", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "161", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1956.3084", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1955.301100", "SPLASH": "splash10-0kmj-7573590242-08f210eabc9826f057f7"}, "peaks": [[1955.3011, 1267.0], [1937.2906, 2520.0], [1824.2429, 8937.0], [1806.2323, 1267.0], [1744.2765, 1267.0], [1726.266, 2520.0], [1596.0339, 3786.0], [1580.039, 6308.0], [1578.0234, 1267.0], [1562.0285, 2520.0], [1516.0676, 1267.0], [1500.0727, 3786.0], [1498.057, 6308.0], [1482.0621, 3786.0], [1441.0356, 1267.0], [1351.8301, 5054.0], [1333.8195, 1267.0], [1271.8638, 8624.0], [1253.8532, 5054.0], [1045.6705, 2520.0], [1027.6599, 3786.0], [1004.6439, 1267.0], [944.6228, 2520.0], [718.4295, 2520.0], [210.0167, 2520.0], [176.9354, 2520.0], [158.9248, 10000.0], [96.9691, 3786.0], [78.9585, 3786.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/NIL-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000158)", "MOLECULEMASS": "1279.8536", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "162", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1280.8609", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1279.853600", "SPLASH": "splash10-0ufu-6000213900-8d880097e2d94a0ae98e"}, "peaks": [[1279.8536, 79.0], [1261.843, 64.0], [1053.6603, 193.0], [1035.6498, 2030.0], [994.6232, 553.0], [976.6126, 138.0], [835.4721, 479.0], [768.4299, 4916.0], [750.4194, 10000.0], [708.4088, 6171.0], [690.3982, 7756.0], [666.3982, 128.0], [648.3877, 375.0], [630.3771, 366.0], [550.2417, 2386.0], [490.2206, 4629.0], [448.21, 488.0], [430.1995, 1250.0], [350.2331, 113.0], [332.2226, 54.0], [96.9691, 4051.0], [78.9585, 9684.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C10:0-NIL-C14:0_(OH)/NIL-P]|L2D (LMPTD00000048)", "MOLECULEMASS": "1485.9244", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "163", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1486.9317", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1485.924400", "SPLASH": "splash10-052r-8911601102-387391516bf0ae24f302"}, "peaks": [[1485.9244, 5115.0], [1467.9138, 1664.0], [1387.9475, 1689.0], [1285.7468, 1814.0], [1267.7362, 819.0], [1187.7699, 1611.0], [1102.7171, 819.0], [1007.6184, 1406.0], [989.6079, 3043.0], [920.55, 612.0], [800.5078, 408.0], [740.3986, 408.0], [722.388, 1025.0], [680.3775, 612.0], [662.3669, 819.0], [620.3564, 612.0], [602.3458, 408.0], [490.2206, 408.0], [484.2312, 819.0], [466.2206, 408.0], [448.21, 408.0], [430.1995, 408.0], [158.9248, 10000.0], [96.9691, 3784.0], [78.9585, 6498.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000203)", "MOLECULEMASS": "1490.052", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "164", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1491.0593", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1490.052000", "SPLASH": "splash10-0ufu-4010203902-f7bf56149f7c1c6cadc4"}, "peaks": [[1490.052, 342.0], [1472.0414, 158.0], [1261.843, 3393.0], [1204.8216, 51.0], [1053.6603, 808.0], [1035.6498, 1962.0], [976.6126, 3342.0], [916.5915, 235.0], [835.4721, 94.0], [768.4299, 4359.0], [750.4194, 10000.0], [708.4088, 1338.0], [690.3982, 5679.0], [666.3982, 38.0], [648.3877, 64.0], [630.3771, 308.0], [550.2417, 1517.0], [490.2206, 2803.0], [448.21, 114.0], [430.1995, 735.0], [350.2331, 64.0], [332.2226, 38.0], [96.9691, 1607.0], [78.9585, 3286.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl-aminoarabinose  di-glucosamine [PAra4N-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-NIL]|L2D (LMPTD00000181)", "MOLECULEMASS": "1496.9486", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "165", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1497.9559", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1496.948600", "SPLASH": "splash10-03di-4090515500-8e248253b73dca5e61e0"}, "peaks": [[1496.9486, 4475.0], [1478.938, 1001.0], [1177.7491, 345.0], [1041.5875, 2323.0], [1023.577, 174.0], [981.5664, 174.0], [963.5558, 174.0], [961.5766, 174.0], [910.5293, 174.0], [751.4146, 174.0], [740.3986, 821.0], [733.404, 174.0], [722.388, 6511.0], [680.3775, 466.0], [662.3669, 6303.0], [522.2104, 1374.0], [462.1893, 1660.0], [402.1682, 432.0], [228.0273, 1648.0], [210.0167, 10000.0], [96.9691, 1079.0], [78.9585, 2317.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl-aminoarabinose di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-PAra4N]|L2D (LMPTD00000141)", "MOLECULEMASS": "1927.2698", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "166", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1928.2771", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1927.269800", "SPLASH": "splash10-0002-0000120900-e0e235a5d512141b6597"}, "peaks": [[1927.2698, 154.0], [1909.2592, 229.0], [1796.2116, 10000.0], [1778.201, 176.0], [1716.2452, 248.0], [1698.2347, 571.0], [1568.0026, 571.0], [1552.0077, 2237.0], [1533.9972, 142.0], [1488.0363, 86.0], [1472.0414, 290.0], [1470.0257, 645.0], [1454.0308, 559.0], [1323.7988, 379.0], [1305.7882, 64.0], [1243.8325, 595.0], [1225.8219, 419.0], [1017.6392, 246.0], [999.6286, 178.0], [916.5915, 66.0], [710.4244, 132.0], [690.3982, 74.0], [648.3877, 46.0], [466.2206, 62.0], [448.21, 52.0], [430.1995, 46.0], [210.0167, 78.0], [176.9354, 272.0], [158.9248, 549.0], [96.9691, 110.0], [78.9585, 150.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/NIL-C14:0_(OH)/C16:1-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000155)", "MOLECULEMASS": "1333.9005", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "167", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1334.9078", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1333.900500", "SPLASH": "splash10-01tc-9000200540-6138d71fbefd4b570524"}, "peaks": [[1333.9005, 688.0], [1315.89, 461.0], [1107.7073, 688.0], [1089.6967, 2874.0], [1048.6702, 1580.0], [1030.6596, 461.0], [835.4721, 919.0], [822.4769, 2644.0], [804.4663, 4826.0], [762.4557, 5835.0], [744.4452, 3676.0], [720.4452, 461.0], [702.4346, 461.0], [684.424, 231.0], [550.2417, 919.0], [490.2206, 2241.0], [448.21, 919.0], [430.1995, 919.0], [332.2226, 231.0], [96.9691, 1521.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C12:0-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000131)", "MOLECULEMASS": "1462.0207", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "168", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1463.028", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1462.020700", "SPLASH": "splash10-0ufu-4010204902-22169891e3bc12ca26c0"}, "peaks": [[1462.0207, 354.0], [1261.843, 3465.0], [1053.6603, 747.0], [1035.6498, 1646.0], [976.6126, 4213.0], [916.5915, 234.0], [835.4721, 120.0], [768.4299, 4714.0], [750.4194, 10000.0], [708.4088, 1673.0], [690.3982, 7368.0], [648.3877, 354.0], [630.3771, 234.0], [550.2417, 1673.0], [490.2206, 2965.0], [430.1995, 469.0], [96.9691, 1717.0], [78.9585, 4153.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C12:0_(OH)/C12:0-C12:0_(OH)-C12:0_(OH)/C14:0-P]|L2D (LMPTD00000051)", "MOLECULEMASS": "1866.2534", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "169", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1867.2607", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1866.253400", "SPLASH": "splash10-014i-0301013090-6d5025f6740605fa0a0f"}, "peaks": [[1866.2534, 10000.0], [1848.2429, 354.0], [1786.2871, 120.0], [1768.2765, 538.0], [1666.0758, 993.0], [1650.0809, 1689.0], [1648.0652, 120.0], [1632.0703, 247.0], [1586.1095, 91.0], [1570.1146, 234.0], [1568.0989, 865.0], [1552.104, 437.0], [1449.9033, 689.0], [1431.8927, 304.0], [1369.9369, 1097.0], [1351.9264, 733.0], [1171.775, 429.0], [1153.7644, 361.0], [943.566, 120.0], [864.5602, 188.0], [860.5289, 267.0], [800.5078, 120.0], [680.3775, 151.0], [662.3669, 405.0], [648.3877, 192.0], [630.3771, 151.0], [620.3564, 151.0], [462.1893, 120.0], [176.9354, 850.0], [158.9248, 2810.0], [96.9691, 350.0], [78.9585, 842.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000221)", "MOLECULEMASS": "1279.8536", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "170", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1280.8609", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1279.853600", "SPLASH": "splash10-052o-7010000509-6b56f488fa73fa60d853"}, "peaks": [[1279.8536, 1093.0], [1261.843, 314.0], [1035.6498, 6041.0], [994.6232, 10000.0], [976.6126, 973.0], [835.4721, 537.0], [794.4456, 679.0], [708.4088, 5514.0], [690.3982, 61.0], [666.3982, 543.0], [648.3877, 450.0], [630.3771, 36.0], [550.2417, 84.0], [508.2312, 679.0], [466.2206, 84.0], [448.21, 225.0], [430.1995, 39.0], [350.2331, 61.0], [96.9691, 1206.0], [78.9585, 2274.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-NIL-C14:0_(OH)/NIL-P]|L2D (LMPTD00000200)", "MOLECULEMASS": "1598.0496", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "171", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1599.0569", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1598.049600", "SPLASH": "splash10-0002-5411190100-0a700e6f77ca77e76b3f"}, "peaks": [[1598.0496, 10000.0], [1580.039, 1021.0], [1518.0833, 171.0], [1500.0727, 1560.0], [1369.8407, 1447.0], [1351.8301, 531.0], [1289.8743, 254.0], [1271.8638, 1661.0], [1214.8423, 254.0], [1063.681, 823.0], [1045.6705, 1604.0], [1004.6439, 426.0], [817.4616, 561.0], [796.4612, 632.0], [778.4506, 688.0], [736.4401, 254.0], [718.4295, 710.0], [676.419, 340.0], [658.4084, 254.0], [550.2417, 254.0], [490.2206, 340.0], [484.2312, 254.0], [448.21, 531.0], [430.1995, 340.0], [412.1889, 254.0], [176.9354, 2285.0], [158.9248, 4938.0], [96.9691, 2596.0], [78.9585, 2682.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-di-phosphoryl  di-glucosamine [PP-NIL/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-NIL]|L2D (LMPTD00000084)", "MOLECULEMASS": "1275.726", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "172", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1276.7333", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1275.726000", "SPLASH": "splash10-056r-8920201221-de776da2a9c54f13237e"}, "peaks": [[1275.726, 3038.0], [1257.7155, 1470.0], [1195.7597, 589.0], [1177.7491, 4070.0], [961.5766, 1767.0], [820.365, 1767.0], [802.3544, 1641.0], [761.399, 1470.0], [742.3332, 1178.0], [740.3986, 589.0], [722.388, 1470.0], [680.3775, 1178.0], [662.3669, 1938.0], [522.2104, 589.0], [482.1345, 589.0], [462.1893, 1839.0], [438.1893, 881.0], [402.1682, 589.0], [176.9354, 1470.0], [158.9248, 9119.0], [96.9691, 4927.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-pyrophosphoryl-ethanolamine C1-mono-pyrophosphoryl-ethanolamine di-glucosamine [PPEtN-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0_(OH)-C12:0_(OH)-C14:0_(OH)/C12:0-PPEtN]|L2D (LMPTD00000183)", "MOLECULEMASS": "2156.2967", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "173", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2157.304", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2156.296700", "SPLASH": "splash10-002r-4240212519-c1ae0740c932e52fd935"}, "peaks": [[2156.2967, 773.0], [2033.2882, 2293.0], [2015.2776, 1476.0], [1953.3218, 773.0], [1935.3113, 10000.0], [1910.2796, 1714.0], [1892.2691, 1231.0], [1874.2585, 773.0], [1812.3028, 578.0], [1794.2922, 967.0], [1737.1493, 1162.0], [1735.1336, 3215.0], [1719.1387, 3215.0], [1710.102, 578.0], [1694.1071, 578.0], [1676.0965, 773.0], [1674.0809, 773.0], [1658.086, 773.0], [1612.1251, 1137.0], [1594.1146, 773.0], [1578.1196, 578.0], [1536.9717, 578.0], [1518.9611, 1520.0], [1475.9189, 578.0], [1413.9631, 2588.0], [1395.9526, 773.0], [1377.942, 773.0], [1227.7413, 1789.0], [1215.8012, 578.0], [1197.7906, 1451.0], [997.613, 1621.0], [987.5687, 1714.0], [904.5551, 773.0], [706.3931, 967.0], [490.2206, 773.0], [219.9776, 1789.0], [201.967, 4177.0], [176.9354, 578.0], [158.9248, 1960.0], [78.9585, 4931.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/C15:0-NIL]|L2D (LMPTD00000212)", "MOLECULEMASS": "1968.4906", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "174", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1969.4979", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1968.490600", "SPLASH": "splash10-00ke-2050900802-cd17f53d6db9e9de2b51"}, "peaks": [[1968.4906, 2632.0], [1740.2816, 6437.0], [1724.2867, 1310.0], [1496.0778, 10000.0], [1287.8951, 2592.0], [1269.8845, 3379.0], [1230.8372, 764.0], [1027.6599, 1046.0], [1022.6545, 459.0], [1004.6439, 861.0], [944.6228, 310.0], [736.4401, 902.0], [718.4295, 1259.0], [490.2206, 540.0], [332.2226, 236.0], [96.9691, 287.0], [78.9585, 649.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0_(OH)-NIL-C14:0_(OH)/NIL-P]|L2D (LMPTD00000168)", "MOLECULEMASS": "1529.9506", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "175", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1530.9579", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1529.950600", "SPLASH": "splash10-056r-8911270100-bbd031bede306a465931"}, "peaks": [[1529.9506, 8604.0], [1511.94, 1217.0], [1431.9737, 1717.0], [1329.773, 1114.0], [1311.7624, 436.0], [1231.7961, 1826.0], [1146.7433, 263.0], [1051.6447, 993.0], [1033.6341, 2283.0], [964.5762, 438.0], [904.5551, 285.0], [817.4616, 1311.0], [766.4143, 684.0], [724.4037, 276.0], [706.3931, 487.0], [664.3826, 300.0], [646.372, 276.0], [550.2417, 551.0], [490.2206, 606.0], [484.2312, 333.0], [448.21, 530.0], [430.1995, 684.0], [176.9354, 2455.0], [158.9248, 10000.0], [96.9691, 2425.0], [78.9585, 6294.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000173)", "MOLECULEMASS": "1518.0833", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "176", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1519.0906", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1518.083300", "SPLASH": "splash10-0fb9-8020320900-63395f78f4de7c0a0df5"}, "peaks": [[1518.0833, 2397.0], [1500.0727, 726.0], [1289.8743, 5521.0], [1232.8529, 363.0], [1081.6916, 1452.0], [1063.681, 3849.0], [1004.6439, 5883.0], [944.6228, 363.0], [835.4721, 363.0], [796.4612, 4069.0], [778.4506, 10000.0], [736.4401, 1452.0], [718.4295, 5425.0], [658.4084, 726.0], [550.2417, 3524.0], [490.2206, 7469.0], [430.1995, 1452.0], [332.2226, 726.0], [96.9691, 2760.0], [78.9585, 6562.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000020)", "MOLECULEMASS": "1307.8849", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "177", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1308.8922", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1307.884900", "SPLASH": "splash10-03di-9001000100-fdbc8f600a8d73bd4359"}, "peaks": [[1307.8849, 2939.0], [1289.8743, 137.0], [1063.681, 10000.0], [1022.6545, 1282.0], [1004.6439, 275.0], [835.4721, 687.0], [736.4401, 2333.0], [718.4295, 275.0], [466.2206, 137.0], [430.1995, 137.0], [96.9691, 549.0], [78.9585, 1121.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C10:0_(OH)/C16:0-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/NIL-P]|L2D (LMPTD00000190)", "MOLECULEMASS": "1485.9244", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "178", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1486.9317", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1485.924400", "SPLASH": "splash10-0a6r-3900101102-d7981b6063789f5f616a"}, "peaks": [[1485.9244, 1006.0], [1467.9138, 737.0], [1387.9475, 816.0], [1229.6842, 662.0], [1211.6736, 488.0], [1131.7073, 1569.0], [1130.7484, 351.0], [979.5872, 1401.0], [961.5766, 2936.0], [892.5187, 297.0], [832.4976, 459.0], [772.4765, 180.0], [761.399, 843.0], [740.3986, 376.0], [722.388, 905.0], [680.3775, 260.0], [662.3669, 1102.0], [620.3564, 383.0], [602.3458, 418.0], [522.2104, 282.0], [462.1893, 225.0], [456.1999, 371.0], [420.1787, 336.0], [402.1682, 346.0], [384.1576, 227.0], [176.9354, 2012.0], [158.9248, 10000.0], [96.9691, 2237.0], [78.9585, 2978.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C10:0_(OH)-C12:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000015)", "MOLECULEMASS": "1700.0813", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "179", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1701.0886", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1700.081300", "SPLASH": "splash10-0zfr-2911502601-9c34af215e2fbd6f6e5c"}, "peaks": [[1700.0813, 10000.0], [1682.0707, 751.0], [1602.1044, 1413.0], [1499.9036, 784.0], [1483.9087, 3711.0], [1465.8982, 802.0], [1403.9424, 971.0], [1401.9268, 1210.0], [1385.9318, 1957.0], [1283.7311, 1107.0], [1265.7205, 408.0], [1203.7648, 1634.0], [1185.7542, 1805.0], [1058.6909, 408.0], [1005.6028, 732.0], [987.5922, 1722.0], [799.451, 408.0], [682.3931, 545.0], [678.3618, 408.0], [664.3826, 408.0], [636.3513, 408.0], [490.2206, 408.0], [466.2206, 408.0], [176.9354, 4345.0], [158.9248, 8159.0], [96.9691, 1141.0], [78.9585, 2060.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:1/NIL-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000207)", "MOLECULEMASS": "1261.843", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "180", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1262.8503", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1261.843000", "SPLASH": "splash10-0f96-8000716901-c8367767efc5b80567a8"}, "peaks": [[1261.843, 609.0], [1243.8325, 307.0], [1053.6603, 131.0], [1035.6498, 563.0], [976.6126, 1786.0], [916.5915, 236.0], [835.4721, 96.0], [768.4299, 3295.0], [750.4194, 10000.0], [708.4088, 1167.0], [690.3982, 9120.0], [666.3982, 96.0], [648.3877, 65.0], [630.3771, 624.0], [550.2417, 2958.0], [490.2206, 9673.0], [448.21, 200.0], [430.1995, 2072.0], [350.2331, 96.0], [96.9691, 4502.0], [78.9585, 8788.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0-C12:0_(OH)-C14:0_(OH)/C12:0-P]|L2D (LMPTD00000121)", "MOLECULEMASS": "1894.2847", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "181", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1895.292", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1894.284700", "SPLASH": "splash10-056r-3902213021-9363caa98b06e29af48d"}, "peaks": [[1894.2847, 3222.0], [1876.2742, 397.0], [1796.3078, 459.0], [1694.1071, 780.0], [1678.1122, 1714.0], [1676.0965, 204.0], [1660.1016, 717.0], [1598.1459, 358.0], [1596.1302, 882.0], [1580.1353, 524.0], [1477.9346, 984.0], [1459.924, 703.0], [1397.9682, 2264.0], [1379.9577, 1254.0], [1199.8062, 1037.0], [1181.7957, 436.0], [1179.78, 1406.0], [999.6286, 1150.0], [981.618, 1254.0], [888.5602, 524.0], [864.5602, 204.0], [828.5391, 204.0], [781.4404, 256.0], [708.4088, 256.0], [690.3982, 1227.0], [648.3877, 653.0], [630.3771, 256.0], [612.3665, 358.0], [490.2206, 664.0], [448.21, 538.0], [430.1995, 1086.0], [412.1889, 256.0], [176.9354, 2277.0], [158.9248, 10000.0], [96.9691, 1216.0], [78.9585, 4489.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0_(OH)-C10:0_(OH)-C12:0_(OH)/C12:0_(OH)-P]|L2D (LMPTD00000164)", "MOLECULEMASS": "1631.9823", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "182", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1632.9896", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1631.982300", "SPLASH": "splash10-057i-3902317002-932bdea4f49806241d6a"}, "peaks": [[1631.9823, 9390.0], [1613.9717, 2179.0], [1534.0054, 4484.0], [1443.841, 4547.0], [1425.8305, 1453.0], [1363.8747, 2179.0], [1345.8642, 3632.0], [1175.7335, 2906.0], [1157.7229, 1453.0], [1129.6916, 3632.0], [1078.6443, 726.0], [959.5609, 3632.0], [941.5504, 2179.0], [725.3778, 1453.0], [696.3724, 1453.0], [678.3618, 3632.0], [600.3301, 1453.0], [462.1893, 2179.0], [420.1787, 1453.0], [176.9354, 4547.0], [158.9248, 10000.0], [96.9691, 2906.0], [78.9585, 5632.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C14:0_(OH)/C14:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000193)", "MOLECULEMASS": "1081.6916", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "183", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1082.6989", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1081.691600", "SPLASH": "splash10-001i-9000000200-8e3dde2d331b0911d117"}, "peaks": [[1081.6916, 10000.0], [1063.681, 889.0], [853.4827, 889.0], [796.4612, 2556.0], [736.4401, 889.0], [568.2523, 222.0], [508.2312, 222.0], [448.21, 444.0], [96.9691, 185.0], [78.9585, 444.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/NIL-NIL]|L2D (LMPTD00000106)", "MOLECULEMASS": "1167.7284", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "184", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1168.7357", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1167.728400", "SPLASH": "splash10-03mi-8000519700-227228db00826443cb34"}, "peaks": [[1167.7284, 17.0], [979.5872, 153.0], [779.4095, 112.0], [740.3986, 3496.0], [722.388, 7026.0], [680.3775, 2092.0], [662.3669, 10000.0], [638.3669, 95.0], [620.3564, 145.0], [602.3458, 418.0], [522.2104, 2312.0], [462.1893, 6036.0], [420.1787, 236.0], [402.1682, 1127.0], [322.2018, 62.0], [96.9691, 3586.0], [78.9585, 9002.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0_(OH)-C14:0_(OH)-C14:0_(OH)/C16:0-NIL]|L2D (LMPTD00000105)", "MOLECULEMASS": "1998.5011", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "185", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1999.5084", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1998.501100", "SPLASH": "splash10-00ba-2042090802-190de837e16e9615e802"}, "peaks": [[1998.5011, 2480.0], [1770.2922, 6440.0], [1754.2973, 1771.0], [1526.0883, 10000.0], [1317.9056, 2659.0], [1299.8951, 3338.0], [1246.8321, 1240.0], [1043.6548, 1419.0], [1038.6494, 309.0], [1020.6388, 783.0], [960.6177, 605.0], [799.451, 235.0], [752.435, 709.0], [734.4244, 531.0], [490.2206, 869.0], [96.9691, 252.0], [78.9585, 400.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/NIL-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000230)", "MOLECULEMASS": "1586.0132", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "186", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1587.0205", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1586.013200", "SPLASH": "splash10-056r-8910201000-7438eb009dfe1df2ee76"}, "peaks": [[1586.0132, 331.0], [1568.0026, 123.0], [1488.0363, 358.0], [1341.8094, 499.0], [1323.7988, 312.0], [1261.843, 566.0], [1243.8325, 1455.0], [1017.6392, 1623.0], [999.6286, 802.0], [976.6126, 235.0], [934.6021, 94.0], [916.5915, 208.0], [874.5809, 94.0], [799.451, 425.0], [708.4088, 745.0], [690.3982, 2370.0], [648.3877, 179.0], [630.3771, 256.0], [532.2312, 171.0], [490.2206, 1605.0], [466.2206, 529.0], [448.21, 604.0], [430.1995, 726.0], [412.1889, 189.0], [368.2437, 152.0], [332.2226, 160.0], [176.9354, 3304.0], [158.9248, 10000.0], [96.9691, 3126.0], [78.9585, 8254.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C10:0-C12:0_(OH)-C14:0_(OH)/C12:0-P]|L2D (LMPTD00000098)", "MOLECULEMASS": "1866.2534", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "187", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1867.2607", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1866.253400", "SPLASH": "splash10-014i-0401013090-986ddee9b6a3aa3d2d9f"}, "peaks": [[1866.2534, 10000.0], [1848.2429, 354.0], [1786.2871, 120.0], [1768.2765, 538.0], [1666.0758, 993.0], [1650.0809, 1689.0], [1648.0652, 120.0], [1632.0703, 247.0], [1586.1095, 91.0], [1570.1146, 234.0], [1568.0989, 865.0], [1552.104, 437.0], [1449.9033, 689.0], [1431.8927, 304.0], [1369.9369, 1097.0], [1351.9264, 733.0], [1171.775, 429.0], [1153.7644, 361.0], [1151.7487, 549.0], [971.5973, 244.0], [953.5868, 335.0], [864.5602, 188.0], [860.5289, 267.0], [800.5078, 120.0], [680.3775, 151.0], [662.3669, 405.0], [648.3877, 192.0], [630.3771, 151.0], [620.3564, 151.0], [176.9354, 850.0], [158.9248, 2810.0], [96.9691, 350.0], [78.9585, 842.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000194)", "MOLECULEMASS": "1744.2765", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "188", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1745.2838", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1744.276500", "SPLASH": "splash10-00kb-9020200500-febe71a8325c515e7f95"}, "peaks": [[1744.2765, 59.0], [1516.0676, 692.0], [1500.0727, 92.0], [1271.8638, 5143.0], [1230.8372, 579.0], [1063.681, 3461.0], [1045.6705, 9016.0], [1022.6545, 741.0], [1004.6439, 2061.0], [944.6228, 568.0], [817.4616, 994.0], [776.435, 146.0], [736.4401, 2839.0], [718.4295, 10000.0], [694.4295, 81.0], [676.419, 459.0], [658.4084, 308.0], [532.2312, 189.0], [490.2206, 4559.0], [448.21, 184.0], [430.1995, 1017.0], [350.2331, 141.0], [96.9691, 2585.0], [78.9585, 3736.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C10:0_(OH)/C16:0-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0-P]|L2D (LMPTD00000102)", "MOLECULEMASS": "1668.0915", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "189", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1669.0988", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1668.091500", "SPLASH": "splash10-0690-3801119001-de884ddbe547e659794b"}, "peaks": [[1668.0915, 10000.0], [1650.0809, 1103.0], [1588.1251, 270.0], [1570.1146, 1247.0], [1411.8512, 1594.0], [1393.8407, 923.0], [1313.8743, 1482.0], [1161.7542, 1022.0], [1143.7436, 2067.0], [1130.7484, 405.0], [1113.6967, 833.0], [961.5766, 540.0], [943.566, 977.0], [832.4976, 540.0], [743.3884, 932.0], [662.3669, 675.0], [638.3669, 540.0], [620.3564, 540.0], [602.3458, 675.0], [462.1893, 405.0], [402.1682, 405.0], [384.1576, 405.0], [176.9354, 1234.0], [158.9248, 6470.0], [96.9691, 1045.0], [78.9585, 4372.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/C16:0-P]|L2D (LMPTD00000138)", "MOLECULEMASS": "2034.4412", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "190", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2035.4485", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2034.441200", "SPLASH": "splash10-0a4i-3910201101-b95c867870cb0e2a3189"}, "peaks": [[2034.4412, 459.0], [2016.4307, 292.0], [1806.2323, 178.0], [1790.2374, 492.0], [1788.2217, 163.0], [1772.2268, 525.0], [1708.2554, 234.0], [1692.2605, 193.0], [1562.0285, 443.0], [1544.0179, 459.0], [1482.0621, 1243.0], [1464.0516, 391.0], [1255.8688, 669.0], [1237.8583, 409.0], [1207.8113, 655.0], [999.6286, 651.0], [981.618, 652.0], [916.5915, 306.0], [856.5704, 171.0], [781.4404, 273.0], [708.4088, 292.0], [704.4503, 256.0], [690.3982, 849.0], [686.4397, 193.0], [648.3877, 352.0], [630.3771, 267.0], [490.2206, 240.0], [448.21, 214.0], [430.1995, 423.0], [412.1889, 225.0], [176.9354, 1152.0], [158.9248, 10000.0], [96.9691, 767.0], [78.9585, 2630.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-NIL-NIL/NIL-NIL]|L2D (LMPTD00000107)", "MOLECULEMASS": "1263.8587", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "191", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1264.866", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1263.858700", "SPLASH": "splash10-0f96-9000514631-8a8ec55e1a69b9add093"}, "peaks": [[1245.8481, 540.0], [1035.6498, 1240.0], [976.6126, 1860.0], [916.5915, 540.0], [827.467, 2480.0], [809.4565, 3486.0], [768.4299, 2480.0], [750.4194, 7440.0], [708.4088, 1240.0], [690.3982, 6820.0], [630.3771, 620.0], [609.2788, 1240.0], [550.2417, 3333.0], [490.2206, 7367.0], [430.1995, 1860.0], [96.9691, 4727.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl-aminoarabinose C1-mono-phosphoryl-aminoarabinose di-glucosamine [PAra4N-C13:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-PAra4N]|L2D (LMPTD00000152)", "MOLECULEMASS": "2072.3437", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "192", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2073.351", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2072.343700", "SPLASH": "splash10-0900-4571560490-11edf3706707dbc5033d"}, "peaks": [[1810.2272, 10000.0], [1792.2166, 679.0], [1730.2609, 557.0], [1712.2503, 1691.0], [1582.0183, 1691.0], [1566.0234, 4348.0], [1548.0128, 748.0], [1502.052, 509.0], [1486.057, 795.0], [1484.0414, 1982.0], [1468.0465, 2100.0], [1337.8144, 1278.0], [1289.8743, 483.0], [1271.8638, 1495.0], [1257.8481, 2582.0], [1239.8376, 1713.0], [1045.6705, 1182.0], [1027.6599, 626.0], [799.451, 387.0], [736.4401, 387.0], [718.4295, 557.0], [710.4244, 408.0], [466.2206, 387.0], [448.21, 387.0], [210.0167, 1644.0], [176.9354, 1400.0], [158.9248, 4687.0], [96.9691, 1787.0], [78.9585, 1909.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A di-acyl C4'-di-phosphoryl  di-glucosamine [PP-NIL/NIL-C14:0_(OH)/NIL-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000002)", "MOLECULEMASS": "951.4596", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "193", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "952.4669", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "951.459600", "SPLASH": "splash10-0pdi-9800141033-fbe17bc8cf2ec8ee8550"}, "peaks": [[951.4596, 3660.0], [933.449, 1464.0], [871.4932, 488.0], [853.4827, 4633.0], [666.2292, 976.0], [648.2186, 488.0], [606.208, 244.0], [588.1975, 244.0], [586.2628, 488.0], [568.2523, 3172.0], [526.2417, 976.0], [508.2312, 1464.0], [484.2312, 488.0], [466.2206, 488.0], [448.21, 488.0], [176.9354, 2440.0], [158.9248, 10000.0], [96.9691, 5120.0], [78.9585, 7804.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl-aminoarabinose C1-mono-phosphoryl-aminoarabinose di-glucosamine [PAra4N-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-PAra4N]|L2D (LMPTD00000214)", "MOLECULEMASS": "2086.3594", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "194", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2087.3667", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2086.359400", "SPLASH": "splash10-00di-1220230293-4f54ab7e111600553ec0"}, "peaks": [[1955.3011, 3085.0], [1937.2906, 934.0], [1824.2429, 10000.0], [1806.2323, 302.0], [1744.2765, 607.0], [1726.266, 1175.0], [1596.0339, 1063.0], [1580.039, 1620.0], [1578.0234, 302.0], [1562.0285, 302.0], [1516.0676, 302.0], [1500.0727, 455.0], [1498.057, 1645.0], [1482.0621, 999.0], [1351.8301, 607.0], [1333.8195, 151.0], [1271.8638, 988.0], [1253.8532, 758.0], [1045.6705, 607.0], [1027.6599, 607.0], [944.6228, 302.0], [799.451, 302.0], [710.4244, 455.0], [466.2206, 302.0], [448.21, 302.0], [210.0167, 607.0], [176.9354, 1705.0], [158.9248, 607.0], [96.9691, 151.0], [78.9585, 151.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C14:0_(OH)/C14:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000193)", "MOLECULEMASS": "1081.6916", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "195", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1082.6989", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1081.691600", "SPLASH": "splash10-0002-4000020900-62071a46fd9edf27a0b6"}, "peaks": [[1081.6916, 248.0], [1063.681, 614.0], [853.4827, 44.0], [796.4612, 10000.0], [778.4506, 44.0], [736.4401, 4628.0], [694.4295, 104.0], [676.419, 204.0], [568.2523, 2023.0], [508.2312, 1396.0], [466.2206, 62.0], [448.21, 182.0], [430.1995, 60.0], [350.2331, 35.0], [96.9691, 1625.0], [78.9585, 4701.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-pyrophosphoryl-ethanolamine C1-mono-phosphoryl di-glucosamine [PPEtN-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000134)", "MOLECULEMASS": "1919.2201", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "196", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1920.2274", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1919.220100", "SPLASH": "splash10-014j-1150222829-be75c731b66730f9af3e"}, "peaks": [[1919.2201, 10000.0], [1901.2095, 1121.0], [1839.2538, 1000.0], [1821.2432, 2674.0], [1796.2116, 7119.0], [1778.201, 2663.0], [1760.1904, 169.0], [1716.2452, 394.0], [1698.2347, 1979.0], [1691.0112, 491.0], [1680.2241, 394.0], [1675.0162, 394.0], [1657.0057, 211.0], [1595.0499, 128.0], [1593.0343, 325.0], [1577.0394, 702.0], [1568.0026, 436.0], [1552.0077, 1221.0], [1549.9921, 239.0], [1533.9972, 536.0], [1488.0363, 169.0], [1472.0414, 266.0], [1470.0257, 1761.0], [1454.0308, 508.0], [1452.0152, 183.0], [1436.0203, 156.0], [1366.841, 142.0], [1323.7988, 211.0], [1267.809, 252.0], [1243.8325, 986.0], [1225.8219, 675.0], [1207.8113, 311.0], [1017.6392, 252.0], [999.6286, 239.0], [916.5915, 142.0], [690.3982, 169.0], [219.9776, 4511.0], [201.967, 733.0], [176.9354, 661.0], [158.9248, 972.0], [96.9691, 422.0], [78.9585, 965.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C14:0_(OH)/NIL-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000126)", "MOLECULEMASS": "1097.6865", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "197", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1098.6938", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1097.686500", "SPLASH": "splash10-0fb9-4000050090-09968ccc8f6a1a38cd33"}, "peaks": [[1097.6865, 654.0], [1079.676, 96.0], [853.4827, 10000.0], [812.4561, 1125.0], [794.4456, 128.0], [568.2523, 620.0], [526.2417, 6403.0], [508.2312, 128.0], [484.2312, 231.0], [466.2206, 405.0], [448.21, 78.0], [368.2437, 39.0], [96.9691, 1383.0], [78.9585, 3892.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C12:0_(OH)/C12:0_(OH)-NIL-C12:0_(OH)/C12:0_(OH)-NIL]|L2D (LMPTD00000132)", "MOLECULEMASS": "1211.7546", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "198", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1212.7619", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1211.754600", "SPLASH": "splash10-004i-9000211301-9bd22bfe1e538a37a1cd"}, "peaks": [[1211.7546, 1200.0], [1193.744, 250.0], [995.5821, 2000.0], [779.4095, 2601.0], [756.3935, 1501.0], [696.3724, 1200.0], [678.3618, 250.0], [618.3407, 299.0], [540.221, 2000.0], [480.1999, 1200.0], [438.1893, 601.0], [420.1787, 900.0], [402.1682, 900.0], [96.9691, 2251.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0_(OH)-C12:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000109)", "MOLECULEMASS": "1648.1463", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "199", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1649.1536", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1648.146300", "SPLASH": "splash10-001i-9070702221-90f624e9b1c189350906"}, "peaks": [[1648.1463, 2816.0], [1447.9686, 2110.0], [1431.9737, 4807.0], [1231.7961, 10000.0], [1162.7382, 380.0], [1051.6447, 2505.0], [1033.6341, 5677.0], [982.5868, 287.0], [964.5762, 835.0], [904.5551, 380.0], [817.4616, 3508.0], [748.4037, 287.0], [724.4037, 479.0], [706.3931, 2910.0], [646.372, 193.0], [532.2312, 193.0], [490.2206, 2050.0], [448.21, 573.0], [430.1995, 380.0], [350.2331, 287.0], [96.9691, 860.0], [78.9585, 2900.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-NIL-C14:0_(OH)/NIL-P]|L2D (LMPTD00000200)", "MOLECULEMASS": "1598.0496", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "200", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1599.0569", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1598.049600", "SPLASH": "splash10-056s-9810120200-d6d2e9f64055c0b4dc65"}, "peaks": [[1598.0496, 959.0], [1580.039, 660.0], [1518.0833, 326.0], [1500.0727, 894.0], [1369.8407, 605.0], [1351.8301, 433.0], [1289.8743, 326.0], [1271.8638, 913.0], [1214.8423, 326.0], [1063.681, 706.0], [1045.6705, 1753.0], [1004.6439, 433.0], [944.6228, 326.0], [817.4616, 1019.0], [796.4612, 433.0], [778.4506, 1148.0], [736.4401, 433.0], [718.4295, 1195.0], [676.419, 544.0], [658.4084, 433.0], [550.2417, 326.0], [490.2206, 1212.0], [448.21, 433.0], [430.1995, 894.0], [176.9354, 2640.0], [158.9248, 10000.0], [96.9691, 3959.0], [78.9585, 7009.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000153)", "MOLECULEMASS": "1796.2116", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "201", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1797.2189", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1796.211600", "SPLASH": "splash10-056s-6910211201-3c997e6ae96b1ac094a1"}, "peaks": [[1796.2116, 1693.0], [1778.201, 300.0], [1698.2347, 289.0], [1568.0026, 327.0], [1552.0077, 1535.0], [1533.9972, 376.0], [1472.0414, 318.0], [1470.0257, 512.0], [1454.0308, 819.0], [1323.7988, 661.0], [1305.7882, 293.0], [1243.8325, 1210.0], [1225.8219, 1204.0], [1017.6392, 1186.0], [999.6286, 1369.0], [976.6126, 139.0], [916.5915, 395.0], [856.5704, 158.0], [799.451, 399.0], [710.4244, 127.0], [708.4088, 484.0], [690.3982, 1312.0], [648.3877, 231.0], [630.3771, 218.0], [490.2206, 688.0], [466.2206, 412.0], [448.21, 438.0], [430.1995, 549.0], [412.1889, 158.0], [332.2226, 166.0], [176.9354, 3403.0], [158.9248, 10000.0], [96.9691, 2723.0], [78.9585, 6015.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000153)", "MOLECULEMASS": "1796.2116", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "202", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1797.2189", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1796.211600", "SPLASH": "splash10-0002-1410230900-7a4f3a5264201a978f14"}, "peaks": [[1796.2116, 10000.0], [1778.201, 386.0], [1716.2452, 68.0], [1698.2347, 746.0], [1568.0026, 649.0], [1552.0077, 3515.0], [1549.9921, 56.0], [1533.9972, 418.0], [1472.0414, 323.0], [1470.0257, 851.0], [1454.0308, 1109.0], [1323.7988, 752.0], [1305.7882, 162.0], [1243.8325, 1230.0], [1225.8219, 1112.0], [1144.8004, 66.0], [1017.6392, 553.0], [999.6286, 519.0], [916.5915, 160.0], [799.451, 130.0], [710.4244, 153.0], [708.4088, 87.0], [690.3982, 240.0], [648.3877, 124.0], [630.3771, 76.0], [490.2206, 87.0], [466.2206, 153.0], [448.21, 137.0], [430.1995, 117.0], [412.1889, 55.0], [332.2226, 56.0], [176.9354, 1730.0], [158.9248, 3997.0], [96.9691, 604.0], [78.9585, 978.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000203)", "MOLECULEMASS": "1490.052", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "203", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1491.0593", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1490.052000", "SPLASH": "splash10-0udl-3010203902-fb73e14bb443d4ef032b"}, "peaks": [[1490.052, 378.0], [1472.0414, 24.0], [1261.843, 2080.0], [1204.8216, 40.0], [1053.6603, 592.0], [1035.6498, 1284.0], [976.6126, 3239.0], [916.5915, 362.0], [835.4721, 97.0], [768.4299, 4563.0], [750.4194, 10000.0], [708.4088, 1292.0], [690.3982, 6024.0], [666.3982, 52.0], [648.3877, 80.0], [630.3771, 229.0], [550.2417, 1686.0], [490.2206, 2616.0], [448.21, 105.0], [430.1995, 579.0], [350.2331, 32.0], [96.9691, 1243.0], [78.9585, 2398.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000221)", "MOLECULEMASS": "1279.8536", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "204", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1280.8609", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1279.853600", "SPLASH": "splash10-056r-9000010300-cef17b535572244d473d"}, "peaks": [[1035.6498, 218.0], [994.6232, 1071.0], [976.6126, 270.0], [835.4721, 104.0], [794.4456, 438.0], [708.4088, 4358.0], [690.3982, 171.0], [666.3982, 134.0], [648.3877, 360.0], [630.3771, 27.0], [550.2417, 363.0], [508.2312, 1671.0], [466.2206, 88.0], [448.21, 697.0], [430.1995, 60.0], [368.2437, 25.0], [350.2331, 70.0], [96.9691, 3033.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C10:0-C12:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000021)", "MOLECULEMASS": "1684.0864", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "205", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1685.0937", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1684.086400", "SPLASH": "splash10-0api-1911406001-5bc9ba6d57c072fa17e2"}, "peaks": [[1684.0864, 7905.0], [1666.0758, 707.0], [1604.12, 237.0], [1586.1095, 707.0], [1483.9087, 470.0], [1467.9138, 4366.0], [1449.9033, 1181.0], [1387.9475, 237.0], [1385.9318, 470.0], [1369.9369, 1181.0], [1267.7362, 1268.0], [1249.7256, 470.0], [1187.7699, 1534.0], [1169.7593, 1474.0], [1060.7065, 237.0], [989.6079, 707.0], [971.5973, 1504.0], [860.5289, 470.0], [680.3775, 470.0], [662.3669, 944.0], [620.3564, 470.0], [602.3458, 470.0], [448.21, 470.0], [430.1995, 470.0], [176.9354, 2388.0], [158.9248, 10000.0], [96.9691, 707.0], [78.9585, 2035.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C10:0_(OH)-C12:0_(OH)-C14:0_(OH)/C12:0-NIL]|L2D (LMPTD00000197)", "MOLECULEMASS": "1802.282", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "206", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1803.2893", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1802.282000", "SPLASH": "splash10-000i-2838019045-933c3cfe589e1e18ae54"}, "peaks": [[1802.282, 3300.0], [1602.1044, 4119.0], [1586.1095, 1646.0], [1385.9318, 10000.0], [1205.7804, 4740.0], [1187.7699, 7420.0], [1134.7069, 2473.0], [987.5922, 2473.0], [954.5555, 1646.0], [936.545, 2473.0], [876.5238, 1646.0], [696.3724, 1646.0], [678.3618, 3300.0], [636.3513, 1646.0], [96.9691, 1646.0], [78.9585, 1646.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl-aminoarabinose  di-glucosamine [PAra4N-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000114)", "MOLECULEMASS": "1621.1102", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "207", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1622.1175", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1621.110200", "SPLASH": "splash10-03di-1192003200-3b0ab925aa3fecb1d7d8"}, "peaks": [[1621.1102, 1075.0], [1603.0996, 239.0], [1392.9013, 2142.0], [1335.8798, 398.0], [1261.843, 99.0], [1107.6709, 1922.0], [1047.6498, 91.0], [1035.6498, 385.0], [768.4299, 266.0], [750.4194, 3222.0], [708.4088, 148.0], [690.3982, 2365.0], [550.2417, 356.0], [490.2206, 610.0], [430.1995, 112.0], [228.0273, 896.0], [210.0167, 10000.0], [96.9691, 171.0], [78.9585, 696.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-P]|L2D (LMPTD00000157)", "MOLECULEMASS": "1513.9557", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "208", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1514.963", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1513.955700", "SPLASH": "splash10-0cfr-8920351100-de81a66f1562d4929349"}, "peaks": [[1513.9557, 8473.0], [1495.9451, 1396.0], [1415.9788, 1693.0], [1313.7781, 1334.0], [1295.7675, 567.0], [1233.8117, 413.0], [1215.8012, 2005.0], [1130.7484, 321.0], [1035.6498, 1560.0], [1017.6392, 2742.0], [948.5813, 401.0], [888.5602, 472.0], [817.4616, 784.0], [768.4299, 315.0], [750.4194, 1084.0], [708.4088, 315.0], [690.3982, 1001.0], [648.3877, 348.0], [630.3771, 459.0], [490.2206, 398.0], [484.2312, 333.0], [448.21, 615.0], [430.1995, 561.0], [412.1889, 437.0], [176.9354, 2454.0], [158.9248, 10000.0], [96.9691, 2258.0], [78.9585, 4840.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl-aminoarabinose  di-glucosamine [PAra4N-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000170)", "MOLECULEMASS": "1875.3348", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "209", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1876.3421", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1875.334800", "SPLASH": "splash10-03di-3090000200-f6d059ed8cbbd4fc7f57"}, "peaks": [[1875.3348, 417.0], [1647.1258, 690.0], [1590.1044, 152.0], [1500.0727, 102.0], [1402.922, 296.0], [1361.8955, 585.0], [1271.8638, 119.0], [1075.681, 72.0], [1063.681, 92.0], [1045.6705, 550.0], [1022.6545, 119.0], [1004.6439, 1559.0], [817.4616, 229.0], [776.435, 220.0], [736.4401, 99.0], [718.4295, 2336.0], [532.2312, 125.0], [490.2206, 370.0], [430.1995, 146.0], [228.0273, 622.0], [210.0167, 10000.0], [96.9691, 282.0], [78.9585, 934.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C11:0-NIL-C12:0_(OH)/C12:0-NIL]|L2D (LMPTD00000089)", "MOLECULEMASS": "1335.8798", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "210", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1336.8871", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1335.879800", "SPLASH": "splash10-05p2-2908111831-b1c49c3b80cae5e0f707"}, "peaks": [[1335.8798, 10000.0], [1317.8692, 2715.0], [1165.7491, 5378.0], [1147.7386, 7430.0], [947.5609, 1451.0], [896.5136, 4642.0], [726.383, 4528.0], [708.3724, 7979.0], [666.3618, 570.0], [648.3513, 1492.0], [522.2104, 1793.0], [462.1893, 1959.0], [402.1682, 694.0], [96.9691, 1430.0], [78.9585, 2456.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl-aminoarabinose di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0_(OH)-NIL-C12:0_(OH)/C12:0_(OH)-PAra4N]|L2D (LMPTD00000201)", "MOLECULEMASS": "1592.9099", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "211", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1593.9172", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1592.909900", "SPLASH": "splash10-0a6r-6900201301-0343102868d51ca5762f"}, "peaks": [[1461.8516, 351.0], [1443.841, 296.0], [1363.8747, 576.0], [1193.744, 815.0], [1175.7335, 1539.0], [959.5609, 2152.0], [908.5136, 570.0], [866.5031, 123.0], [848.4925, 204.0], [756.3935, 727.0], [743.3884, 2585.0], [738.383, 1536.0], [696.3724, 311.0], [678.3618, 1011.0], [636.3513, 174.0], [618.3407, 182.0], [522.2104, 861.0], [462.1893, 1297.0], [420.1787, 342.0], [402.1682, 915.0], [384.1576, 191.0], [228.0273, 48.0], [210.0167, 408.0], [176.9354, 1710.0], [158.9248, 10000.0], [96.9691, 2799.0], [78.9585, 6911.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C12:0_(OH)/C12:0-C12:0_(OH)/NIL-C12:0_(OH)-C12:0_(OH)/C14:0-NIL]|L2D (LMPTD00000088)", "MOLECULEMASS": "1604.12", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "212", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1605.1273", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1604.120000", "SPLASH": "splash10-0f79-4403709305-e8a45b4063949a804636"}, "peaks": [[1604.12, 10000.0], [1403.9424, 9344.0], [1387.9475, 3964.0], [1187.7699, 6225.0], [989.6079, 4906.0], [936.545, 2987.0], [756.3935, 1479.0], [738.383, 3586.0], [678.3618, 1855.0], [522.2104, 1130.0], [480.1999, 726.0], [96.9691, 1605.0], [78.9585, 4906.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000153)", "MOLECULEMASS": "1796.2116", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "213", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1797.2189", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1796.211600", "SPLASH": "splash10-0f6t-1421351900-ea2b8a9ddb5c672e5c9b"}, "peaks": [[1796.2116, 10000.0], [1778.201, 817.0], [1698.2347, 1350.0], [1568.0026, 1019.0], [1552.0077, 4843.0], [1549.9921, 213.0], [1533.9972, 872.0], [1472.0414, 723.0], [1470.0257, 1221.0], [1454.0308, 2018.0], [1323.7988, 1088.0], [1305.7882, 339.0], [1243.8325, 1169.0], [1225.8219, 1392.0], [1017.6392, 691.0], [999.6286, 584.0], [916.5915, 213.0], [799.451, 281.0], [710.4244, 304.0], [690.3982, 304.0], [466.2206, 345.0], [448.21, 265.0], [430.1995, 313.0], [176.9354, 2247.0], [158.9248, 4061.0], [96.9691, 668.0], [78.9585, 749.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-NIL/NIL-C12:0_(OH)/C12:0_(OH)-C12:0_(OH)-C12:0_(OH)/NIL-P]|L2D (LMPTD00000092)", "MOLECULEMASS": "1291.7209", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "214", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1292.7282", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1291.720900", "SPLASH": "splash10-0006-2390000001-4288a490d055de0c5c7e"}, "peaks": [[1291.7209, 10000.0], [1273.7104, 1047.0], [1211.7546, 171.0], [1193.744, 1521.0], [1075.5484, 1421.0], [1057.5378, 171.0], [995.5821, 516.0], [977.5715, 1233.0], [761.399, 689.0], [738.383, 516.0], [696.3724, 345.0], [654.3618, 689.0], [636.3513, 171.0], [522.2104, 516.0], [480.1999, 171.0], [420.1787, 345.0], [402.1682, 171.0], [176.9354, 516.0], [158.9248, 2253.0], [96.9691, 345.0], [78.9585, 1047.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C13:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000234)", "MOLECULEMASS": "1730.2609", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "215", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1731.2682", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1730.260900", "SPLASH": "splash10-0kai-9070120401-497ccaec60de69b9f99d"}, "peaks": [[1730.2609, 3265.0], [1502.052, 3953.0], [1486.057, 1141.0], [1257.8481, 10000.0], [1216.8216, 1066.0], [1049.6654, 3152.0], [1031.6548, 6818.0], [1008.6388, 423.0], [990.6283, 1172.0], [930.6072, 393.0], [817.4616, 922.0], [722.4244, 733.0], [704.4139, 2101.0], [490.2206, 1459.0], [448.21, 287.0], [96.9691, 1081.0], [78.9585, 2063.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C13:0_(OH)/C12:0-C14:0_(OH)/C12:0-C12:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000035)", "MOLECULEMASS": "1726.1333", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "216", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1727.1406", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1726.133300", "SPLASH": "splash10-056r-3920331600-5c074cf68b51509bf0d6"}, "peaks": [[1726.1333, 7734.0], [1708.1228, 1160.0], [1628.1564, 1160.0], [1525.9557, 1428.0], [1509.9608, 3883.0], [1491.9502, 617.0], [1429.9944, 656.0], [1427.9788, 1467.0], [1411.9839, 1855.0], [1309.7831, 927.0], [1291.7726, 418.0], [1229.8168, 1700.0], [1211.8062, 1816.0], [1017.6392, 1544.0], [999.6286, 1428.0], [799.451, 487.0], [708.4088, 311.0], [690.3982, 733.0], [682.3931, 375.0], [648.3877, 444.0], [466.2206, 440.0], [448.21, 457.0], [430.1995, 354.0], [176.9354, 3972.0], [158.9248, 10000.0], [96.9691, 1739.0], [78.9585, 2472.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-pyrophosphoryl-ethanolamine C1-mono-phosphoryl di-glucosamine [PPEtN-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000134)", "MOLECULEMASS": "1919.2201", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "217", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1920.2274", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1919.220100", "SPLASH": "splash10-01di-2392441313-1a9bdc1743185355751e"}, "peaks": [[1919.2201, 5339.0], [1901.2095, 1335.0], [1839.2538, 2669.0], [1821.2432, 1335.0], [1796.2116, 6673.0], [1778.201, 2669.0], [1698.2347, 1335.0], [1680.2241, 1335.0], [1593.0343, 1335.0], [1577.0394, 1335.0], [1568.0026, 1335.0], [1552.0077, 2669.0], [1549.9921, 1335.0], [1533.9972, 2669.0], [1515.9866, 1335.0], [1472.0414, 1335.0], [1470.0257, 8227.0], [1454.0308, 2669.0], [1452.0152, 1335.0], [1366.841, 1335.0], [1348.8304, 1335.0], [1323.7988, 2669.0], [1305.7882, 1335.0], [1243.8325, 4004.0], [1225.8219, 4004.0], [1207.8113, 2669.0], [999.6286, 2669.0], [690.3982, 2669.0], [219.9776, 10000.0], [201.967, 4004.0], [176.9354, 2669.0], [158.9248, 6673.0], [78.9585, 7894.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C12:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000078)", "MOLECULEMASS": "1716.2452", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "218", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1717.2525", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1716.245200", "SPLASH": "splash10-00r2-9040100300-35bf962324c182311c71"}, "peaks": [[1716.2452, 1276.0], [1516.0676, 2070.0], [1472.0414, 839.0], [1271.8638, 10000.0], [1230.8372, 1044.0], [1063.681, 4960.0], [1045.6705, 9795.0], [1022.6545, 811.0], [1004.6439, 1793.0], [944.6228, 776.0], [817.4616, 1160.0], [776.435, 303.0], [736.4401, 1472.0], [718.4295, 4853.0], [490.2206, 2284.0], [448.21, 330.0], [430.1995, 348.0], [96.9691, 1338.0], [78.9585, 1855.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-NIL/NIL-C14:0_(OH)/C14:0-NIL-C14:0_(OH)/NIL-P]|L2D (LMPTD00000052)", "MOLECULEMASS": "1161.6579", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "219", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1162.6652", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1161.657900", "SPLASH": "splash10-0bvi-5900000210-33a590fc8f3486234f8d"}, "peaks": [[1161.6579, 3650.0], [1143.6474, 2002.0], [1081.6916, 247.0], [1063.681, 5831.0], [835.4721, 2198.0], [796.4612, 889.0], [778.4506, 1786.0], [736.4401, 1125.0], [718.4295, 1042.0], [694.4295, 204.0], [676.419, 338.0], [658.4084, 176.0], [568.2523, 307.0], [508.2312, 315.0], [484.2312, 488.0], [466.2206, 204.0], [448.21, 378.0], [430.1995, 119.0], [350.2331, 193.0], [176.9354, 2113.0], [158.9248, 10000.0], [96.9691, 2247.0], [78.9585, 3260.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000215)", "MOLECULEMASS": "1824.2429", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "220", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1825.2502", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1824.242900", "SPLASH": "splash10-056r-9810220230-c646a9bc532f1fd6cf9b"}, "peaks": [[1824.2429, 3999.0], [1806.2323, 697.0], [1726.266, 869.0], [1596.0339, 869.0], [1580.039, 2565.0], [1578.0234, 520.0], [1562.0285, 347.0], [1516.0676, 173.0], [1500.0727, 347.0], [1498.057, 1217.0], [1482.0621, 869.0], [1351.8301, 869.0], [1333.8195, 347.0], [1271.8638, 1129.0], [1253.8532, 869.0], [1172.8317, 347.0], [1154.8212, 347.0], [1045.6705, 1522.0], [1027.6599, 1522.0], [944.6228, 347.0], [884.6017, 347.0], [799.451, 520.0], [736.4401, 1433.0], [718.4295, 869.0], [676.419, 347.0], [490.2206, 520.0], [466.2206, 347.0], [448.21, 347.0], [430.1995, 347.0], [176.9354, 3868.0], [158.9248, 10000.0], [96.9691, 3868.0], [78.9585, 8128.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/C16:0-NIL]|L2D (LMPTD00000075)", "MOLECULEMASS": "1954.4749", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "221", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1955.4822", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1954.474900", "SPLASH": "splash10-054o-4080907407-04ed3a29ed3a957ad5fd"}, "peaks": [[1954.4749, 680.0], [1726.266, 3388.0], [1482.0621, 7204.0], [1273.8794, 5000.0], [1255.8688, 7795.0], [1202.8059, 1698.0], [999.6286, 6612.0], [994.6232, 680.0], [976.6126, 2631.0], [916.5915, 1359.0], [799.451, 1019.0], [776.435, 680.0], [708.4088, 2631.0], [690.3982, 10000.0], [648.3877, 680.0], [630.3771, 680.0], [490.2206, 6272.0], [430.1995, 1019.0], [332.2226, 680.0], [96.9691, 2369.0], [78.9585, 5505.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C14:0_(OH)/C14:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000193)", "MOLECULEMASS": "1081.6916", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "222", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1082.6989", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1081.691600", "SPLASH": "splash10-004i-9000010100-c544ae640dc96ba6899d"}, "peaks": [[1063.681, 88.0], [853.4827, 88.0], [796.4612, 1402.0], [736.4401, 762.0], [694.4295, 88.0], [676.419, 88.0], [568.2523, 541.0], [508.2312, 1501.0], [448.21, 177.0], [430.1995, 88.0], [96.9691, 1788.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-di-phosphoryl  di-glucosamine [PP-NIL/NIL-C14:0_(OH)/C10:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000027)", "MOLECULEMASS": "1105.5953", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "223", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1106.6026", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1105.595300", "SPLASH": "splash10-0a4i-6900000100-6a1ff7c213474ab44960"}, "peaks": [[1105.5953, 5177.0], [1087.5848, 1388.0], [1025.629, 130.0], [1007.6184, 4321.0], [835.4721, 422.0], [820.365, 732.0], [802.3544, 576.0], [742.3332, 154.0], [740.3986, 544.0], [722.388, 1148.0], [700.3227, 118.0], [680.3775, 688.0], [662.3669, 969.0], [550.2417, 208.0], [490.2206, 154.0], [448.21, 262.0], [176.9354, 1584.0], [158.9248, 10000.0], [96.9691, 1798.0], [78.9585, 4563.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C12:0_(OH)/C12:0-C12:0_(OH)/C12:0_(OH)-NIL-C12:0_(OH)/C14:0-NIL]|L2D (LMPTD00000101)", "MOLECULEMASS": "1604.12", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "224", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1605.1273", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1604.120000", "SPLASH": "splash10-0550-3010524902-31870351f3470c06db17"}, "peaks": [[1604.12, 1630.0], [1403.9424, 4189.0], [1223.791, 971.0], [1205.7804, 2337.0], [1118.712, 194.0], [936.545, 4549.0], [876.5238, 583.0], [756.3935, 5645.0], [738.383, 10000.0], [696.3724, 1290.0], [678.3618, 4986.0], [654.3618, 388.0], [618.3407, 388.0], [522.2104, 3481.0], [462.1893, 4452.0], [402.1682, 583.0], [96.9691, 1387.0], [78.9585, 4431.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C12:0_(OH)/C14:0-C12:0_(OH)-C12:0_(OH)/C12:0-P]|L2D (LMPTD00000187)", "MOLECULEMASS": "1866.2534", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "225", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1867.2607", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1866.253400", "SPLASH": "splash10-014i-1401112090-848a384a0294d51aea56"}, "peaks": [[1866.2534, 10000.0], [1848.2429, 326.0], [1786.2871, 121.0], [1768.2765, 515.0], [1666.0758, 861.0], [1650.0809, 1361.0], [1648.0652, 161.0], [1632.0703, 365.0], [1586.1095, 121.0], [1570.1146, 341.0], [1568.0989, 775.0], [1552.104, 401.0], [1449.9033, 905.0], [1431.8927, 306.0], [1369.9369, 711.0], [1351.9264, 766.0], [1171.775, 491.0], [1153.7644, 200.0], [1151.7487, 700.0], [971.5973, 260.0], [953.5868, 286.0], [690.3982, 161.0], [648.3877, 161.0], [620.3564, 250.0], [176.9354, 636.0], [158.9248, 2701.0], [96.9691, 370.0], [78.9585, 1046.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-NIL/NIL-C14:0_(OH)/C12:0-C12:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000127)", "MOLECULEMASS": "1331.7886", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "226", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1332.7959", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1331.788600", "SPLASH": "splash10-056r-8911001000-40edc327ef9b991b7655"}, "peaks": [[1331.7886, 1356.0], [1313.7781, 1171.0], [1233.8117, 1769.0], [1115.6161, 1599.0], [1097.6055, 969.0], [1035.6498, 3038.0], [1017.6392, 1939.0], [948.5813, 455.0], [817.4616, 1369.0], [708.4088, 1283.0], [690.3982, 1213.0], [666.3982, 344.0], [648.3877, 344.0], [630.3771, 229.0], [550.2417, 229.0], [508.2312, 455.0], [466.2206, 455.0], [448.21, 344.0], [430.1995, 455.0], [176.9354, 3625.0], [158.9248, 10000.0], [96.9691, 2211.0], [78.9585, 6406.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C10:0_(OH)/C16:0-C12:0_(OH)/C12:0_(OH)-NIL-C12:0_(OH)/C12:0_(OH)-P]|L2D (LMPTD00000079)", "MOLECULEMASS": "1700.0813", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "227", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1701.0886", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1700.081300", "SPLASH": "splash10-0a6r-4900201201-a141273530fe49e4d3b9"}, "peaks": [[1700.0813, 1032.0], [1682.0707, 501.0], [1620.115, 335.0], [1602.1044, 977.0], [1443.841, 335.0], [1425.8305, 335.0], [1345.8642, 836.0], [1193.744, 1089.0], [1175.7335, 1340.0], [1146.7433, 335.0], [1129.6916, 836.0], [977.5715, 501.0], [959.5609, 1842.0], [908.5136, 335.0], [743.3884, 2569.0], [738.383, 670.0], [678.3618, 836.0], [636.3513, 501.0], [522.2104, 836.0], [462.1893, 1340.0], [420.1787, 501.0], [402.1682, 921.0], [384.1576, 501.0], [176.9354, 1675.0], [158.9248, 10000.0], [96.9691, 2124.0], [78.9585, 5166.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/C16:0-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0-NIL]|L2D (LMPTD00000182)", "MOLECULEMASS": "1588.1251", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "229", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1589.1324", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1588.125100", "SPLASH": "splash10-022c-3102114930-745b30dc43f644a7b151"}, "peaks": [[1588.1251, 977.0], [1570.1146, 169.0], [1331.8849, 3406.0], [1179.7648, 1237.0], [1161.7542, 1703.0], [1148.759, 169.0], [961.5766, 1001.0], [892.5187, 4958.0], [832.4976, 534.0], [740.3986, 5233.0], [722.388, 10000.0], [680.3775, 1788.0], [662.3669, 5469.0], [602.3458, 512.0], [522.2104, 2063.0], [462.1893, 1848.0], [402.1682, 658.0], [96.9691, 1764.0], [78.9585, 3895.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl-aminoarabinose di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0_(OH)-NIL-C14:0_(OH)/NIL-PAra4N]|L2D (LMPTD00000073)", "MOLECULEMASS": "1745.1027", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "230", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1746.11", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1745.102700", "SPLASH": "splash10-03di-7231339300-adbdd8163f1344fec732"}, "peaks": [[1745.1027, 649.0], [1727.0922, 1304.0], [1614.0445, 10000.0], [1596.0339, 1954.0], [1516.0676, 2609.0], [1385.8356, 1304.0], [1287.8587, 1954.0], [1248.8478, 649.0], [1230.8372, 1304.0], [1079.676, 1304.0], [1061.6654, 1954.0], [1020.6388, 1304.0], [794.4456, 649.0], [734.4244, 1304.0], [692.4139, 649.0], [490.2206, 649.0], [484.2312, 649.0], [466.2206, 649.0], [448.21, 649.0], [430.1995, 649.0], [412.1889, 1304.0], [210.0167, 542.0], [176.9354, 1304.0], [158.9248, 1304.0], [96.9691, 1954.0], [78.9585, 2609.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000125)", "MOLECULEMASS": "1716.2452", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "231", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1717.2525", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1716.245200", "SPLASH": "splash10-00kf-9060303101-8acf40da7199228849d2"}, "peaks": [[1716.2452, 1054.0], [1488.0363, 2988.0], [1472.0414, 824.0], [1243.8325, 10000.0], [1202.8059, 741.0], [1035.6498, 3656.0], [1017.6392, 7555.0], [994.6232, 755.0], [976.6126, 1542.0], [916.5915, 470.0], [817.4616, 612.0], [776.435, 114.0], [708.4088, 1809.0], [690.3982, 4825.0], [666.3982, 78.0], [648.3877, 143.0], [630.3771, 267.0], [532.2312, 78.0], [490.2206, 1280.0], [448.21, 161.0], [430.1995, 308.0], [350.2331, 97.0], [96.9691, 1017.0], [78.9585, 1800.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-di-phosphoryl  di-glucosamine [PP-NIL/NIL-C14:0_(OH)/C14:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000233)", "MOLECULEMASS": "1161.6579", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "232", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1162.6652", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1161.657900", "SPLASH": "splash10-0bvi-5900000220-ebe33d180c70ff0cc4ee"}, "peaks": [[1161.6579, 3650.0], [1143.6474, 2002.0], [1081.6916, 247.0], [1063.681, 5831.0], [876.4276, 1596.0], [858.417, 773.0], [835.4721, 2198.0], [816.4064, 115.0], [798.3958, 170.0], [796.4612, 889.0], [778.4506, 1786.0], [756.3853, 187.0], [736.4401, 1125.0], [718.4295, 1042.0], [550.2417, 520.0], [528.1764, 99.0], [490.2206, 193.0], [466.2206, 204.0], [448.21, 378.0], [430.1995, 119.0], [176.9354, 2113.0], [158.9248, 10000.0], [96.9691, 2247.0], [78.9585, 3260.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/NIL-C14:0_(OH)/NIL-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000010)", "MOLECULEMASS": "1097.6865", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "233", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1098.6938", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1097.686500", "SPLASH": "splash10-0002-9000060040-3c0d9506511d07451b52"}, "peaks": [[1097.6865, 10000.0], [1079.676, 677.0], [871.4932, 848.0], [853.4827, 3173.0], [812.4561, 1710.0], [794.4456, 200.0], [752.435, 154.0], [710.4244, 109.0], [586.2628, 2620.0], [568.2523, 3897.0], [526.2417, 1048.0], [508.2312, 1324.0], [484.2312, 109.0], [466.2206, 154.0], [448.21, 109.0], [350.2331, 77.0], [96.9691, 384.0], [78.9585, 570.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-di-phosphoryl di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-PP]|L2D (LMPTD00000167)", "MOLECULEMASS": "1525.823", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "234", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1526.8303", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1525.823000", "SPLASH": "splash10-056r-1900100000-d0ce6a74c19cd64fc8ef"}, "peaks": [[1525.823, 73.0], [1445.8567, 266.0], [1427.8461, 1659.0], [1347.8798, 671.0], [1177.7491, 664.0], [1159.7386, 1388.0], [1131.7073, 407.0], [961.5766, 389.0], [943.566, 1071.0], [850.5082, 106.0], [832.4976, 158.0], [772.4765, 97.0], [743.3884, 430.0], [734.3282, 138.0], [680.3775, 161.0], [662.3669, 271.0], [636.3513, 204.0], [620.3564, 136.0], [602.3458, 182.0], [420.1787, 319.0], [402.1682, 257.0], [384.1576, 101.0], [176.9354, 9243.0], [158.9248, 10000.0], [96.9691, 532.0], [78.9585, 2987.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C12:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000211)", "MOLECULEMASS": "1688.2139", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "236", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1689.2212", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1688.213900", "SPLASH": "splash10-00kf-9040102001-cc34a2ffc55cc7f39e5e"}, "peaks": [[1688.2139, 175.0], [1488.0363, 1097.0], [1444.0101, 170.0], [1243.8325, 8170.0], [1202.8059, 659.0], [1035.6498, 4910.0], [1017.6392, 10000.0], [994.6232, 536.0], [976.6126, 1432.0], [916.5915, 422.0], [817.4616, 685.0], [708.4088, 1448.0], [690.3982, 4796.0], [490.2206, 1061.0], [430.1995, 252.0], [350.2331, 144.0], [96.9691, 752.0], [78.9585, 1056.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl-aminoarabinose C1-mono-phosphoryl-aminoarabinose di-glucosamine [PAra4N-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-PAra4N]|L2D (LMPTD00000196)", "MOLECULEMASS": "2058.3281", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "237", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2059.3354", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2058.328100", "SPLASH": "splash10-0f6t-2330441901-08e75e068477d9c09291"}, "peaks": [[1927.2698, 318.0], [1909.2592, 365.0], [1796.2116, 10000.0], [1778.201, 1124.0], [1716.2452, 948.0], [1698.2347, 1422.0], [1568.0026, 1029.0], [1552.0077, 4780.0], [1533.9972, 711.0], [1488.0363, 270.0], [1472.0414, 872.0], [1470.0257, 2248.0], [1454.0308, 2262.0], [1323.7988, 1299.0], [1243.8325, 2357.0], [1225.8219, 2072.0], [1017.6392, 1062.0], [999.6286, 1204.0], [916.5915, 413.0], [799.451, 332.0], [710.4244, 318.0], [708.4088, 441.0], [690.3982, 631.0], [490.2206, 413.0], [466.2206, 332.0], [448.21, 332.0], [210.0167, 886.0], [176.9354, 1630.0], [158.9248, 2783.0], [96.9691, 886.0], [78.9585, 1726.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0_(OH)-C12:0_(OH)-C14:0_(OH)/C12:0-P]|L2D (LMPTD00000175)", "MOLECULEMASS": "1910.2796", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "238", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1911.2869", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1910.279600", "SPLASH": "splash10-03di-1600204119-1e0dd31cbcd69b3ce677"}, "peaks": [[1910.2796, 10000.0], [1892.2691, 391.0], [1830.3133, 127.0], [1812.3028, 780.0], [1710.102, 1091.0], [1694.1071, 2891.0], [1692.0914, 127.0], [1676.0965, 542.0], [1614.1408, 486.0], [1612.1251, 964.0], [1596.1302, 789.0], [1493.9295, 851.0], [1475.9189, 359.0], [1413.9631, 1011.0], [1395.9526, 1162.0], [1215.8012, 415.0], [1197.7906, 566.0], [1195.775, 685.0], [1015.6235, 318.0], [997.613, 415.0], [904.5551, 318.0], [864.5602, 190.0], [781.4404, 190.0], [724.4037, 190.0], [706.3931, 254.0], [664.3826, 254.0], [648.3877, 190.0], [646.372, 190.0], [490.2206, 254.0], [448.21, 318.0], [430.1995, 254.0], [176.9354, 1026.0], [158.9248, 5048.0], [96.9691, 254.0], [78.9585, 1219.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/C16:0-P]|L2D (LMPTD00000195)", "MOLECULEMASS": "2062.4725", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "239", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2063.4798", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2062.472500", "SPLASH": "splash10-08i0-9630241451-8d15a05c20b61da8ed8a"}, "peaks": [[2062.4725, 7418.0], [2044.462, 1195.0], [1964.4956, 811.0], [1834.2636, 2041.0], [1818.2687, 5135.0], [1816.253, 496.0], [1800.2581, 1673.0], [1754.2973, 400.0], [1738.3024, 846.0], [1736.2867, 2599.0], [1720.2918, 1342.0], [1590.0598, 2965.0], [1572.0492, 1099.0], [1510.0934, 4019.0], [1492.0829, 2311.0], [1283.9002, 2311.0], [1265.8896, 986.0], [1235.8426, 2807.0], [1027.6599, 2012.0], [1009.6494, 1657.0], [948.6541, 592.0], [944.6228, 716.0], [884.6017, 513.0], [781.4404, 428.0], [736.4401, 795.0], [718.4295, 1246.0], [704.4503, 462.0], [686.4397, 496.0], [676.419, 908.0], [658.4084, 541.0], [490.2206, 417.0], [448.21, 417.0], [430.1995, 784.0], [176.9354, 2745.0], [158.9248, 10000.0], [96.9691, 1359.0], [78.9585, 3191.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-NIL/NIL-C12:0_(OH)/C12:0-C10:0_(OH)-C12:0_(OH)/NIL-P]|L2D (LMPTD00000209)", "MOLECULEMASS": "1247.6947", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "240", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1248.702", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1247.694700", "SPLASH": "splash10-002b-2950001014-b0ef71da8c0e39e6b03c"}, "peaks": [[1247.6947, 10000.0], [1229.6842, 2707.0], [1167.7284, 569.0], [1149.7178, 9076.0], [1059.5535, 592.0], [1041.5429, 284.0], [979.5872, 4028.0], [961.5766, 6463.0], [910.5293, 646.0], [892.5187, 3063.0], [761.399, 1019.0], [680.3775, 918.0], [662.3669, 1902.0], [620.3564, 640.0], [602.3458, 284.0], [522.2104, 444.0], [420.1787, 539.0], [402.1682, 391.0], [322.2018, 284.0], [176.9354, 3815.0], [158.9248, 8543.0], [96.9691, 2459.0], [78.9585, 3868.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C16:1-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000149)", "MOLECULEMASS": "1544.0989", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "241", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1545.1062", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1544.098900", "SPLASH": "splash10-0udl-7001320490-2ae30b840f4f3434a9e1"}, "peaks": [[1544.0989, 731.0], [1526.0883, 274.0], [1315.89, 2844.0], [1258.8685, 731.0], [1107.7073, 1011.0], [1089.6967, 3210.0], [1030.6596, 2844.0], [970.6384, 457.0], [822.4769, 3484.0], [804.4663, 10000.0], [762.4557, 1832.0], [744.4452, 4951.0], [702.4346, 457.0], [684.424, 457.0], [550.2417, 2016.0], [490.2206, 3665.0], [430.1995, 1194.0], [96.9691, 2296.0], [78.9585, 3392.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-di-phosphoryl  di-glucosamine [PP-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/C12:0-NIL]|L2D (LMPTD00000208)", "MOLECULEMASS": "1696.1228", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "242", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1697.1301", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1696.122800", "SPLASH": "splash10-0002-2611219001-3e7a9b3b18ce0c7005fc"}, "peaks": [[1696.1228, 10000.0], [1678.1122, 782.0], [1616.1564, 192.0], [1598.1459, 1862.0], [1495.9451, 1723.0], [1477.9346, 615.0], [1415.9788, 192.0], [1397.9682, 2101.0], [1228.7253, 847.0], [1217.8168, 454.0], [1210.7147, 256.0], [1199.8062, 1382.0], [1197.7906, 560.0], [1168.7042, 127.0], [1130.7484, 256.0], [1108.683, 127.0], [1088.7378, 127.0], [1028.5477, 319.0], [1017.6392, 192.0], [1010.5371, 319.0], [999.6286, 719.0], [950.516, 127.0], [948.5813, 127.0], [930.5708, 319.0], [908.5054, 127.0], [888.5602, 256.0], [870.5496, 319.0], [799.451, 192.0], [750.4194, 256.0], [690.3982, 615.0], [448.21, 256.0], [430.1995, 192.0], [176.9354, 710.0], [158.9248, 5023.0], [96.9691, 623.0], [78.9585, 2044.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000153)", "MOLECULEMASS": "1796.2116", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "244", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1797.2189", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1796.211600", "SPLASH": "splash10-0002-0000000900-5ed16f9e077030791188"}, "peaks": [[1796.2116, 10000.0], [1778.201, 98.0], [1716.2452, 49.0], [1698.2347, 244.0], [1568.0026, 289.0], [1552.0077, 480.0], [1533.9972, 98.0], [1472.0414, 98.0], [1470.0257, 146.0], [1454.0308, 146.0], [1323.7988, 146.0], [1305.7882, 49.0], [1243.8325, 195.0], [1225.8219, 98.0], [1144.8004, 49.0], [1017.6392, 98.0], [999.6286, 49.0], [976.6126, 98.0], [916.5915, 49.0], [710.4244, 98.0], [708.4088, 49.0], [690.3982, 49.0], [648.3877, 49.0], [176.9354, 146.0], [158.9248, 146.0], [96.9691, 98.0], [78.9585, 49.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C10:0-NIL-C12:0_(OH)/C12:0_(OH)-NIL]|L2D (LMPTD00000008)", "MOLECULEMASS": "1337.8591", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "245", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1338.8664", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1337.859100", "SPLASH": "splash10-01px-1304009330-ed73cb7cf2b90a80b176"}, "peaks": [[1337.8591, 5594.0], [1319.8485, 1407.0], [1167.7284, 1863.0], [1149.7178, 3182.0], [933.5453, 988.0], [882.498, 5080.0], [864.4874, 367.0], [822.4769, 148.0], [712.3673, 5582.0], [694.3568, 10000.0], [652.3462, 497.0], [634.3356, 2413.0], [522.2104, 852.0], [462.1893, 769.0], [402.1682, 183.0], [96.9691, 556.0], [78.9585, 1082.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C12:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0-NIL]|L2D (LMPTD00000154)", "MOLECULEMASS": "1377.9268", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "246", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1378.9341", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1377.926800", "SPLASH": "splash10-0229-4000215900-ee9c0c43063ed27cd373"}, "peaks": [[1377.9268, 294.0], [1359.9162, 275.0], [1161.7542, 371.0], [961.5766, 535.0], [761.399, 275.0], [740.3986, 4395.0], [722.388, 10000.0], [680.3775, 2043.0], [662.3669, 6728.0], [620.3564, 371.0], [602.3458, 438.0], [522.2104, 2222.0], [462.1893, 3210.0], [402.1682, 940.0], [304.1913, 294.0], [96.9691, 2236.0], [78.9585, 4766.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000125)", "MOLECULEMASS": "1716.2452", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "247", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1717.2525", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1716.245200", "SPLASH": "splash10-00ko-9060302201-bc747752f1924ddfe800"}, "peaks": [[1716.2452, 2794.0], [1488.0363, 3378.0], [1472.0414, 1072.0], [1243.8325, 10000.0], [1202.8059, 886.0], [1035.6498, 4580.0], [1017.6392, 8381.0], [994.6232, 463.0], [976.6126, 1341.0], [916.5915, 408.0], [817.4616, 807.0], [708.4088, 1128.0], [690.3982, 3893.0], [648.3877, 102.0], [630.3771, 111.0], [490.2206, 775.0], [448.21, 162.0], [430.1995, 176.0], [350.2331, 144.0], [96.9691, 677.0], [78.9585, 1457.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C11:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-NIL]|L2D (LMPTD00000029)", "MOLECULEMASS": "1379.906", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "248", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1380.9133", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1379.906000", "SPLASH": "splash10-00fr-0105001902-548981569dc49ffa1582"}, "peaks": [[1379.906, 7495.0], [1361.8955, 1659.0], [1195.7597, 844.0], [1177.7491, 1591.0], [961.5766, 833.0], [924.545, 3207.0], [906.5344, 348.0], [740.3986, 5351.0], [722.388, 10000.0], [680.3775, 472.0], [662.3669, 1529.0], [602.3458, 267.0], [522.2104, 1318.0], [462.1893, 1374.0], [402.1682, 317.0], [96.9691, 360.0], [78.9585, 876.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C10:0_(OH)-C12:0_(OH)-C14:0_(OH)/C12:0-P]|L2D (LMPTD00000218)", "MOLECULEMASS": "1882.2483", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "249", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1883.2556", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1882.248300", "SPLASH": "splash10-0a6r-4901113020-c27d74cb11fe850e1093"}, "peaks": [[1882.2483, 2979.0], [1864.2378, 404.0], [1784.2714, 690.0], [1682.0707, 906.0], [1666.0758, 1770.0], [1648.0652, 513.0], [1586.1095, 348.0], [1584.0938, 799.0], [1568.0989, 679.0], [1465.8982, 833.0], [1447.8876, 645.0], [1385.9318, 1355.0], [1367.9213, 869.0], [1187.7699, 741.0], [1169.7593, 1226.0], [1167.7436, 634.0], [987.5922, 589.0], [969.5817, 718.0], [696.3724, 261.0], [678.3618, 976.0], [648.3877, 339.0], [636.3513, 236.0], [630.3771, 213.0], [448.21, 269.0], [176.9354, 1632.0], [158.9248, 10000.0], [96.9691, 2222.0], [78.9585, 4727.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000221)", "MOLECULEMASS": "1279.8536", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "250", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1280.8609", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1279.853600", "SPLASH": "splash10-000i-9030000201-98151eae774df3b55132"}, "peaks": [[1279.8536, 4452.0], [1261.843, 412.0], [1035.6498, 10000.0], [994.6232, 1404.0], [976.6126, 204.0], [835.4721, 617.0], [708.4088, 3168.0], [666.3982, 412.0], [550.2417, 204.0], [508.2312, 412.0], [448.21, 412.0], [96.9691, 617.0], [78.9585, 617.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000153)", "MOLECULEMASS": "1796.2116", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "251", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1797.2189", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1796.211600", "SPLASH": "splash10-0a6r-4910211101-d2da54854602c1de184d"}, "peaks": [[1796.2116, 1723.0], [1778.201, 472.0], [1698.2347, 336.0], [1568.0026, 310.0], [1552.0077, 928.0], [1533.9972, 539.0], [1472.0414, 162.0], [1470.0257, 364.0], [1454.0308, 578.0], [1323.7988, 484.0], [1305.7882, 336.0], [1243.8325, 727.0], [1225.8219, 983.0], [1017.6392, 1184.0], [999.6286, 1063.0], [916.5915, 390.0], [856.5704, 162.0], [799.451, 269.0], [708.4088, 215.0], [690.3982, 1198.0], [648.3877, 215.0], [630.3771, 162.0], [490.2206, 1063.0], [466.2206, 418.0], [448.21, 215.0], [430.1995, 430.0], [176.9354, 2462.0], [158.9248, 10000.0], [96.9691, 1211.0], [78.9585, 3688.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0_(OH)-C12:0_(OH)-C14:0_(OH)/C12:0-NIL]|L2D (LMPTD00000133)", "MOLECULEMASS": "1830.3133", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "252", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1831.3206", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1830.313300", "SPLASH": "splash10-03yi-2070904332-ea7f3a9b4e8b2833feaa"}, "peaks": [[1830.3133, 4746.0], [1630.1357, 4629.0], [1614.1408, 1943.0], [1413.9631, 10000.0], [1233.8117, 3736.0], [1215.8012, 6188.0], [1162.7382, 1244.0], [1015.6235, 1789.0], [982.5868, 934.0], [964.5762, 1986.0], [904.5551, 625.0], [799.451, 934.0], [748.4037, 934.0], [724.4037, 1244.0], [706.3931, 1751.0], [490.2206, 2376.0], [430.1995, 310.0], [96.9691, 310.0], [78.9585, 1244.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl-aminoarabinose  di-glucosamine [PAra4N-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0-NIL]|L2D (LMPTD00000176)", "MOLECULEMASS": "1480.9537", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "253", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1481.961", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1480.953700", "SPLASH": "splash10-03di-3090403300-9b9e194c3eca0a5e36d0"}, "peaks": [[1480.9537, 3381.0], [1462.9431, 498.0], [1161.7542, 498.0], [1041.5875, 1680.0], [981.5664, 498.0], [961.5766, 249.0], [751.4146, 249.0], [740.3986, 996.0], [722.388, 4171.0], [680.3775, 996.0], [662.3669, 3942.0], [522.2104, 996.0], [462.1893, 1660.0], [228.0273, 2448.0], [210.0167, 10000.0], [96.9691, 747.0], [78.9585, 2013.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000125)", "MOLECULEMASS": "1716.2452", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "254", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1717.2525", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1716.245200", "SPLASH": "splash10-0006-9010305101-0e06faa24ecb35c6475e"}, "peaks": [[1488.0363, 490.0], [1472.0414, 245.0], [1243.8325, 3309.0], [1202.8059, 490.0], [1035.6498, 4295.0], [1017.6392, 6744.0], [994.6232, 735.0], [976.6126, 1595.0], [916.5915, 490.0], [856.5704, 245.0], [817.4616, 1410.0], [708.4088, 2575.0], [690.3982, 10000.0], [648.3877, 490.0], [630.3771, 490.0], [532.2312, 490.0], [490.2206, 6254.0], [430.1995, 735.0], [96.9691, 3865.0], [78.9585, 4229.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/NIL-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000118)", "MOLECULEMASS": "1506.0469", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "255", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1507.0542", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1506.046900", "SPLASH": "splash10-00mo-9020204101-29bf36ed37fe2dfe22c3"}, "peaks": [[1506.0469, 1966.0], [1488.0363, 184.0], [1261.843, 5885.0], [1220.8165, 327.0], [1035.6498, 5505.0], [1017.6392, 8812.0], [994.6232, 1003.0], [976.6126, 2464.0], [934.6021, 214.0], [817.4616, 986.0], [776.435, 279.0], [708.4088, 3765.0], [690.3982, 10000.0], [666.3982, 125.0], [648.3877, 487.0], [630.3771, 344.0], [532.2312, 166.0], [490.2206, 4394.0], [448.21, 433.0], [430.1995, 1318.0], [350.2331, 178.0], [96.9691, 3414.0], [78.9585, 6550.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl-aminoarabinose  di-glucosamine [PAra4N-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/C16:0-NIL]|L2D (LMPTD00000171)", "MOLECULEMASS": "2113.5644", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "256", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2114.5717", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2113.564400", "SPLASH": "splash10-03di-1950001130-4432b03d737dce1b2005"}, "peaks": [[2113.5644, 10000.0], [1982.5062, 188.0], [1885.3555, 1780.0], [1869.3606, 2094.0], [1641.1517, 1907.0], [1590.1044, 188.0], [1510.0934, 188.0], [1361.8955, 188.0], [1301.9107, 188.0], [1283.9002, 780.0], [1075.681, 281.0], [1027.6599, 468.0], [1022.6545, 188.0], [1004.6439, 593.0], [807.4772, 188.0], [718.4295, 1687.0], [490.2206, 281.0], [228.0273, 593.0], [210.0167, 4250.0], [96.9691, 188.0], [78.9585, 468.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl-aminoarabinose C1-mono-phosphoryl-aminoarabinose di-glucosamine [PAra4N-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-PAra4N]|L2D (LMPTD00000214)", "MOLECULEMASS": "2086.3594", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "257", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2087.3667", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2086.359400", "SPLASH": "splash10-00di-2121250294-934d16cbc251ef006a6a"}, "peaks": [[2086.3594, 769.0], [1955.3011, 3910.0], [1937.2906, 769.0], [1824.2429, 10000.0], [1744.2765, 1537.0], [1726.266, 1537.0], [1596.0339, 1537.0], [1580.039, 3461.0], [1562.0285, 769.0], [1516.0676, 387.0], [1500.0727, 387.0], [1498.057, 769.0], [1482.0621, 1155.0], [1441.0356, 387.0], [1351.8301, 1155.0], [1333.8195, 387.0], [1271.8638, 1155.0], [1253.8532, 1155.0], [1045.6705, 769.0], [1027.6599, 387.0], [944.6228, 769.0], [490.2206, 387.0], [210.0167, 387.0], [176.9354, 387.0], [158.9248, 769.0], [96.9691, 387.0], [78.9585, 387.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl-aminoarabinose di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-PAra4N]|L2D (LMPTD00000141)", "MOLECULEMASS": "1927.2698", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "258", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1928.2771", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1927.269800", "SPLASH": "splash10-0002-0010120900-12f52d87406264cbbeda"}, "peaks": [[1927.2698, 175.0], [1909.2592, 250.0], [1796.2116, 10000.0], [1778.201, 193.0], [1716.2452, 242.0], [1698.2347, 557.0], [1568.0026, 663.0], [1552.0077, 2266.0], [1533.9972, 191.0], [1488.0363, 100.0], [1472.0414, 238.0], [1470.0257, 639.0], [1454.0308, 509.0], [1323.7988, 368.0], [1305.7882, 47.0], [1243.8325, 647.0], [1225.8219, 463.0], [1017.6392, 209.0], [999.6286, 236.0], [916.5915, 79.0], [710.4244, 108.0], [690.3982, 69.0], [648.3877, 73.0], [490.2206, 49.0], [466.2206, 59.0], [448.21, 49.0], [210.0167, 124.0], [176.9354, 295.0], [158.9248, 462.0], [96.9691, 92.0], [78.9585, 216.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-C10:0_(OH)-C12:0_(OH)/C12:0_(OH)-P]|L2D (LMPTD00000206)", "MOLECULEMASS": "1615.9874", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "259", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1616.9947", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1615.987400", "SPLASH": "splash10-00or-3903328002-3a907c23a91e5f810fb5"}, "peaks": [[1615.9874, 10000.0], [1597.9768, 842.0], [1536.021, 842.0], [1518.0105, 2950.0], [1427.8461, 4542.0], [1409.8356, 842.0], [1347.8798, 2297.0], [1329.8692, 3585.0], [1159.7386, 1403.0], [1141.728, 842.0], [1113.6967, 2743.0], [943.566, 2228.0], [925.5554, 1546.0], [910.5293, 842.0], [892.5187, 842.0], [850.5082, 842.0], [772.4765, 561.0], [680.3775, 1123.0], [662.3669, 2342.0], [620.3564, 842.0], [176.9354, 2457.0], [158.9248, 7823.0], [96.9691, 1614.0], [78.9585, 5109.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000215)", "MOLECULEMASS": "1824.2429", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "260", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1825.2502", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1824.242900", "SPLASH": "splash10-0fi0-9532540430-0e50edaab16b7a5a88a4"}, "peaks": [[1824.2429, 8564.0], [1806.2323, 1558.0], [1726.266, 3117.0], [1596.0339, 3117.0], [1580.039, 6233.0], [1562.0285, 1558.0], [1516.0676, 1558.0], [1500.0727, 3117.0], [1498.057, 4675.0], [1482.0621, 3117.0], [1351.8301, 6233.0], [1333.8195, 3117.0], [1271.8638, 6233.0], [1253.8532, 6233.0], [1045.6705, 7791.0], [1027.6599, 6233.0], [1004.6439, 3117.0], [944.6228, 3117.0], [799.451, 1558.0], [736.4401, 3117.0], [718.4295, 6233.0], [710.4244, 1558.0], [658.4084, 1558.0], [490.2206, 3117.0], [448.21, 3117.0], [412.1889, 3117.0], [176.9354, 7791.0], [158.9248, 10000.0], [96.9691, 4675.0], [78.9585, 7791.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl-aminoarabinose C1-mono-phosphoryl-aminoarabinose di-glucosamine [PAra4N-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0_(OH)-C14:0_(OH)-C14:0_(OH)/NIL-PAra4N]|L2D (LMPTD00000059)", "MOLECULEMASS": "2102.3543", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "261", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2103.3616", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2102.354300", "SPLASH": "splash10-0006-4430151391-949ea7f3d955ea6cca36"}, "peaks": [[1971.296, 1035.0], [1953.2855, 775.0], [1840.2378, 10000.0], [1822.2272, 969.0], [1760.2714, 1005.0], [1742.2609, 1230.0], [1612.0288, 1100.0], [1596.0339, 2815.0], [1578.0234, 585.0], [1532.0625, 390.0], [1516.0676, 969.0], [1514.052, 1750.0], [1498.057, 1230.0], [1367.825, 969.0], [1287.8587, 1810.0], [1269.8481, 1875.0], [1188.8266, 390.0], [1061.6654, 1425.0], [1043.6548, 1195.0], [1020.6388, 390.0], [960.6177, 390.0], [799.451, 775.0], [752.435, 390.0], [734.4244, 585.0], [710.4244, 390.0], [692.4139, 585.0], [466.2206, 585.0], [210.0167, 775.0], [176.9354, 1585.0], [158.9248, 3465.0], [96.9691, 585.0], [78.9585, 1620.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:1/NIL-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000087)", "MOLECULEMASS": "1568.0026", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "262", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1569.0099", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1568.002600", "SPLASH": "splash10-05r0-5943342002-e8123b67d4548aff4544"}, "peaks": [[1568.0026, 6184.0], [1549.9921, 1318.0], [1470.0257, 2030.0], [1323.7988, 3461.0], [1305.7882, 1650.0], [1243.8325, 3161.0], [1225.8219, 3354.0], [1202.8059, 332.0], [1184.7954, 332.0], [1017.6392, 1843.0], [999.6286, 1951.0], [916.5915, 1650.0], [898.5809, 659.0], [799.451, 659.0], [710.4244, 659.0], [690.3982, 2004.0], [648.3877, 659.0], [630.3771, 659.0], [490.2206, 991.0], [466.2206, 659.0], [448.21, 659.0], [430.1995, 659.0], [412.1889, 659.0], [176.9354, 3654.0], [158.9248, 10000.0], [96.9691, 2283.0], [78.9585, 4040.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/NIL-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000110)", "MOLECULEMASS": "1614.0445", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "263", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1615.0518", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1614.044500", "SPLASH": "splash10-03xr-3354039100-1103455297f110a81b3c"}, "peaks": [[1614.0445, 10000.0], [1596.0339, 707.0], [1534.0782, 169.0], [1516.0676, 2630.0], [1369.8407, 4631.0], [1351.8301, 831.0], [1289.8743, 1557.0], [1271.8638, 4891.0], [1230.8372, 281.0], [1045.6705, 1209.0], [1027.6599, 910.0], [1004.6439, 175.0], [962.6334, 438.0], [944.6228, 209.0], [799.451, 202.0], [736.4401, 248.0], [718.4295, 523.0], [710.4244, 281.0], [676.419, 287.0], [466.2206, 215.0], [448.21, 209.0], [176.9354, 1741.0], [158.9248, 1935.0], [96.9691, 574.0], [78.9585, 680.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C10:0-NIL]|L2D (LMPTD00000076)", "MOLECULEMASS": "1321.8642", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "264", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1322.8715", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1321.864200", "SPLASH": "splash10-00di-1307002901-11c5ffd2ba3af3ffaf5c"}, "peaks": [[1321.8642, 10000.0], [1303.8536, 1526.0], [1151.7335, 1801.0], [1133.7229, 3554.0], [961.5766, 204.0], [910.5293, 2057.0], [892.5187, 186.0], [850.5082, 74.0], [740.3986, 4188.0], [722.388, 8995.0], [680.3775, 684.0], [662.3669, 2578.0], [602.3458, 74.0], [522.2104, 838.0], [462.1893, 898.0], [402.1682, 181.0], [96.9691, 763.0], [78.9585, 1256.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C12:0-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000131)", "MOLECULEMASS": "1462.0207", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "265", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1463.028", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1462.020700", "SPLASH": "splash10-0udl-3010213901-322adbee6643f7caeec1"}, "peaks": [[1462.0207, 432.0], [1261.843, 2669.0], [1053.6603, 559.0], [1035.6498, 1521.0], [976.6126, 2228.0], [916.5915, 373.0], [835.4721, 137.0], [768.4299, 4431.0], [750.4194, 10000.0], [708.4088, 1197.0], [690.3982, 6286.0], [666.3982, 137.0], [648.3877, 206.0], [630.3771, 270.0], [550.2417, 2159.0], [490.2206, 3876.0], [448.21, 137.0], [430.1995, 628.0], [96.9691, 731.0], [78.9585, 3042.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/NIL-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000186)", "MOLECULEMASS": "1534.0782", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "266", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1535.0855", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1534.078200", "SPLASH": "splash10-0bvr-9001070170-a0222c955e0b5a032ce4"}, "peaks": [[1534.0782, 530.0], [1305.8692, 2697.0], [1289.8743, 422.0], [1061.6654, 6904.0], [1020.6388, 1283.0], [853.4827, 4681.0], [835.4721, 7925.0], [812.4561, 690.0], [794.4456, 2132.0], [734.4244, 1112.0], [550.2417, 319.0], [526.2417, 3107.0], [508.2312, 10000.0], [484.2312, 422.0], [466.2206, 530.0], [448.21, 422.0], [350.2331, 211.0], [96.9691, 3529.0], [78.9585, 4036.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C13:0_(OH)/C15:0-C14:0_(OH)/C14:0-C13:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000143)", "MOLECULEMASS": "1730.2609", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "267", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1731.2682", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1730.260900", "SPLASH": "splash10-0694-9030300600-eed05e24ed6aa3da1406"}, "peaks": [[1730.2609, 140.0], [1257.8481, 7033.0], [1063.681, 2788.0], [1045.6705, 4097.0], [1008.6388, 569.0], [990.6283, 1589.0], [930.6072, 421.0], [817.4616, 880.0], [736.4401, 3217.0], [718.4295, 10000.0], [676.419, 569.0], [490.2206, 7773.0], [430.1995, 709.0], [96.9691, 3427.0], [78.9585, 8941.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-NIL/NIL-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-P]|L2D (LMPTD00000147)", "MOLECULEMASS": "1133.6266", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "268", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1134.6339", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1133.626600", "SPLASH": "splash10-001i-2900000000-43ae45fc1382071cc402"}, "peaks": [[1133.6266, 10000.0], [1115.6161, 787.0], [1053.6603, 134.0], [1035.6498, 2540.0], [835.4721, 539.0], [750.4194, 539.0], [708.4088, 405.0], [690.3982, 405.0], [666.3982, 270.0], [648.3877, 134.0], [630.3771, 134.0], [568.2523, 405.0], [508.2312, 270.0], [484.2312, 405.0], [448.21, 134.0], [350.2331, 134.0], [176.9354, 674.0], [158.9248, 3304.0], [96.9691, 899.0], [78.9585, 1303.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0_(OH)-C12:0_(OH)-C14:0_(OH)/C12:0-NIL]|L2D (LMPTD00000133)", "MOLECULEMASS": "1830.3133", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "269", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1831.3206", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1830.313300", "SPLASH": "splash10-03yi-2060905412-0c4baafee143e3b17adb"}, "peaks": [[1830.3133, 2124.0], [1630.1357, 5000.0], [1614.1408, 1703.0], [1413.9631, 10000.0], [1233.8117, 2869.0], [1215.8012, 5479.0], [1162.7382, 848.0], [1015.6235, 1703.0], [982.5868, 1276.0], [964.5762, 1703.0], [904.5551, 426.0], [799.451, 848.0], [748.4037, 848.0], [724.4037, 1703.0], [706.3931, 2390.0], [664.3826, 426.0], [490.2206, 1703.0], [430.1995, 426.0], [350.2331, 426.0], [96.9691, 848.0], [78.9585, 848.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-pyrophosphoryl-ethanolamine C1-mono-pyrophosphoryl-ethanolamine di-glucosamine [PPEtN-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0_(OH)-C12:0_(OH)-C14:0_(OH)/NIL-PPEtN]|L2D (LMPTD00000117)", "MOLECULEMASS": "1974.1296", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "270", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1975.1369", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1974.129600", "SPLASH": "splash10-0kxr-7390310200-6947b85a8bf15db0af86"}, "peaks": [[1753.1442, 2170.0], [1710.102, 897.0], [1692.0914, 1161.0], [1612.1251, 525.0], [1552.9666, 1457.0], [1536.9717, 1258.0], [1493.9295, 662.0], [1491.9138, 866.0], [1429.9581, 1014.0], [1413.9631, 739.0], [1411.9475, 886.0], [1395.9526, 504.0], [1336.794, 662.0], [1231.7961, 3383.0], [1227.7413, 1773.0], [1213.7855, 1253.0], [1195.775, 1253.0], [1033.6341, 800.0], [1027.5636, 1212.0], [1015.6235, 2109.0], [904.5551, 672.0], [886.5446, 968.0], [805.4017, 642.0], [799.451, 540.0], [724.4037, 494.0], [706.3931, 1961.0], [664.3826, 453.0], [490.2206, 1161.0], [466.2206, 601.0], [430.1995, 1528.0], [219.9776, 4121.0], [201.967, 8823.0], [176.9354, 1274.0], [158.9248, 3943.0], [140.0113, 158.0], [96.9691, 1467.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0_(OH)-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000080)", "MOLECULEMASS": "1760.2715", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "271", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1761.2788", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1760.271500", "SPLASH": "splash10-01s6-9020500410-e10f5f63cbde2ca7b6e9"}, "peaks": [[1760.2715, 162.0], [1532.0625, 966.0], [1516.0676, 214.0], [1287.8587, 5013.0], [1246.8321, 266.0], [1079.676, 2919.0], [1061.6654, 6277.0], [1038.6494, 350.0], [1020.6388, 1452.0], [960.6177, 401.0], [817.4616, 3065.0], [776.435, 803.0], [752.435, 1614.0], [734.4244, 6261.0], [532.2312, 162.0], [490.2206, 10000.0], [448.21, 266.0], [430.1995, 1170.0], [96.9691, 2407.0], [78.9585, 4167.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl-aminoarabinose C1-mono-phosphoryl di-glucosamine [PAra4N-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-P]|L2D (LMPTD00000090)", "MOLECULEMASS": "1576.9149", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "272", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1577.9222", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1576.914900", "SPLASH": "splash10-0a6r-6900101201-d5c93d094f81966c9e97"}, "peaks": [[1427.8461, 69.0], [1347.8798, 140.0], [1177.7491, 546.0], [1159.7386, 1408.0], [943.566, 2272.0], [892.5187, 339.0], [850.5082, 71.0], [832.4976, 211.0], [743.3884, 1623.0], [740.3986, 784.0], [722.388, 2321.0], [680.3775, 612.0], [662.3669, 2417.0], [522.2104, 461.0], [462.1893, 958.0], [420.1787, 241.0], [402.1682, 748.0], [384.1576, 158.0], [228.0273, 56.0], [210.0167, 984.0], [176.9354, 2277.0], [158.9248, 10000.0], [96.9691, 3176.0], [78.9585, 7276.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/C16:0-NIL]|L2D (LMPTD00000075)", "MOLECULEMASS": "1954.4749", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "273", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1955.4822", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1954.474900", "SPLASH": "splash10-003r-0060900502-c0e7e530877da8d87eb9"}, "peaks": [[1954.4749, 933.0], [1726.266, 5220.0], [1710.2711, 783.0], [1482.0621, 10000.0], [1273.8794, 3142.0], [1255.8688, 3969.0], [1202.8059, 921.0], [999.6286, 944.0], [994.6232, 260.0], [976.6126, 752.0], [916.5915, 287.0], [799.451, 79.0], [708.4088, 425.0], [690.3982, 869.0], [648.3877, 67.0], [630.3771, 71.0], [490.2206, 248.0], [430.1995, 113.0], [332.2226, 67.0], [96.9691, 200.0], [78.9585, 339.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/C16:0-P]|L2D (LMPTD00000195)", "MOLECULEMASS": "2062.4725", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "274", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2063.4798", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2062.472500", "SPLASH": "splash10-08fr-9720120351-937ed17496d4f2195f39"}, "peaks": [[2062.4725, 9310.0], [2044.462, 690.0], [1964.4956, 1151.0], [1834.2636, 2414.0], [1818.2687, 5056.0], [1800.2581, 918.0], [1738.3024, 461.0], [1736.2867, 1151.0], [1720.2918, 1151.0], [1590.0598, 1435.0], [1572.0492, 690.0], [1510.0934, 2586.0], [1492.0829, 1151.0], [1283.9002, 1151.0], [1265.8896, 690.0], [1235.8426, 2125.0], [1112.8106, 461.0], [1027.6599, 1953.0], [1009.6494, 461.0], [944.6228, 461.0], [884.6017, 461.0], [781.4404, 461.0], [736.4401, 461.0], [718.4295, 918.0], [704.4503, 461.0], [430.1995, 690.0], [412.1889, 690.0], [176.9354, 1151.0], [158.9248, 10000.0], [96.9691, 690.0], [78.9585, 1151.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-NIL/NIL-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000120)", "MOLECULEMASS": "1359.8199", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "275", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1360.8272", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1359.819900", "SPLASH": "splash10-0a4i-0009000000-ff3cd147026359864957"}, "peaks": [[1359.8199, 10000.0], [1341.8094, 71.0], [1279.8536, 39.0], [1261.843, 236.0], [1115.6161, 441.0], [1097.6055, 74.0], [1035.6498, 196.0], [1017.6392, 349.0], [994.6232, 26.0], [976.6126, 39.0], [817.4616, 65.0], [710.4244, 52.0], [708.4088, 91.0], [690.3982, 52.0], [630.3771, 26.0], [448.21, 39.0], [176.9354, 167.0], [158.9248, 165.0], [96.9691, 52.0], [78.9585, 100.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C12:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000124)", "MOLECULEMASS": "1768.1803", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "276", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1769.1876", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1768.180300", "SPLASH": "splash10-0a6r-5910211200-db50811ecbf7558e9427"}, "peaks": [[1768.1803, 1717.0], [1750.1697, 326.0], [1670.2034, 299.0], [1568.0026, 326.0], [1523.9764, 1340.0], [1505.9659, 312.0], [1488.0363, 156.0], [1470.0257, 573.0], [1444.0101, 208.0], [1425.9995, 624.0], [1323.7988, 819.0], [1305.7882, 312.0], [1243.8325, 1053.0], [1225.8219, 1039.0], [1017.6392, 872.0], [999.6286, 819.0], [916.5915, 208.0], [856.5704, 156.0], [799.451, 390.0], [708.4088, 312.0], [690.3982, 897.0], [648.3877, 299.0], [490.2206, 326.0], [466.2206, 350.0], [448.21, 651.0], [430.1995, 364.0], [412.1889, 208.0], [176.9354, 2288.0], [158.9248, 10000.0], [96.9691, 2302.0], [78.9585, 3836.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000194)", "MOLECULEMASS": "1744.2765", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "277", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1745.2838", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1744.276500", "SPLASH": "splash10-0v4m-9050180500-7e8167ca003a43707d2c"}, "peaks": [[1744.2765, 4497.0], [1726.266, 371.0], [1516.0676, 5503.0], [1500.0727, 9824.0], [1271.8638, 10000.0], [1230.8372, 733.0], [1063.681, 3763.0], [1045.6705, 6695.0], [1022.6545, 1105.0], [1004.6439, 2023.0], [817.4616, 1105.0], [776.435, 733.0], [736.4401, 1838.0], [718.4295, 2023.0], [676.419, 733.0], [658.4084, 733.0], [490.2206, 1838.0], [430.1995, 733.0], [96.9691, 1838.0], [78.9585, 733.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/C16:0-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-NIL]|L2D (LMPTD00000039)", "MOLECULEMASS": "1604.12", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "278", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1605.1273", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1604.120000", "SPLASH": "splash10-022c-2101104920-874130c73dc4cb9f6f65"}, "peaks": [[1604.12, 1177.0], [1347.8798, 3279.0], [1195.7597, 799.0], [1177.7491, 1341.0], [1148.759, 525.0], [961.5766, 936.0], [892.5187, 4598.0], [832.4976, 629.0], [761.399, 208.0], [740.3986, 5594.0], [722.388, 10000.0], [680.3775, 1193.0], [662.3669, 5331.0], [602.3458, 421.0], [522.2104, 1467.0], [462.1893, 2042.0], [402.1682, 525.0], [96.9691, 1533.0], [78.9585, 2945.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0_(OH)-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000231)", "MOLECULEMASS": "1449.9843", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "279", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1450.9916", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1449.984300", "SPLASH": "splash10-014i-2000110901-3383762e8af3f2bc26d2"}, "peaks": [[1449.9843, 42.0], [1249.8066, 274.0], [1069.6552, 216.0], [1051.6447, 729.0], [964.5762, 2056.0], [904.5551, 270.0], [835.4721, 340.0], [784.4248, 3627.0], [766.4143, 10000.0], [724.4037, 1867.0], [706.3931, 4082.0], [682.3931, 66.0], [664.3826, 81.0], [646.372, 143.0], [550.2417, 3290.0], [490.2206, 3353.0], [448.21, 158.0], [430.1995, 355.0], [332.2226, 96.0], [96.9691, 1393.0], [78.9585, 3850.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/C16:0-NIL]|L2D (LMPTD00000227)", "MOLECULEMASS": "1291.89", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "280", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1292.8973", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1291.890000", "SPLASH": "splash10-016r-7000010900-04bd7dbaff23d754e570"}, "peaks": [[1291.89, 693.0], [1273.8794, 635.0], [1035.6498, 159.0], [835.4721, 79.0], [768.4299, 10000.0], [750.4194, 159.0], [708.4088, 3840.0], [690.3982, 238.0], [666.3982, 159.0], [648.3877, 238.0], [630.3771, 79.0], [568.2523, 1356.0], [508.2312, 1603.0], [466.2206, 79.0], [448.21, 317.0], [430.1995, 159.0], [96.9691, 2425.0], [78.9585, 9169.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C13:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000082)", "MOLECULEMASS": "1730.2609", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "281", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1731.2682", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1730.260900", "SPLASH": "splash10-0694-9030300600-1ebd24f2695f9d491eb8"}, "peaks": [[1730.2609, 140.0], [1502.052, 569.0], [1257.8481, 7033.0], [1216.8216, 1410.0], [1063.681, 2788.0], [1045.6705, 4097.0], [1004.6439, 709.0], [930.6072, 421.0], [817.4616, 880.0], [736.4401, 3217.0], [718.4295, 10000.0], [676.419, 569.0], [490.2206, 7773.0], [430.1995, 709.0], [96.9691, 3427.0], [78.9585, 8941.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-pyrophosphoryl-ethanolamine C1-mono-phosphoryl di-glucosamine [PPEtN-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0_(OH)-C12:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000031)", "MOLECULEMASS": "1851.1211", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "282", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1852.1284", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1851.121100", "SPLASH": "splash10-1029-6491420400-311f61f700f5979a4850"}, "peaks": [[1851.1211, 388.0], [1753.1442, 4118.0], [1728.1126, 911.0], [1710.102, 1957.0], [1692.0914, 1512.0], [1612.1251, 833.0], [1554.9822, 1192.0], [1552.9666, 2306.0], [1536.9717, 2442.0], [1511.94, 1308.0], [1493.9295, 3682.0], [1491.9138, 1047.0], [1475.9189, 969.0], [1429.9581, 1676.0], [1413.9631, 1114.0], [1411.9475, 1638.0], [1395.9526, 1512.0], [1336.794, 852.0], [1311.7624, 1153.0], [1293.7518, 2219.0], [1275.7413, 833.0], [1231.7961, 5136.0], [1227.7413, 2568.0], [1213.7855, 3236.0], [1195.775, 1773.0], [1086.7222, 1027.0], [1033.6341, 2665.0], [1027.5636, 1898.0], [1015.6235, 4118.0], [904.5551, 911.0], [886.5446, 2326.0], [799.451, 1134.0], [724.4037, 950.0], [706.3931, 3411.0], [490.2206, 1337.0], [448.21, 1250.0], [430.1995, 2287.0], [219.9776, 3390.0], [201.967, 10000.0], [176.9354, 2548.0], [158.9248, 9089.0], [96.9691, 2287.0], [78.9585, 9031.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C12:0-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000131)", "MOLECULEMASS": "1462.0207", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "283", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1463.028", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1462.020700", "SPLASH": "splash10-0udi-2000001901-575284f0b706e42cde60"}, "peaks": [[1462.0207, 39.0], [1261.843, 635.0], [1053.6603, 448.0], [1035.6498, 1047.0], [976.6126, 2130.0], [916.5915, 204.0], [835.4721, 97.0], [768.4299, 4278.0], [750.4194, 10000.0], [708.4088, 696.0], [690.3982, 2793.0], [648.3877, 100.0], [630.3771, 108.0], [550.2417, 914.0], [490.2206, 1022.0], [430.1995, 287.0], [96.9691, 663.0], [78.9585, 1309.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl-aminoarabinose di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-NIL-C14:0_(OH)/NIL-PAra4N]|L2D (LMPTD00000016)", "MOLECULEMASS": "1729.1078", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "284", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1730.1151", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1729.107800", "SPLASH": "splash10-056s-9721110210-41bb170e6a192d6ff566"}, "peaks": [[1598.0496, 986.0], [1580.039, 1041.0], [1500.0727, 819.0], [1369.8407, 836.0], [1351.8301, 939.0], [1289.8743, 654.0], [1271.8638, 2099.0], [1214.8423, 625.0], [1063.681, 2146.0], [1045.6705, 4811.0], [1004.6439, 637.0], [944.6228, 748.0], [884.6017, 306.0], [817.4616, 1483.0], [796.4612, 671.0], [778.4506, 2210.0], [736.4401, 425.0], [718.4295, 1530.0], [676.419, 637.0], [658.4084, 582.0], [550.2417, 404.0], [490.2206, 514.0], [484.2312, 514.0], [448.21, 569.0], [430.1995, 1050.0], [228.0273, 140.0], [210.0167, 1190.0], [176.9354, 3297.0], [158.9248, 10000.0], [96.9691, 2864.0], [78.9585, 5181.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C14:0_(OH)-NIL]|L2D (LMPTD00000198)", "MOLECULEMASS": "1393.9217", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "285", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1394.929", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1393.921700", "SPLASH": "splash10-0229-2000115900-0ce2681b16c1313c3030"}, "peaks": [[1393.9217, 44.0], [1205.7804, 145.0], [961.5766, 407.0], [910.5293, 131.0], [761.399, 202.0], [740.3986, 5053.0], [722.388, 10000.0], [680.3775, 1599.0], [662.3669, 7073.0], [620.3564, 150.0], [602.3458, 194.0], [522.2104, 2703.0], [462.1893, 2689.0], [420.1787, 121.0], [402.1682, 455.0], [96.9691, 1851.0], [78.9585, 2892.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/NIL-C14:0_(OH)/C10:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000119)", "MOLECULEMASS": "1478.0156", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "286", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1479.0229", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1478.015600", "SPLASH": "splash10-0040-3080901006-6ca91dfa98a36a9b7491"}, "peaks": [[1478.0156, 9397.0], [1460.005, 254.0], [1233.8117, 10000.0], [1192.7852, 637.0], [1007.6184, 3631.0], [989.6079, 6168.0], [966.5919, 429.0], [948.5813, 1035.0], [906.5708, 174.0], [817.4616, 227.0], [680.3775, 564.0], [662.3669, 1630.0], [490.2206, 390.0], [448.21, 70.0], [96.9691, 340.0], [78.9585, 409.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000215)", "MOLECULEMASS": "1824.2429", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "287", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1825.2502", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1824.242900", "SPLASH": "splash10-056r-8911230120-a7ed95624b7a4a29b471"}, "peaks": [[1824.2429, 3502.0], [1806.2323, 309.0], [1726.266, 647.0], [1596.0339, 821.0], [1580.039, 2612.0], [1578.0234, 154.0], [1562.0285, 581.0], [1516.0676, 154.0], [1500.0727, 279.0], [1498.057, 667.0], [1482.0621, 1034.0], [1351.8301, 1286.0], [1333.8195, 463.0], [1271.8638, 1267.0], [1253.8532, 1759.0], [1045.6705, 1392.0], [1027.6599, 1316.0], [944.6228, 289.0], [884.6017, 154.0], [799.451, 328.0], [736.4401, 397.0], [718.4295, 889.0], [676.419, 299.0], [658.4084, 154.0], [490.2206, 551.0], [466.2206, 233.0], [448.21, 309.0], [430.1995, 561.0], [412.1889, 154.0], [350.2331, 154.0], [176.9354, 3636.0], [158.9248, 10000.0], [96.9691, 3161.0], [78.9585, 7552.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/C14:0-NIL]|L2D (LMPTD00000177)", "MOLECULEMASS": "1700.2503", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "288", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1701.2576", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1700.250300", "SPLASH": "splash10-0v00-1010201904-52ecb4bba5f80ade20a7"}, "peaks": [[1700.2503, 1144.0], [1472.0414, 3914.0], [1263.8587, 911.0], [1245.8481, 2573.0], [1186.811, 225.0], [1017.6392, 911.0], [976.6126, 8455.0], [916.5915, 685.0], [817.4616, 225.0], [768.4299, 7427.0], [750.4194, 10000.0], [708.4088, 1144.0], [690.3982, 3258.0], [550.2417, 1144.0], [490.2206, 685.0], [430.1995, 459.0], [96.9691, 911.0], [78.9585, 1626.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C12:0_(OH)/C12:0-C12:0_(OH)-C12:0_(OH)/C12:0-P]|L2D (LMPTD00000042)", "MOLECULEMASS": "1838.2221", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "289", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1839.2294", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1838.222100", "SPLASH": "splash10-0079-0401125190-a04ef4601f7406672fe6"}, "peaks": [[1838.2221, 10000.0], [1820.2116, 723.0], [1758.2558, 221.0], [1740.2452, 1379.0], [1638.0445, 1559.0], [1622.0496, 3682.0], [1620.0339, 221.0], [1604.039, 604.0], [1542.0833, 404.0], [1540.0676, 1702.0], [1524.0727, 1208.0], [1421.872, 1086.0], [1403.8614, 453.0], [1341.9056, 1147.0], [1323.8951, 906.0], [1143.7436, 575.0], [1125.7331, 282.0], [1123.7174, 653.0], [943.566, 343.0], [925.5554, 221.0], [860.5289, 221.0], [836.5289, 212.0], [662.3669, 351.0], [620.3564, 462.0], [602.3458, 311.0], [176.9354, 1025.0], [158.9248, 3319.0], [96.9691, 343.0], [78.9585, 755.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C11:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0-NIL]|L2D (LMPTD00000014)", "MOLECULEMASS": "1363.9111", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "290", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1364.9184", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1363.911100", "SPLASH": "splash10-03t9-6101415900-570f9dd416022e9d83e4"}, "peaks": [[1363.9111, 1016.0], [1345.9005, 1016.0], [1179.7648, 1016.0], [1161.7542, 1016.0], [906.5344, 512.0], [864.5238, 1016.0], [761.399, 512.0], [740.3986, 4065.0], [722.388, 10000.0], [680.3775, 3472.0], [662.3669, 5764.0], [522.2104, 2032.0], [462.1893, 5252.0], [402.1682, 1528.0], [96.9691, 2032.0], [78.9585, 8390.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C10:0-NIL-C12:0_(OH)/C12:0_(OH)-P]|L2D (LMPTD00000159)", "MOLECULEMASS": "1417.8254", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "291", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1418.8327", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1417.825400", "SPLASH": "splash10-05r0-5902302101-92951bfb77859fa1ce40"}, "peaks": [[1417.8254, 5499.0], [1399.8148, 1533.0], [1337.8591, 613.0], [1319.8485, 3040.0], [1149.7178, 2583.0], [1131.7073, 3040.0], [1103.676, 2733.0], [933.5453, 919.0], [915.5347, 2401.0], [864.4874, 1787.0], [743.3884, 1533.0], [712.3673, 1226.0], [694.3568, 2146.0], [652.3462, 919.0], [634.3356, 1663.0], [592.3251, 919.0], [522.2104, 919.0], [462.1893, 919.0], [402.1682, 1533.0], [176.9354, 2811.0], [158.9248, 10000.0], [96.9691, 3372.0], [78.9585, 9896.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-mono-phosphoryl  di-glucosamine [P-NIL/NIL-C14:0_(OH)/C12:0-NIL-C14:1/NIL-NIL]|L2D (LMPTD00000065)", "MOLECULEMASS": "1035.6497", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "292", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1036.657", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1035.649700", "SPLASH": "splash10-0550-9000000200-e2736807d3f07af404a0"}, "peaks": [[1035.6497, 10000.0], [1017.6392, 654.0], [835.4721, 818.0], [708.4088, 6442.0], [666.3982, 326.0], [648.3877, 326.0], [630.3771, 163.0], [508.2312, 1043.0], [466.2206, 163.0], [448.21, 163.0], [430.1995, 163.0], [368.2437, 143.0], [350.2331, 326.0], [96.9691, 1839.0], [78.9585, 6851.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-NIL/NIL-C14:0_(OH)/C10:0-NIL-C14:0_(OH)/NIL-P]|L2D (LMPTD00000091)", "MOLECULEMASS": "1105.5953", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "293", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1106.6026", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1105.595300", "SPLASH": "splash10-0a4i-6900001000-7c46cbee2a63cd4aa8fa"}, "peaks": [[1105.5953, 5177.0], [1087.5848, 1388.0], [1025.629, 130.0], [1007.6184, 4321.0], [835.4721, 422.0], [740.3986, 544.0], [722.388, 1148.0], [680.3775, 688.0], [662.3669, 969.0], [638.3669, 122.0], [620.3564, 204.0], [602.3458, 154.0], [568.2523, 160.0], [508.2312, 142.0], [484.2312, 229.0], [448.21, 262.0], [350.2331, 162.0], [176.9354, 1584.0], [158.9248, 10000.0], [96.9691, 1798.0], [78.9585, 4563.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0_(OH)-C12:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000019)", "MOLECULEMASS": "1728.1126", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "294", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1729.1199", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1728.112600", "SPLASH": "splash10-004i-4520331900-eb9706082a94c592230a"}, "peaks": [[1728.1126, 10000.0], [1710.102, 303.0], [1648.1462, 167.0], [1630.1357, 791.0], [1527.935, 823.0], [1511.94, 3301.0], [1493.9295, 562.0], [1431.9737, 480.0], [1429.9581, 977.0], [1413.9631, 1353.0], [1311.7624, 982.0], [1293.7518, 217.0], [1231.7961, 1355.0], [1213.7855, 1530.0], [1033.6341, 1113.0], [1015.6235, 1470.0], [904.5551, 366.0], [799.451, 480.0], [724.4037, 227.0], [706.3931, 389.0], [682.3931, 290.0], [664.3826, 183.0], [646.372, 125.0], [490.2206, 355.0], [466.2206, 185.0], [448.21, 350.0], [430.1995, 347.0], [412.1889, 193.0], [176.9354, 2128.0], [158.9248, 5252.0], [96.9691, 1133.0], [78.9585, 2332.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000194)", "MOLECULEMASS": "1744.2765", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "295", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1745.2838", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1744.276500", "SPLASH": "splash10-00kb-9010100400-1b37be0956fc022f0da2"}, "peaks": [[1744.2765, 52.0], [1516.0676, 670.0], [1500.0727, 162.0], [1271.8638, 4574.0], [1230.8372, 764.0], [1063.681, 3768.0], [1045.6705, 8153.0], [1022.6545, 1350.0], [1004.6439, 2282.0], [944.6228, 628.0], [817.4616, 1256.0], [776.435, 602.0], [736.4401, 2266.0], [718.4295, 10000.0], [676.419, 220.0], [658.4084, 466.0], [532.2312, 162.0], [490.2206, 3443.0], [430.1995, 1136.0], [350.2331, 220.0], [96.9691, 4029.0], [78.9585, 5395.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000194)", "MOLECULEMASS": "1744.2765", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "296", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1745.2838", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1744.276500", "SPLASH": "splash10-00mn-9020300500-d71bba417c1c811d38aa"}, "peaks": [[1744.2765, 168.0], [1516.0676, 1324.0], [1500.0727, 81.0], [1271.8638, 5116.0], [1230.8372, 633.0], [1063.681, 3304.0], [1045.6705, 9175.0], [1022.6545, 482.0], [1004.6439, 2317.0], [944.6228, 337.0], [817.4616, 1307.0], [776.435, 250.0], [736.4401, 3872.0], [718.4295, 10000.0], [676.419, 610.0], [658.4084, 337.0], [490.2206, 7201.0], [448.21, 250.0], [430.1995, 1388.0], [350.2331, 168.0], [332.2226, 168.0], [96.9691, 2253.0], [78.9585, 7242.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C10:0_(OH)-NIL-C12:0_(OH)/C12:0_(OH)-NIL]|L2D (LMPTD00000165)", "MOLECULEMASS": "1353.854", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "297", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1354.8613", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1353.854000", "SPLASH": "splash10-0udi-0209010520-df103f70d0abe742f713"}, "peaks": [[1353.854, 10000.0], [1335.8434, 1286.0], [1183.7233, 1185.0], [1165.7127, 2437.0], [949.5402, 700.0], [898.4929, 2712.0], [880.4824, 256.0], [838.4718, 71.0], [761.399, 71.0], [728.3622, 2456.0], [710.3517, 4893.0], [668.3411, 241.0], [650.3305, 873.0], [522.2104, 1373.0], [462.1893, 902.0], [402.1682, 139.0], [96.9691, 405.0], [78.9585, 534.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0_(OH)-NIL-C14:0_(OH)/C12:0-NIL]|L2D (LMPTD00000040)", "MOLECULEMASS": "1632.1513", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "298", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1633.1586", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1632.151300", "SPLASH": "splash10-02ai-2010510904-c51103f1893e8048c291"}, "peaks": [[1632.1513, 1534.0], [1431.9737, 5417.0], [1251.8223, 1144.0], [1233.8117, 2103.0], [1164.7539, 210.0], [1033.6341, 413.0], [964.5762, 8281.0], [904.5551, 433.0], [817.4616, 278.0], [784.4248, 4910.0], [766.4143, 10000.0], [724.4037, 1231.0], [706.3931, 3154.0], [664.3826, 136.0], [550.2417, 4236.0], [490.2206, 5164.0], [430.1995, 371.0], [96.9691, 1119.0], [78.9585, 3395.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C13:0_(OH)-NIL]|L2D (LMPTD00000053)", "MOLECULEMASS": "1379.906", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "299", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1380.9133", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1379.906000", "SPLASH": "splash10-024l-0105001901-620eb7824953882ae1b0"}, "peaks": [[1379.906, 7495.0], [1361.8955, 1659.0], [1209.7753, 1591.0], [1191.7648, 2474.0], [961.5766, 833.0], [910.5293, 2101.0], [740.3986, 5351.0], [722.388, 10000.0], [680.3775, 472.0], [662.3669, 1529.0], [602.3458, 267.0], [522.2104, 1318.0], [462.1893, 1374.0], [402.1682, 317.0], [96.9691, 360.0], [78.9585, 876.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-C10:0_(OH)-C12:0_(OH)/C12:0-P]|L2D (LMPTD00000223)", "MOLECULEMASS": "1599.9925", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "300", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1600.9998", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1599.992500", "SPLASH": "splash10-08i1-3904242011-5fe55661315e1a1b0d1c"}, "peaks": [[1599.9925, 9340.0], [1581.9819, 1589.0], [1502.0156, 2817.0], [1411.8512, 4497.0], [1393.8407, 1589.0], [1331.8849, 2817.0], [1313.8743, 5771.0], [1143.7436, 4628.0], [1125.7331, 1059.0], [1113.6967, 3876.0], [1062.6494, 1059.0], [943.566, 2118.0], [925.5554, 2118.0], [892.5187, 1059.0], [850.5082, 1059.0], [832.4976, 1059.0], [808.4976, 1059.0], [680.3775, 1589.0], [662.3669, 2118.0], [620.3564, 2118.0], [602.3458, 1059.0], [462.1893, 2118.0], [304.1913, 1059.0], [176.9354, 5372.0], [158.9248, 10000.0], [96.9691, 2118.0], [78.9585, 7268.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C10:0_(OH)/C14:0-NIL-C10:0_(OH)/C12:0-NIL]|L2D (LMPTD00000169)", "MOLECULEMASS": "1321.8642", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "301", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1322.8715", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1321.864200", "SPLASH": "splash10-00di-1307002901-0975c94833172036aaa2"}, "peaks": [[1321.8642, 10000.0], [1303.8536, 1526.0], [1151.7335, 1801.0], [1133.7229, 3554.0], [933.5453, 679.0], [910.5293, 2057.0], [892.5187, 186.0], [850.5082, 74.0], [740.3986, 4188.0], [722.388, 8995.0], [680.3775, 684.0], [662.3669, 2578.0], [602.3458, 74.0], [494.1791, 140.0], [434.158, 209.0], [96.9691, 763.0], [78.9585, 1256.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C13:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000205)", "MOLECULEMASS": "1810.2272", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "302", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1811.2345", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1810.227200", "SPLASH": "splash10-0a6r-7920210320-c00b4dbb797af4fc18f9"}, "peaks": [[1810.2272, 2728.0], [1792.2166, 683.0], [1712.2503, 1362.0], [1582.0183, 683.0], [1566.0234, 1705.0], [1484.0414, 1022.0], [1468.0465, 1022.0], [1337.8144, 1362.0], [1257.8481, 1817.0], [1239.8376, 1705.0], [1031.6548, 1362.0], [1013.6443, 1705.0], [990.6283, 683.0], [930.6072, 683.0], [870.586, 683.0], [799.451, 1022.0], [722.4244, 683.0], [704.4139, 1705.0], [644.3927, 683.0], [490.2206, 1022.0], [466.2206, 1022.0], [176.9354, 3011.0], [158.9248, 10000.0], [96.9691, 2783.0], [78.9585, 4884.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0_(OH)-NIL-C12:0_(OH)/C12:0_(OH)-P]|L2D (LMPTD00000116)", "MOLECULEMASS": "1461.8516", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "303", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1462.8589", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1461.851600", "SPLASH": "splash10-0bvi-3901501202-4a79a2173a8525242da2"}, "peaks": [[1461.8516, 6494.0], [1443.841, 1598.0], [1381.8853, 249.0], [1363.8747, 2907.0], [1193.744, 1296.0], [1175.7335, 1696.0], [1147.7022, 1376.0], [977.5715, 1079.0], [959.5609, 1700.0], [926.5242, 328.0], [908.5136, 1394.0], [866.5031, 306.0], [848.4925, 466.0], [756.3935, 834.0], [743.3884, 1757.0], [738.383, 1638.0], [696.3724, 453.0], [678.3618, 1243.0], [654.3618, 524.0], [636.3513, 519.0], [618.3407, 368.0], [522.2104, 1367.0], [462.1893, 1562.0], [420.1787, 715.0], [402.1682, 573.0], [304.1913, 306.0], [176.9354, 2716.0], [158.9248, 10000.0], [96.9691, 2290.0], [78.9585, 5242.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0-P]|L2D (LMPTD00000077)", "MOLECULEMASS": "1429.8618", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "304", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1430.8691", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1429.861800", "SPLASH": "splash10-056r-4901402211-6262b60684c772edb0cc"}, "peaks": [[1429.8618, 6500.0], [1411.8512, 1031.0], [1349.8955, 240.0], [1331.8849, 2817.0], [1161.7542, 1346.0], [1143.7436, 2817.0], [1131.7073, 982.0], [961.5766, 601.0], [943.566, 1579.0], [892.5187, 1356.0], [850.5082, 289.0], [832.4976, 404.0], [772.4765, 220.0], [743.3884, 869.0], [740.3986, 873.0], [722.388, 2275.0], [680.3775, 505.0], [662.3669, 1976.0], [638.3669, 532.0], [620.3564, 501.0], [602.3458, 591.0], [522.2104, 433.0], [462.1893, 772.0], [420.1787, 391.0], [402.1682, 594.0], [384.1576, 220.0], [304.1913, 325.0], [176.9354, 3207.0], [158.9248, 10000.0], [96.9691, 2764.0], [78.9585, 6976.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000125)", "MOLECULEMASS": "1716.2452", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "305", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1717.2525", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1716.245200", "SPLASH": "splash10-00mo-9010203101-4d3a65e3fccf4aa989f9"}, "peaks": [[1716.2452, 122.0], [1488.0363, 623.0], [1472.0414, 183.0], [1243.8325, 4584.0], [1202.8059, 562.0], [1035.6498, 4260.0], [1017.6392, 10000.0], [994.6232, 789.0], [976.6126, 1834.0], [916.5915, 819.0], [817.4616, 1394.0], [776.435, 244.0], [708.4088, 3533.0], [690.3982, 9859.0], [666.3982, 183.0], [648.3877, 379.0], [630.3771, 244.0], [490.2206, 4114.0], [448.21, 318.0], [430.1995, 1033.0], [96.9691, 4034.0], [78.9585, 9242.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000173)", "MOLECULEMASS": "1518.0833", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "306", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1519.0906", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1518.083300", "SPLASH": "splash10-004i-4010110900-fb0540102acb0a1da7f4"}, "peaks": [[1518.0833, 827.0], [1289.8743, 3274.0], [1081.6916, 1240.0], [1063.681, 1691.0], [1004.6439, 3999.0], [944.6228, 413.0], [835.4721, 209.0], [796.4612, 4654.0], [778.4506, 10000.0], [736.4401, 1342.0], [718.4295, 4965.0], [694.4295, 413.0], [676.419, 209.0], [658.4084, 827.0], [550.2417, 2034.0], [490.2206, 2104.0], [430.1995, 827.0], [96.9691, 1036.0], [78.9585, 3172.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0-NIL]|L2D (LMPTD00000137)", "MOLECULEMASS": "1349.8955", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "307", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1350.9028", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1349.895500", "SPLASH": "splash10-024i-5100214900-6ce31d466d988c59a04c"}, "peaks": [[1349.8955, 736.0], [1331.8849, 171.0], [1179.7648, 752.0], [1161.7542, 1027.0], [961.5766, 545.0], [910.5293, 768.0], [892.5187, 171.0], [850.5082, 114.0], [761.399, 179.0], [740.3986, 4875.0], [722.388, 10000.0], [680.3775, 1663.0], [662.3669, 5384.0], [620.3564, 114.0], [602.3458, 250.0], [522.2104, 2093.0], [462.1893, 3601.0], [420.1787, 147.0], [402.1682, 1082.0], [322.2018, 88.0], [304.1913, 114.0], [96.9691, 2817.0], [78.9585, 6172.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C12:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000211)", "MOLECULEMASS": "1688.2139", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "308", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1689.2212", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1688.213900", "SPLASH": "splash10-00ko-9030505112-292eca7bcd2af39c9243"}, "peaks": [[1688.2139, 3647.0], [1488.0363, 4370.0], [1444.0101, 2881.0], [1243.8325, 6484.0], [1202.8059, 1150.0], [1035.6498, 4995.0], [1017.6392, 10000.0], [994.6232, 1150.0], [976.6126, 2881.0], [916.5915, 1150.0], [817.4616, 3122.0], [708.4088, 3746.0], [690.3982, 6156.0], [648.3877, 1150.0], [490.2206, 4808.0], [350.2331, 1150.0], [96.9691, 1730.0], [78.9585, 2311.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C10:0_(OH)/C16:0-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-P]|L2D (LMPTD00000104)", "MOLECULEMASS": "1684.0864", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "309", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1685.0937", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1684.086400", "SPLASH": "splash10-053r-1500109000-22c9d87158a0f7342974"}, "peaks": [[1684.0864, 10000.0], [1666.0758, 977.0], [1604.12, 175.0], [1586.1095, 1073.0], [1427.8461, 957.0], [1409.8356, 294.0], [1329.8692, 947.0], [1177.7491, 530.0], [1159.7386, 1102.0], [1130.7484, 269.0], [1113.6967, 543.0], [1088.7378, 175.0], [1070.7273, 175.0], [961.5766, 444.0], [943.566, 827.0], [892.5187, 259.0], [832.4976, 339.0], [743.3884, 612.0], [740.3986, 175.0], [722.388, 450.0], [680.3775, 229.0], [662.3669, 637.0], [654.3618, 299.0], [638.3669, 175.0], [620.3564, 219.0], [602.3458, 219.0], [462.1893, 175.0], [402.1682, 219.0], [176.9354, 902.0], [158.9248, 4386.0], [96.9691, 947.0], [78.9585, 1496.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-di-phosphoryl  di-glucosamine [PP-C12:0_(OH)/NIL-C12:0_(OH)/NIL-C12:0_(OH)-C12:0_(OH)/C14:0-NIL]|L2D (LMPTD00000046)", "MOLECULEMASS": "1501.9193", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "310", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1502.9266", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1501.919300", "SPLASH": "splash10-0a6r-3910100000-336ddb0901531a61385b"}, "peaks": [[1501.9193, 546.0], [1483.9087, 261.0], [1403.9424, 690.0], [1285.7468, 1184.0], [1267.7362, 927.0], [1205.7804, 601.0], [1187.7699, 1689.0], [989.6079, 677.0], [971.5973, 575.0], [936.545, 135.0], [776.3387, 111.0], [738.383, 120.0], [720.3724, 111.0], [716.3176, 163.0], [696.3724, 603.0], [678.3618, 788.0], [500.1451, 133.0], [480.1999, 430.0], [462.1893, 385.0], [438.1893, 104.0], [420.1787, 372.0], [402.1682, 202.0], [176.9354, 1521.0], [158.9248, 10000.0], [96.9691, 1055.0], [78.9585, 3529.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0_(OH)-NIL-C12:0_(OH)/C12:0_(OH)-NIL]|L2D (LMPTD00000017)", "MOLECULEMASS": "1381.8853", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "311", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1382.8926", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1381.885300", "SPLASH": "splash10-070j-4100434901-0ea275dbd770c3732d05"}, "peaks": [[1381.8853, 1180.0], [1363.8747, 302.0], [1211.7546, 805.0], [1193.744, 1862.0], [977.5715, 666.0], [926.5242, 1387.0], [908.5136, 677.0], [866.5031, 302.0], [761.399, 498.0], [756.3935, 5509.0], [738.383, 10000.0], [696.3724, 1762.0], [678.3618, 4402.0], [654.3618, 302.0], [636.3513, 498.0], [618.3407, 200.0], [522.2104, 5543.0], [462.1893, 5677.0], [420.1787, 302.0], [402.1682, 1605.0], [96.9691, 3389.0], [78.9585, 4021.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl-aminoarabinose C1-mono-phosphoryl di-glucosamine [PAra4N-C10:0_(OH)/NIL-C12:0_(OH)/C12:0_(OH)-NIL-C12:0_(OH)/C12:0_(OH)-P]|L2D (LMPTD00000067)", "MOLECULEMASS": "1592.9099", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "312", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1593.9172", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1592.909900", "SPLASH": "splash10-0a6r-6900200301-87eaeb06ce36232f076f"}, "peaks": [[1461.8516, 351.0], [1443.841, 296.0], [1363.8747, 576.0], [1193.744, 815.0], [1175.7335, 1539.0], [959.5609, 2152.0], [908.5136, 570.0], [866.5031, 123.0], [848.4925, 204.0], [756.3935, 727.0], [743.3884, 2585.0], [738.383, 1536.0], [696.3724, 311.0], [678.3618, 1011.0], [636.3513, 174.0], [522.2104, 861.0], [462.1893, 1297.0], [420.1787, 342.0], [402.1682, 915.0], [384.1576, 191.0], [228.0273, 48.0], [210.0167, 408.0], [176.9354, 1710.0], [158.9248, 10000.0], [96.9691, 2799.0], [78.9585, 6911.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/C16:0-P]|L2D (LMPTD00000195)", "MOLECULEMASS": "2062.4725", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "313", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2063.4798", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2062.472500", "SPLASH": "splash10-03di-9110110121-650eb714538521d76bb9"}, "peaks": [[2062.4725, 10000.0], [2044.462, 658.0], [1964.4956, 1314.0], [1834.2636, 1314.0], [1818.2687, 1807.0], [1800.2581, 658.0], [1738.3024, 658.0], [1736.2867, 986.0], [1720.2918, 658.0], [1590.0598, 658.0], [1572.0492, 328.0], [1510.0934, 986.0], [1492.0829, 1314.0], [1283.9002, 658.0], [1265.8896, 328.0], [1235.8426, 658.0], [1172.8317, 328.0], [1154.8212, 328.0], [1009.6494, 328.0], [948.6541, 328.0], [718.4295, 328.0], [676.419, 658.0], [412.1889, 328.0], [176.9354, 328.0], [158.9248, 1314.0], [96.9691, 658.0], [78.9585, 986.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-NIL]|L2D (LMPTD00000174)", "MOLECULEMASS": "1365.8904", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "314", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1366.8977", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1365.890400", "SPLASH": "splash10-0229-3000204900-bfff9491bf6cf749710f"}, "peaks": [[1365.8904, 570.0], [1347.8798, 156.0], [1195.7597, 276.0], [1177.7491, 535.0], [961.5766, 390.0], [910.5293, 1112.0], [892.5187, 145.0], [850.5082, 99.0], [761.399, 81.0], [740.3986, 4913.0], [722.388, 10000.0], [680.3775, 1367.0], [662.3669, 5434.0], [638.3669, 74.0], [620.3564, 99.0], [602.3458, 244.0], [522.2104, 1569.0], [462.1893, 3265.0], [420.1787, 156.0], [402.1682, 815.0], [304.1913, 50.0], [96.9691, 1697.0], [78.9585, 3819.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000203)", "MOLECULEMASS": "1490.052", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "315", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1491.0593", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1490.052000", "SPLASH": "splash10-0ufu-4010413902-0d67daa835ce84724a5c"}, "peaks": [[1490.052, 722.0], [1472.0414, 182.0], [1261.843, 3720.0], [1053.6603, 1458.0], [1035.6498, 2167.0], [976.6126, 4369.0], [835.4721, 365.0], [768.4299, 5044.0], [750.4194, 10000.0], [708.4088, 1884.0], [690.3982, 5591.0], [630.3771, 722.0], [550.2417, 2032.0], [490.2206, 4760.0], [448.21, 365.0], [430.1995, 1823.0], [96.9691, 1458.0], [78.9585, 3497.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C12:0-NIL-NIL/NIL-NIL]|L2D (LMPTD00000107)", "MOLECULEMASS": "1263.8587", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "316", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1264.866", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1263.858700", "SPLASH": "splash10-0udl-7000634910-d16e0fe3206563646e35"}, "peaks": [[1035.6498, 1030.0], [976.6126, 1258.0], [827.467, 819.0], [809.4565, 1363.0], [768.4299, 2032.0], [750.4194, 10000.0], [708.4088, 615.0], [690.3982, 4321.0], [666.3982, 178.0], [648.3877, 178.0], [630.3771, 819.0], [609.2788, 204.0], [550.2417, 5346.0], [490.2206, 7379.0], [448.21, 204.0], [430.1995, 1108.0], [96.9691, 3829.0], [78.9585, 6067.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C12:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/C16:0-NIL]|L2D (LMPTD00000191)", "MOLECULEMASS": "1926.4436", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "317", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1927.4509", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1926.443600", "SPLASH": "splash10-0059-0040503409-53dfc66c931b4cf51c41"}, "peaks": [[1926.4436, 10000.0], [1726.266, 5184.0], [1682.2398, 2940.0], [1482.0621, 7423.0], [1273.8794, 2313.0], [1255.8688, 3235.0], [1202.8059, 964.0], [999.6286, 959.0], [994.6232, 306.0], [976.6126, 1033.0], [916.5915, 484.0], [708.4088, 548.0], [690.3982, 1459.0], [490.2206, 369.0], [96.9691, 248.0], [78.9585, 395.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000215)", "MOLECULEMASS": "1824.2429", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "318", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1825.2502", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1824.242900", "SPLASH": "splash10-0a6s-7921330220-4d5b213c0f87cc1d0d34"}, "peaks": [[1824.2429, 2929.0], [1806.2323, 401.0], [1726.266, 608.0], [1596.0339, 1044.0], [1580.039, 2001.0], [1578.0234, 271.0], [1562.0285, 865.0], [1516.0676, 218.0], [1500.0727, 478.0], [1498.057, 1280.0], [1482.0621, 1037.0], [1351.8301, 1185.0], [1333.8195, 531.0], [1271.8638, 1818.0], [1253.8532, 2089.0], [1154.8212, 348.0], [1045.6705, 2043.0], [1027.6599, 1459.0], [944.6228, 654.0], [884.6017, 271.0], [799.451, 650.0], [736.4401, 573.0], [718.4295, 1825.0], [710.4244, 292.0], [676.419, 348.0], [658.4084, 411.0], [490.2206, 752.0], [466.2206, 861.0], [448.21, 907.0], [430.1995, 450.0], [412.1889, 373.0], [350.2331, 271.0], [176.9354, 3456.0], [158.9248, 10000.0], [96.9691, 3304.0], [78.9585, 5401.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C12:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000211)", "MOLECULEMASS": "1688.2139", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "319", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1689.2212", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1688.213900", "SPLASH": "splash10-0006-9050406101-326f18bde4036a4b94a8"}, "peaks": [[1688.2139, 1989.0], [1488.0363, 4047.0], [1444.0101, 1104.0], [1243.8325, 9871.0], [1202.8059, 1513.0], [1035.6498, 4818.0], [1017.6392, 10000.0], [994.6232, 696.0], [976.6126, 2005.0], [916.5915, 651.0], [817.4616, 908.0], [776.435, 469.0], [708.4088, 2859.0], [690.3982, 9644.0], [648.3877, 567.0], [630.3771, 590.0], [490.2206, 2375.0], [448.21, 280.0], [430.1995, 280.0], [96.9691, 1384.0], [78.9585, 1814.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C12:0-C14:0_(OH)/C12:0-C12:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000226)", "MOLECULEMASS": "1740.149", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "320", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1741.1563", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1740.149000", "SPLASH": "splash10-052f-4611333901-f99ae34098d54bbfbd49"}, "peaks": [[1740.149, 10000.0], [1722.1384, 1693.0], [1642.1721, 2120.0], [1539.9713, 2120.0], [1523.9764, 2299.0], [1505.9659, 1273.0], [1441.9944, 2367.0], [1425.9995, 847.0], [1305.7882, 1273.0], [1243.8325, 1693.0], [1225.8219, 1273.0], [1017.6392, 2188.0], [999.6286, 1693.0], [916.5915, 847.0], [799.451, 847.0], [708.4088, 1273.0], [690.3982, 1693.0], [648.3877, 847.0], [630.3771, 847.0], [490.2206, 847.0], [448.21, 847.0], [368.2437, 847.0], [176.9354, 3146.0], [158.9248, 7423.0], [96.9691, 1693.0], [78.9585, 3319.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl-aminoarabinose  di-glucosamine [PAra4N-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-NIL-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000036)", "MOLECULEMASS": "1649.1415", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "321", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1650.1488", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1649.141500", "SPLASH": "splash10-03fr-4090310600-ae0321d0ca2940f807a7"}, "peaks": [[1649.1415, 601.0], [1631.1309, 167.0], [1420.9326, 401.0], [1289.8743, 200.0], [1271.8638, 200.0], [1135.7022, 999.0], [1075.681, 401.0], [1063.681, 200.0], [796.4612, 601.0], [778.4506, 3033.0], [736.4401, 401.0], [718.4295, 3699.0], [550.2417, 1467.0], [490.2206, 2799.0], [430.1995, 799.0], [228.0273, 1100.0], [210.0167, 10000.0], [96.9691, 601.0], [78.9585, 4134.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C12:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D (LMPTD00000211)", "MOLECULEMASS": "1688.2139", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "322", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1689.2212", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1688.213900", "SPLASH": "splash10-00ko-9040305102-e3d6372aaec972c15418"}, "peaks": [[1688.2139, 3950.0], [1488.0363, 3470.0], [1444.0101, 2420.0], [1243.8325, 7990.0], [1202.8059, 1939.0], [1035.6498, 5490.0], [1017.6392, 10000.0], [994.6232, 1939.0], [976.6126, 1939.0], [916.5915, 969.0], [817.4616, 1939.0], [708.4088, 2420.0], [690.3982, 8960.0], [430.1995, 969.0], [96.9691, 1939.0], [78.9585, 2780.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/C16:0-C12:0_(OH)/C12:0_(OH)-NIL-C12:0_(OH)/C12:0_(OH)-NIL]|L2D (LMPTD00000140)", "MOLECULEMASS": "1620.115", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "323", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1621.1223", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1620.115000", "SPLASH": "splash10-00di-0103009201-3d05d07e692406e7f230"}, "peaks": [[1620.115, 10000.0], [1363.8747, 3931.0], [1211.7546, 838.0], [1193.744, 1301.0], [1164.7539, 504.0], [977.5715, 504.0], [908.5136, 1819.0], [848.4925, 167.0], [756.3935, 1230.0], [738.383, 1427.0], [696.3724, 167.0], [678.3618, 337.0], [522.2104, 337.0], [462.1893, 337.0], [420.1787, 140.0], [402.1682, 167.0], [96.9691, 140.0], [78.9585, 140.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl-aminoarabinose C1-mono-phosphoryl di-glucosamine [PAra4N-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000144)", "MOLECULEMASS": "1955.3011", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "324", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1956.3084", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1955.301100", "SPLASH": "splash10-0kmj-7573590242-08f210eabc9826f057f7"}, "peaks": [[1955.3011, 1267.0], [1937.2906, 2520.0], [1824.2429, 8937.0], [1806.2323, 1267.0], [1744.2765, 1267.0], [1726.266, 2520.0], [1596.0339, 3786.0], [1580.039, 6308.0], [1578.0234, 1267.0], [1562.0285, 2520.0], [1516.0676, 1267.0], [1500.0727, 3786.0], [1498.057, 6308.0], [1482.0621, 3786.0], [1441.0356, 1267.0], [1351.8301, 5054.0], [1333.8195, 1267.0], [1271.8638, 8624.0], [1253.8532, 5054.0], [1045.6705, 2520.0], [1027.6599, 3786.0], [1004.6439, 1267.0], [944.6228, 2520.0], [718.4295, 2520.0], [210.0167, 2520.0], [176.9354, 2520.0], [158.9248, 10000.0], [96.9691, 3786.0], [78.9585, 3786.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl-aminoarabinose di-glucosamine [P-C10:0_(OH)/C16:0-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-PAra4N]|L2D (LMPTD00000083)", "MOLECULEMASS": "1815.1446", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "325", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1816.1519", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1815.144600", "SPLASH": "splash10-001i-0401109010-b06384513f4a045ce67b"}, "peaks": [[1815.1446, 983.0], [1797.134, 589.0], [1684.0864, 10000.0], [1666.0758, 784.0], [1604.12, 983.0], [1586.1095, 1178.0], [1427.8461, 1178.0], [1409.8356, 394.0], [1347.8798, 394.0], [1329.8692, 1408.0], [1177.7491, 784.0], [1159.7386, 1308.0], [1130.7484, 394.0], [943.566, 784.0], [892.5187, 394.0], [832.4976, 394.0], [743.3884, 394.0], [722.388, 394.0], [662.3669, 394.0], [654.3618, 394.0], [210.0167, 589.0], [176.9354, 1194.0], [158.9248, 2766.0], [96.9691, 589.0], [78.9585, 589.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C10:0_(OH)-NIL-C12:0_(OH)/C12:0_(OH)-P]|L2D (LMPTD00000050)", "MOLECULEMASS": "1433.8203", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "326", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1434.8276", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1433.820300", "SPLASH": "splash10-0a6r-4900200001-0344ec8b95a359168583"}, "peaks": [[1433.8203, 1406.0], [1415.8097, 648.0], [1335.8434, 1705.0], [1165.7127, 1003.0], [1147.7022, 1454.0], [1119.6709, 1220.0], [949.5402, 799.0], [931.5296, 1628.0], [880.4824, 503.0], [743.3884, 675.0], [728.3622, 346.0], [710.3517, 725.0], [668.3411, 195.0], [650.3305, 476.0], [590.3094, 225.0], [522.2104, 648.0], [462.1893, 740.0], [420.1787, 305.0], [402.1682, 474.0], [176.9354, 2179.0], [158.9248, 10000.0], [96.9691, 1905.0], [78.9585, 6525.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/NIL-P]|L2D (LMPTD00000057)", "MOLECULEMASS": "1247.6947", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "327", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1248.702", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1247.694700", "SPLASH": "splash10-002b-2950001214-dc6b8c5129b86313635d"}, "peaks": [[1247.6947, 10000.0], [1229.6842, 2707.0], [1167.7284, 569.0], [1149.7178, 9076.0], [979.5872, 4028.0], [961.5766, 6463.0], [910.5293, 646.0], [892.5187, 3063.0], [850.5082, 397.0], [832.4976, 681.0], [761.399, 1019.0], [740.3986, 1570.0], [722.388, 3282.0], [680.3775, 918.0], [662.3669, 1902.0], [620.3564, 640.0], [602.3458, 284.0], [522.2104, 444.0], [462.1893, 480.0], [456.1999, 911.0], [420.1787, 539.0], [402.1682, 391.0], [384.1576, 290.0], [322.2018, 284.0], [176.9354, 3815.0], [158.9248, 8543.0], [96.9691, 2459.0], [78.9585, 3868.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tetra-acyl C4'-di-phosphoryl  di-glucosamine [PP-NIL/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0-NIL]|L2D (LMPTD00000066)", "MOLECULEMASS": "1259.7311", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "328", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1260.7384", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1259.731100", "SPLASH": "splash10-0bvi-6920202312-03220fc58ddb60745cb6"}, "peaks": [[1259.7311, 3089.0], [1241.7205, 1767.0], [1161.7542, 2943.0], [961.5766, 3433.0], [820.365, 1767.0], [802.3544, 1176.0], [742.3332, 1176.0], [740.3986, 1176.0], [722.388, 3624.0], [680.3775, 1767.0], [662.3669, 2943.0], [522.2104, 1176.0], [438.1893, 1767.0], [420.1787, 1176.0], [402.1682, 1176.0], [176.9354, 1767.0], [158.9248, 10000.0], [96.9691, 2943.0], [78.9585, 7495.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-pyrophosphoryl-ethanolamine C1-mono-pyrophosphoryl-ethanolamine di-glucosamine [PPEtN-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0-C12:0_(OH)-C14:0_(OH)/C12:0-PPEtN]|L2D (LMPTD00000220)", "MOLECULEMASS": "2140.3018", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "329", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2141.3091", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2140.301800", "SPLASH": "splash10-0gb9-5182023549-a0985bd31c597160f19b"}, "peaks": [[2140.3018, 898.0], [2017.2933, 3087.0], [1999.2827, 1795.0], [1937.3269, 1795.0], [1919.3164, 10000.0], [1894.2847, 1795.0], [1876.2742, 2417.0], [1858.2636, 1795.0], [1783.1102, 898.0], [1778.2973, 898.0], [1721.1544, 1346.0], [1719.1387, 4102.0], [1703.1438, 3142.0], [1676.0965, 898.0], [1658.086, 2244.0], [1642.0911, 898.0], [1596.1302, 1346.0], [1578.1196, 1346.0], [1502.9662, 1346.0], [1459.924, 898.0], [1397.9682, 4433.0], [1379.9577, 898.0], [1211.7464, 3479.0], [1199.8062, 898.0], [1011.5687, 1346.0], [987.5687, 1795.0], [981.618, 898.0], [888.5602, 898.0], [870.5496, 898.0], [690.3982, 1346.0], [630.3771, 898.0], [430.1995, 898.0], [219.9776, 3425.0], [201.967, 8142.0], [158.9248, 1346.0], [78.9585, 5449.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:1/NIL-C14:0_(OH)/C12:0_(OH)-C12:0_(OH)-C14:0_(OH)/C12:0-P]|L2D (LMPTD00000068)", "MOLECULEMASS": "1710.102", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "330", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1711.1093", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1710.102000", "SPLASH": "splash10-08fs-3902602500-121711edc6034671f3fc"}, "peaks": [[1710.102, 8583.0], [1692.0914, 989.0], [1612.1251, 1573.0], [1493.9295, 4167.0], [1475.9189, 989.0], [1413.9631, 2406.0], [1395.9526, 2594.0], [1215.8012, 989.0], [1197.7906, 1513.0], [1195.775, 2314.0], [1015.6235, 989.0], [997.613, 492.0], [904.5551, 741.0], [886.5446, 492.0], [864.5602, 492.0], [781.4404, 741.0], [724.4037, 492.0], [706.3931, 741.0], [664.3826, 492.0], [646.372, 492.0], [630.3771, 989.0], [550.4108, 492.0], [490.2206, 741.0], [448.21, 1233.0], [430.1995, 741.0], [412.1889, 492.0], [350.2331, 492.0], [332.2226, 741.0], [176.9354, 2130.0], [158.9248, 10000.0], [96.9691, 1233.0], [78.9585, 3270.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C10:0_(OH)/NIL-C12:0_(OH)/C12:0_(OH)-C10:0_(OH)-C12:0_(OH)/C12:0_(OH)-NIL]|L2D (LMPTD00000160)", "MOLECULEMASS": "1552.016", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "331", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1553.0233", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1552.016000", "SPLASH": "splash10-06vl-4503427209-f2c6407984445c19aa11"}, "peaks": [[1552.016, 3857.0], [1363.8747, 4219.0], [1193.744, 3634.0], [1175.7335, 4018.0], [1096.6549, 446.0], [959.5609, 10000.0], [926.5242, 1032.0], [908.5136, 2202.0], [866.5031, 262.0], [743.3884, 4411.0], [696.3724, 2979.0], [692.3411, 470.0], [678.3618, 7113.0], [618.3407, 362.0], [462.1893, 4834.0], [420.1787, 385.0], [402.1682, 793.0], [304.1913, 500.0], [96.9691, 1586.0], [78.9585, 4611.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A tri-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/NIL-C14:0_(OH)/C12:0-NIL-NIL/NIL-NIL]|L2D (LMPTD00000163)", "MOLECULEMASS": "1053.6603", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "332", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1054.6676", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1053.660300", "SPLASH": "splash10-0fbc-9000413400-259fe6305234fcd3b2f8"}, "peaks": [[827.467, 295.0], [809.4565, 490.0], [768.4299, 1225.0], [750.4194, 5589.0], [708.4088, 392.0], [690.3982, 4606.0], [648.3877, 97.0], [630.3771, 97.0], [609.2788, 245.0], [550.2417, 2107.0], [490.2206, 4999.0], [448.21, 245.0], [430.1995, 1814.0], [96.9691, 4264.0], [78.9585, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl-aminoarabinose di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/C16:0-PAra4N]|L2D (LMPTD00000222)", "MOLECULEMASS": "2193.5308", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "333", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "2194.5381", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "2193.530800", "SPLASH": "splash10-03di-9200020121-c8c8d127639643eebc03"}, "peaks": [[2193.5308, 420.0], [2175.5202, 523.0], [2062.4725, 10000.0], [2044.462, 314.0], [1982.5062, 314.0], [1964.4956, 629.0], [1834.2636, 996.0], [1818.2687, 2462.0], [1800.2581, 420.0], [1754.2973, 314.0], [1738.3024, 209.0], [1736.2867, 629.0], [1720.2918, 420.0], [1590.0598, 759.0], [1572.0492, 314.0], [1510.0934, 1650.0], [1492.0829, 314.0], [1283.9002, 420.0], [1265.8896, 209.0], [1154.8212, 209.0], [1009.6494, 420.0], [1004.6439, 209.0], [948.6541, 314.0], [944.6228, 420.0], [718.4295, 314.0], [704.4503, 209.0], [686.4397, 209.0], [676.419, 314.0], [606.4734, 314.0], [430.1995, 209.0], [332.2226, 209.0], [210.0167, 209.0], [176.9354, 420.0], [158.9248, 1152.0], [96.9691, 420.0], [78.9585, 420.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl  di-glucosamine [P-C12:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-NIL]|L2D (LMPTD00000150)", "MOLECULEMASS": "1393.9217", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "334", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1394.929", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1393.921700", "SPLASH": "splash10-0229-2000115900-1db8c65df0c7996c1744"}, "peaks": [[1393.9217, 44.0], [1177.7491, 136.0], [961.5766, 407.0], [938.5606, 252.0], [761.399, 202.0], [740.3986, 5053.0], [722.388, 10000.0], [680.3775, 1599.0], [662.3669, 7073.0], [620.3564, 150.0], [602.3458, 194.0], [522.2104, 2703.0], [462.1893, 2689.0], [420.1787, 121.0], [402.1682, 455.0], [96.9691, 1851.0], [78.9585, 2892.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A penta-acyl C4'-mono-phosphoryl-aminoarabinose C1-mono-phosphoryl-aminoarabinose di-glucosamine [PAra4N-C10:0_(OH)/NIL-C12:0_(OH)/C12:0-NIL-C12:0_(OH)/C12:0_(OH)-PAra4N]|L2D (LMPTD00000229)", "MOLECULEMASS": "1707.9732", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "335", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1708.9805", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1707.973200", "SPLASH": "splash10-002b-1503910211-92e18d6de87f3496c549"}, "peaks": [[1707.9732, 141.0], [1576.915, 1618.0], [1558.9044, 501.0], [1445.8567, 10000.0], [1427.8461, 1169.0], [1365.8904, 835.0], [1347.8798, 2980.0], [1177.7491, 1490.0], [1159.7386, 1657.0], [943.566, 905.0], [910.5293, 501.0], [903.5347, 334.0], [892.5187, 1059.0], [850.5082, 334.0], [743.3884, 501.0], [740.3986, 835.0], [722.388, 1196.0], [662.3669, 501.0], [228.0273, 167.0], [210.0167, 668.0], [176.9354, 1516.0], [158.9248, 1670.0], [96.9691, 905.0], [78.9585, 1323.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C12:0-C12:0_(OH)-C14:0_(OH)/C12:0-P]|L2D (LMPTD00000121)", "MOLECULEMASS": "1894.2847", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "336", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1895.292", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1894.284700", "SPLASH": "splash10-0006-1401113090-9e7f1c6b17b16c774e86"}, "peaks": [[1894.2847, 10000.0], [1876.2742, 341.0], [1814.3184, 63.0], [1796.3078, 536.0], [1694.1071, 703.0], [1678.1122, 2023.0], [1676.0965, 76.0], [1660.1016, 305.0], [1614.1408, 63.0], [1598.1459, 260.0], [1596.1302, 869.0], [1580.1353, 412.0], [1477.9346, 800.0], [1459.924, 260.0], [1397.9682, 980.0], [1379.9577, 765.0], [1199.8062, 354.0], [1181.7957, 235.0], [1179.78, 551.0], [1088.7378, 73.0], [999.6286, 335.0], [981.618, 310.0], [888.5602, 181.0], [864.5602, 87.0], [828.5391, 91.0], [708.4088, 121.0], [690.3982, 413.0], [648.3877, 200.0], [630.3771, 217.0], [612.3665, 97.0], [490.2206, 101.0], [448.21, 184.0], [430.1995, 200.0], [412.1889, 98.0], [176.9354, 942.0], [158.9248, 2913.0], [96.9691, 324.0], [78.9585, 822.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Lipid A hexa-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C10:0-C12:0_(OH)-C14:0_(OH)/NIL-P]|L2D (LMPTD00000021)", "MOLECULEMASS": "1684.0864", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "337", "CHARGE": "1", "IONMODE": "Negative", "EXACTMASS": "1685.0937", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M-H]-", "LIBQUALITY": "4", "PI": "Xueli Guan Lab", "MSLEVEL": "2", "PEPMASS": "1684.086400", "SPLASH": "splash10-05o9-1912407001-c82a68cb113e0e682df4"}, "peaks": [[1684.0864, 10000.0], [1666.0758, 718.0], [1604.12, 170.0], [1586.1095, 1124.0], [1483.9087, 1205.0], [1467.9138, 4237.0], [1465.8982, 254.0], [1449.9033, 863.0], [1403.9424, 154.0], [1387.9475, 591.0], [1385.9318, 1408.0], [1369.9369, 1651.0], [1267.7362, 1348.0], [1249.7256, 436.0], [1187.7699, 2262.0], [1169.7593, 2068.0], [1042.696, 157.0], [989.6079, 1420.0], [971.5973, 1233.0], [860.5289, 351.0], [682.3931, 242.0], [680.3775, 185.0], [662.3669, 524.0], [620.3564, 245.0], [602.3458, 148.0], [466.2206, 345.0], [448.21, 215.0], [430.1995, 151.0], [176.9354, 2907.0], [158.9248, 7373.0], [96.9691, 1102.0], [78.9585, 1955.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:3;O3 | HexCer 18:2;O2/24:1;O # [M+H]+  @RT 13.1 min (LMPTD00000277)", "MOLECULEMASS": "824.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "1", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "823.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "824.186300", "SPLASH": "splash10-03fr-0090007000-cb428feb9bdca976210b"}, "peaks": [[107.0827, 84.0], [109.1011, 105.0], [121.1044, 125.0], [123.1147, 125.0], [135.1168, 167.0], [138.1364, 42.0], [147.1164, 42.0], [149.1333, 125.0], [151.1563, 42.0], [161.1388, 42.0], [163.146, 63.0], [175.1516, 63.0], [185.1414, 42.0], [193.1966, 42.0], [196.2079, 42.0], [209.1865, 125.0], [219.2064, 42.0], [233.2258, 125.0], [236.2453, 84.0], [240.2102, 42.0], [245.2274, 250.0], [247.2431, 84.0], [250.2515, 1714.0], [250.3978, 42.0], [250.7531, 42.0], [251.2594, 84.0], [252.2671, 209.0], [261.3795, 42.0], [262.2527, 10000.0], [262.4391, 42.0], [262.5466, 84.0], [263.2583, 627.0], [263.9787, 42.0], [264.2685, 1923.0], [264.6091, 84.0], [265.0657, 63.0], [280.2619, 1589.0], [281.2675, 63.0], [282.2875, 334.0], [283.2938, 63.0], [319.34, 84.0], [337.3534, 84.0], [347.3247, 125.0], [364.3559, 209.0], [376.3658, 42.0], [380.3553, 105.0], [382.3708, 397.0], [385.3866, 42.0], [390.3402, 42.0], [392.3487, 42.0], [394.3673, 125.0], [395.2645, 63.0], [406.3627, 42.0], [409.8818, 42.0], [420.3866, 42.0], [422.3555, 42.0], [424.3783, 167.0], [434.3976, 42.0], [442.3147, 146.0], [443.3563, 42.0], [478.8433, 42.0], [519.8082, 42.0], [551.5172, 42.0], [586.5927, 42.0], [598.596, 188.0], [599.6014, 84.0], [608.587, 42.0], [609.5745, 42.0], [614.5894, 1902.0], [615.5921, 501.0], [616.5982, 42.0], [625.4216, 42.0], [626.5884, 6116.0], [627.1325, 42.0], [627.5967, 1463.0], [627.9888, 42.0], [628.1014, 42.0], [628.6054, 1002.0], [629.6059, 334.0], [643.4637, 42.0], [644.5988, 2634.0], [645.4712, 84.0], [645.6047, 334.0], [645.8342, 42.0], [756.5561, 42.0], [764.4068, 84.0], [806.6522, 669.0], [807.6558, 209.0], [824.705, 63.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Hex2Cer 34:1;O2 | Hex2Cer 18:1;O2/16:0 # [M+H]+  @RT 6.3 min (LMPTD00000300)", "MOLECULEMASS": "862.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "2", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "861.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "862.186300", "SPLASH": "splash10-0w90-0090040000-afed4d49dae22523ac11"}, "peaks": [[109.1003, 28.0], [111.1001, 28.0], [123.1178, 43.0], [127.0388, 43.0], [135.1168, 56.0], [137.1304, 28.0], [145.0481, 56.0], [163.0385, 28.0], [197.1873, 28.0], [199.5658, 28.0], [200.1284, 28.0], [200.2391, 514.0], [201.2311, 28.0], [224.2376, 28.0], [233.2246, 86.0], [236.2375, 343.0], [237.2337, 28.0], [238.2521, 586.0], [239.2452, 28.0], [240.2326, 28.0], [247.2477, 100.0], [249.4334, 43.0], [250.2533, 8303.0], [250.3883, 28.0], [250.5074, 28.0], [250.6387, 28.0], [251.1909, 28.0], [251.2565, 743.0], [252.2681, 757.0], [253.2706, 86.0], [255.2474, 43.0], [256.2615, 229.0], [264.2688, 10000.0], [264.5163, 28.0], [264.5993, 28.0], [264.8026, 28.0], [265.2688, 914.0], [265.4963, 43.0], [266.2908, 28.0], [267.2616, 43.0], [268.0796, 28.0], [268.2633, 900.0], [269.2587, 28.0], [270.2788, 171.0], [280.2639, 43.0], [282.281, 1357.0], [283.2884, 113.0], [291.2823, 28.0], [294.2803, 28.0], [305.3043, 28.0], [309.2892, 28.0], [378.1867, 28.0], [426.3087, 28.0], [490.4998, 1257.0], [490.8035, 28.0], [491.4998, 143.0], [500.846, 28.0], [502.3914, 46.0], [502.499, 2354.0], [503.4989, 457.0], [504.2199, 28.0], [504.5144, 600.0], [505.5182, 71.0], [518.7929, 28.0], [518.8626, 28.0], [519.723, 28.0], [520.5093, 6917.0], [520.8169, 43.0], [521.1759, 129.0], [521.512, 1529.0], [522.0634, 28.0], [523.7201, 28.0], [562.5226, 28.0], [606.4051, 28.0], [682.5648, 257.0], [683.562, 56.0], [844.6124, 1286.0], [845.6194, 343.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Hex2Cer 42:2;O2 | Hex2Cer 18:1;O2/24:1 # [M+H]+  @RT 16.5 min (LMPTD00000325)", "MOLECULEMASS": "972.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "3", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "971.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "972.186300", "SPLASH": "splash10-03e9-0090004000-d7e64c5391865c38ac1b"}, "peaks": [[107.0986, 52.0], [107.9716, 35.0], [109.1053, 52.0], [121.1043, 104.0], [122.1272, 35.0], [163.071, 35.0], [191.1655, 35.0], [211.2, 35.0], [247.2365, 87.0], [252.2677, 1042.0], [253.4076, 35.0], [259.1574, 35.0], [262.2597, 104.0], [263.2602, 35.0], [263.3382, 35.0], [263.4003, 69.0], [263.7109, 35.0], [264.2699, 10000.0], [264.413, 69.0], [264.5072, 69.0], [264.8638, 122.0], [265.2724, 1772.0], [265.7197, 35.0], [266.2749, 69.0], [282.2788, 1793.0], [283.2788, 174.0], [349.354, 35.0], [366.3721, 122.0], [378.3686, 35.0], [408.3842, 35.0], [410.1757, 35.0], [599.7915, 35.0], [600.6103, 382.0], [601.517, 35.0], [601.6046, 139.0], [612.4965, 35.0], [612.6096, 1320.0], [613.4375, 35.0], [613.6102, 278.0], [614.4867, 35.0], [614.624, 261.0], [615.622, 139.0], [628.5282, 35.0], [629.2575, 35.0], [629.5134, 52.0], [630.0384, 35.0], [630.6194, 2988.0], [631.0248, 87.0], [631.3324, 35.0], [631.6174, 1129.0], [790.5386, 35.0], [792.6719, 104.0], [912.6168, 35.0], [954.7197, 313.0], [955.7072, 69.0], [972.7601, 52.0], [973.8902, 35.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:3;O2 | HexCer 18:1;O2/24:2 # [M+H]+  @RT 14.3 min (LMPTD00000301)", "MOLECULEMASS": "808.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "5", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "807.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "808.186300", "SPLASH": "splash10-03di-0090003000-ad2d9659e3805537228d"}, "peaks": [[107.093, 51.0], [109.1048, 51.0], [119.0791, 25.0], [121.103, 76.0], [133.0881, 25.0], [135.1179, 38.0], [145.1486, 38.0], [149.1375, 25.0], [184.0732, 25.0], [211.2049, 38.0], [217.2008, 25.0], [236.2184, 25.0], [247.2392, 51.0], [250.2545, 177.0], [252.2677, 733.0], [253.2672, 51.0], [262.2527, 2572.0], [262.4296, 38.0], [263.2576, 252.0], [263.3918, 38.0], [263.5797, 25.0], [263.8448, 25.0], [264.0023, 25.0], [264.2686, 10000.0], [264.4791, 76.0], [264.626, 25.0], [264.7157, 25.0], [265.2699, 657.0], [265.5797, 38.0], [266.2816, 152.0], [266.8699, 25.0], [266.9616, 25.0], [280.264, 303.0], [281.2646, 25.0], [282.2786, 1377.0], [283.28, 113.0], [284.2722, 25.0], [305.3096, 51.0], [307.274, 25.0], [313.2771, 38.0], [319.2835, 38.0], [329.3254, 25.0], [347.3322, 101.0], [349.344, 51.0], [360.3452, 25.0], [364.3658, 38.0], [366.3723, 63.0], [388.3574, 51.0], [389.3568, 38.0], [406.3718, 51.0], [416.3812, 38.0], [442.3315, 38.0], [443.8887, 25.0], [444.3282, 101.0], [504.4724, 25.0], [509.3888, 25.0], [536.4809, 25.0], [537.4751, 25.0], [552.8004, 25.0], [577.5173, 25.0], [581.5581, 25.0], [598.5929, 518.0], [599.5974, 51.0], [607.3805, 25.0], [610.1625, 25.0], [610.5915, 1604.0], [610.7927, 51.0], [611.6014, 354.0], [612.6114, 379.0], [612.8371, 25.0], [613.6097, 202.0], [626.5534, 25.0], [627.4988, 25.0], [628.3298, 25.0], [628.6024, 2425.0], [629.6026, 606.0], [630.0062, 25.0], [746.4946, 25.0], [790.6588, 1213.0], [791.6648, 291.0], [792.1088, 25.0], [808.6712, 101.0], [809.6422, 25.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 43:1;O3 | HexCer 18:1;O2/25:0;O # [M+H]+  @RT 26.5 min (LMPTD00000291)", "MOLECULEMASS": "842.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "7", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "841.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "842.186300", "SPLASH": "splash10-03di-0080009000-2cf25bf871932f5a49dd"}, "peaks": [[100.076, 10.0], [107.0837, 50.0], [109.1023, 75.0], [111.0787, 10.0], [115.0387, 10.0], [115.0824, 10.0], [117.0502, 10.0], [121.0992, 155.0], [123.1157, 35.0], [127.0379, 10.0], [135.1177, 150.0], [137.1339, 30.0], [145.038, 10.0], [149.1327, 55.0], [163.1449, 20.0], [165.1599, 20.0], [167.1613, 15.0], [171.0898, 10.0], [177.1458, 20.0], [198.2219, 20.0], [205.1939, 10.0], [211.2026, 105.0], [222.3286, 10.0], [235.2489, 10.0], [240.2328, 10.0], [247.1457, 10.0], [247.2451, 321.0], [248.2482, 20.0], [249.2435, 15.0], [250.258, 65.0], [251.2531, 10.0], [251.4068, 10.0], [252.2683, 1807.0], [252.6379, 15.0], [253.2708, 135.0], [254.2542, 10.0], [255.2851, 15.0], [257.0195, 10.0], [263.3912, 30.0], [263.9194, 15.0], [264.0089, 10.0], [264.0686, 20.0], [264.2687, 10000.0], [264.4644, 20.0], [264.5779, 30.0], [264.7228, 30.0], [264.8817, 15.0], [264.9861, 10.0], [265.1434, 20.0], [265.2687, 742.0], [265.3719, 35.0], [265.6379, 15.0], [265.9456, 10.0], [266.2832, 150.0], [266.5284, 10.0], [267.2869, 80.0], [268.2637, 10.0], [268.3138, 10.0], [268.4559, 10.0], [269.2673, 10.0], [276.2778, 15.0], [281.9716, 15.0], [282.2803, 1206.0], [283.2804, 90.0], [284.2909, 145.0], [285.302, 171.0], [286.2973, 30.0], [289.2416, 10.0], [289.5853, 10.0], [290.2473, 10.0], [291.2129, 10.0], [293.2887, 10.0], [302.3039, 60.0], [303.3028, 60.0], [307.2919, 10.0], [310.2952, 10.0], [319.2562, 10.0], [323.2615, 10.0], [345.3574, 15.0], [363.3593, 20.0], [377.3881, 10.0], [380.3916, 296.0], [381.3921, 35.0], [391.2817, 10.0], [394.3978, 20.0], [395.3949, 20.0], [396.394, 15.0], [398.3993, 772.0], [399.4044, 50.0], [403.3979, 15.0], [404.3925, 15.0], [408.3878, 30.0], [410.4009, 35.0], [421.3801, 20.0], [422.4025, 110.0], [423.4021, 10.0], [424.436, 10.0], [438.3934, 40.0], [439.4285, 10.0], [440.404, 70.0], [441.3985, 10.0], [444.3285, 50.0], [445.3195, 15.0], [445.5026, 10.0], [509.481, 10.0], [523.4637, 10.0], [551.3347, 20.0], [558.308, 10.0], [578.5821, 20.0], [584.3791, 10.0], [586.6188, 10.0], [587.6272, 10.0], [598.6401, 20.0], [604.6426, 10.0], [605.6341, 15.0], [607.3869, 40.0], [607.4686, 10.0], [608.3869, 10.0], [614.6218, 30.0], [615.6392, 15.0], [616.6434, 110.0], [617.5192, 10.0], [617.6333, 20.0], [626.6259, 40.0], [627.6318, 15.0], [628.6368, 20.0], [630.5955, 15.0], [631.6721, 20.0], [632.6329, 2201.0], [633.0577, 15.0], [633.2503, 10.0], [633.353, 10.0], [633.6407, 351.0], [634.3678, 10.0], [634.5348, 10.0], [635.049, 15.0], [635.9879, 10.0], [641.4808, 10.0], [641.778, 10.0], [642.4923, 20.0], [642.6627, 10.0], [643.3761, 30.0], [643.5335, 20.0], [643.6535, 40.0], [644.1121, 30.0], [644.3267, 15.0], [644.4519, 10.0], [644.635, 5263.0], [644.8811, 10.0], [644.9938, 40.0], [645.1973, 25.0], [645.3372, 20.0], [645.4569, 20.0], [645.6383, 1569.0], [646.0632, 16.0], [646.2707, 10.0], [646.6463, 1284.0], [647.4191, 15.0], [647.497, 10.0], [647.6479, 150.0], [648.0359, 10.0], [648.5295, 10.0], [648.6928, 10.0], [650.3888, 15.0], [658.1142, 10.0], [659.463, 15.0], [660.2231, 10.0], [660.4591, 10.0], [660.6669, 176.0], [661.3969, 20.0], [661.5084, 10.0], [661.6686, 662.0], [661.9415, 20.0], [662.656, 3694.0], [662.9956, 35.0], [663.4501, 40.0], [663.6537, 672.0], [663.9776, 15.0], [664.6539, 10.0], [665.1614, 10.0], [665.6746, 10.0], [678.6681, 50.0], [679.6814, 80.0], [680.6824, 231.0], [704.639, 10.0], [714.6146, 10.0], [788.6693, 10.0], [806.6928, 35.0], [807.6953, 10.0], [822.655, 10.0], [824.6985, 381.0], [825.2911, 15.0], [825.6953, 140.0], [826.0827, 10.0], [841.7205, 10.0], [842.7765, 30.0], [843.4172, 10.0], [843.6839, 20.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 40:1;O3 | HexCer 16:1;O2/24:0;O # [M+H]+  | HexCer 40:1;O3 | HexCer 18:1;O2/22:0;O # [M+H]+  @RT 18.3 min (LMPTD00000339)", "MOLECULEMASS": "800.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "10", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "799.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "800.186300", "SPLASH": "splash10-0w29-0090018000-0763b24a689c18648440"}, "peaks": [[107.0864, 54.0], [109.1041, 87.0], [111.118, 44.0], [112.1187, 11.0], [121.1005, 174.0], [123.1175, 33.0], [125.1196, 22.0], [127.0317, 16.0], [127.0984, 11.0], [127.1526, 11.0], [135.1192, 163.0], [136.1163, 11.0], [137.1361, 11.0], [145.0498, 27.0], [149.1335, 60.0], [150.1421, 16.0], [151.159, 16.0], [163.1467, 33.0], [165.1674, 33.0], [165.5492, 11.0], [170.1894, 16.0], [183.1708, 44.0], [193.2093, 11.0], [197.1938, 16.0], [198.2196, 11.0], [207.2149, 11.0], [209.1921, 16.0], [211.2071, 76.0], [219.2124, 113.0], [221.2486, 11.0], [224.2379, 588.0], [224.7346, 11.0], [225.2378, 76.0], [233.2247, 38.0], [235.2458, 11.0], [235.4556, 22.0], [235.5065, 11.0], [235.9676, 12.0], [236.2378, 4536.0], [236.4713, 22.0], [236.6471, 11.0], [236.7805, 16.0], [237.2375, 261.0], [237.4011, 11.0], [237.4955, 11.0], [237.6291, 22.0], [238.2516, 278.0], [239.288, 33.0], [247.2425, 316.0], [248.2524, 33.0], [249.2744, 11.0], [250.2547, 940.0], [251.2548, 98.0], [251.4443, 11.0], [252.2677, 1411.0], [252.523, 11.0], [253.2706, 131.0], [254.1227, 11.0], [254.2485, 397.0], [255.2475, 44.0], [261.5776, 11.0], [262.2511, 11.0], [262.7919, 11.0], [263.4008, 33.0], [263.7108, 11.0], [263.8599, 11.0], [264.0506, 22.0], [264.1382, 22.0], [264.2681, 8527.0], [264.4321, 11.0], [264.5258, 56.0], [264.6091, 27.0], [264.7275, 16.0], [264.7917, 11.0], [264.955, 11.0], [265.0297, 11.0], [265.1693, 16.0], [265.2725, 958.0], [265.5699, 11.0], [265.6447, 11.0], [265.8377, 22.0], [266.0052, 11.0], [266.2797, 109.0], [267.2937, 11.0], [267.6942, 11.0], [268.2634, 120.0], [275.2377, 11.0], [282.2787, 1034.0], [282.4087, 11.0], [283.2789, 109.0], [284.7094, 11.0], [285.3037, 16.0], [291.2721, 11.0], [294.275, 11.0], [303.3015, 33.0], [310.3472, 11.0], [315.2241, 16.0], [320.3034, 11.0], [321.3159, 22.0], [331.2705, 11.0], [333.2606, 11.0], [338.3393, 267.0], [339.342, 44.0], [349.2628, 11.0], [349.3296, 11.0], [350.3446, 22.0], [352.363, 44.0], [355.1705, 11.0], [356.3524, 675.0], [356.7298, 11.0], [357.3537, 82.0], [362.3449, 22.0], [363.2485, 11.0], [366.3723, 82.0], [367.3773, 44.0], [368.3449, 22.0], [370.3747, 65.0], [371.3767, 22.0], [378.373, 11.0], [380.3516, 49.0], [384.2308, 11.0], [384.3815, 261.0], [385.3834, 38.0], [390.3755, 11.0], [391.3237, 11.0], [393.3346, 11.0], [394.3658, 44.0], [396.3571, 71.0], [397.3822, 11.0], [398.368, 65.0], [399.3271, 27.0], [408.3845, 11.0], [409.2845, 11.0], [409.3867, 11.0], [410.3724, 11.0], [414.3092, 22.0], [416.3015, 49.0], [421.3798, 11.0], [424.3699, 11.0], [425.3794, 11.0], [426.3923, 33.0], [430.3043, 22.0], [434.3812, 11.0], [444.3349, 131.0], [445.3206, 16.0], [481.4302, 11.0], [484.4349, 11.0], [536.5271, 16.0], [556.5735, 44.0], [558.4361, 11.0], [562.5791, 16.0], [572.5869, 33.0], [574.5926, 120.0], [575.5832, 33.0], [584.5716, 44.0], [584.9664, 16.0], [585.5737, 22.0], [586.614, 11.0], [588.5107, 11.0], [588.6493, 11.0], [588.996, 11.0], [589.5905, 16.0], [590.1604, 11.0], [590.585, 2585.0], [590.9787, 11.0], [591.0532, 11.0], [591.5931, 501.0], [591.7628, 11.0], [592.5508, 22.0], [592.7785, 11.0], [599.7175, 11.0], [600.5924, 33.0], [601.2552, 11.0], [601.4679, 16.0], [601.5897, 22.0], [601.9985, 11.0], [602.2189, 16.0], [602.5872, 10000.0], [602.9508, 33.0], [603.1018, 11.0], [603.2811, 16.0], [603.3775, 11.0], [603.5897, 2456.0], [603.8242, 38.0], [604.1123, 22.0], [604.304, 11.0], [604.6012, 1208.0], [604.7916, 22.0], [604.9613, 11.0], [605.1772, 22.0], [605.6017, 245.0], [605.7446, 11.0], [605.8953, 11.0], [606.1135, 11.0], [606.6591, 16.0], [607.011, 11.0], [607.2876, 11.0], [607.8337, 11.0], [609.8047, 11.0], [618.516, 22.0], [618.6176, 11.0], [619.4426, 16.0], [619.622, 54.0], [620.2259, 22.0], [620.595, 4430.0], [620.895, 16.0], [620.9927, 11.0], [621.1835, 11.0], [621.6003, 834.0], [621.7812, 16.0], [621.9158, 11.0], [622.112, 11.0], [637.6305, 16.0], [638.6298, 44.0], [764.645, 44.0], [765.659, 16.0], [782.6458, 841.0], [782.8703, 16.0], [783.113, 16.0], [783.4271, 16.0], [783.6518, 348.0], [783.8413, 11.0], [800.6904, 22.0], [801.6756, 22.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 43:3;O2 | HexCer 18:2;O2/25:1 # [M+H]+  @RT 16.5 min (LMPTD00000335)", "MOLECULEMASS": "822.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "12", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "821.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "822.186300", "SPLASH": "splash10-03di-0090003000-4ec8cdd21e4be5ea6b9e"}, "peaks": [[105.0649, 22.0], [107.0809, 33.0], [109.1036, 22.0], [111.1196, 11.0], [117.0921, 11.0], [121.1027, 38.0], [123.1136, 16.0], [133.107, 22.0], [135.1188, 33.0], [137.1333, 11.0], [139.1347, 11.0], [151.1599, 16.0], [159.1281, 16.0], [160.082, 16.0], [161.1307, 38.0], [163.1499, 33.0], [177.1608, 22.0], [184.1708, 11.0], [191.1808, 11.0], [209.1961, 22.0], [212.2111, 11.0], [233.2345, 11.0], [237.2304, 16.0], [245.2239, 66.0], [248.2387, 22.0], [249.4137, 11.0], [250.2535, 994.0], [250.3573, 11.0], [250.5737, 11.0], [251.2504, 55.0], [252.2704, 27.0], [261.3937, 33.0], [261.6599, 11.0], [261.7452, 22.0], [261.8757, 11.0], [262.0012, 11.0], [262.1036, 16.0], [262.252, 10000.0], [262.4484, 55.0], [262.5775, 44.0], [262.778, 16.0], [262.8541, 22.0], [262.9269, 11.0], [263.0234, 22.0], [263.142, 11.0], [263.2561, 677.0], [263.3573, 16.0], [263.4346, 16.0], [263.5643, 11.0], [263.6554, 16.0], [264.2683, 333.0], [265.2712, 33.0], [276.2691, 110.0], [280.2626, 1255.0], [281.2723, 137.0], [282.2779, 33.0], [283.2766, 22.0], [294.2782, 22.0], [301.1621, 11.0], [307.2486, 11.0], [319.3581, 11.0], [341.0303, 11.0], [345.3456, 22.0], [349.3432, 11.0], [363.3657, 76.0], [364.3817, 11.0], [380.3902, 120.0], [392.3889, 33.0], [404.3922, 22.0], [412.3126, 11.0], [422.398, 44.0], [423.3984, 22.0], [424.3078, 11.0], [432.4385, 11.0], [442.3144, 98.0], [523.4785, 11.0], [524.4221, 11.0], [535.4763, 11.0], [542.5358, 11.0], [549.4809, 11.0], [551.5003, 22.0], [563.4829, 11.0], [569.4572, 16.0], [596.5568, 11.0], [612.6095, 415.0], [613.2327, 11.0], [613.6145, 98.0], [614.0415, 11.0], [624.6106, 1415.0], [624.9112, 11.0], [625.3385, 16.0], [625.6138, 229.0], [626.034, 11.0], [626.3149, 11.0], [626.6278, 404.0], [626.9662, 16.0], [627.6269, 87.0], [640.4644, 11.0], [641.5292, 11.0], [642.6219, 2101.0], [642.823, 11.0], [643.002, 22.0], [643.1658, 11.0], [643.2952, 11.0], [643.3987, 11.0], [643.6262, 448.0], [643.932, 11.0], [647.7543, 11.0], [786.6614, 16.0], [801.9402, 11.0], [804.6714, 911.0], [805.6796, 218.0], [821.6658, 16.0], [822.6587, 49.0], [823.6816, 27.0], [846.7007, 11.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "SHexCer 42:2;O2 | SHexCer 18:1;O2/24:1 # [M+H]+  @RT 8.4 min (LMPTD00000320)", "MOLECULEMASS": "890.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "13", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "889.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "890.186300", "SPLASH": "splash10-03di-0090004100-6fe44804ccdb6397778d"}, "peaks": [[100.0738, 3.0], [107.0877, 28.0], [108.0773, 3.0], [109.1016, 28.0], [111.1163, 17.0], [114.0775, 6.0], [117.0666, 5.0], [121.1038, 56.0], [122.1043, 3.0], [123.1173, 23.0], [125.1318, 8.0], [127.0418, 14.0], [128.1186, 6.0], [133.1095, 6.0], [135.1167, 43.0], [137.1362, 9.0], [139.0547, 3.0], [139.1269, 6.0], [141.138, 6.0], [144.0807, 3.0], [145.0499, 5.0], [149.0277, 3.0], [149.1316, 23.0], [151.1516, 9.0], [163.0605, 3.0], [163.1437, 9.0], [165.1644, 16.0], [170.147, 5.0], [177.1586, 6.0], [181.1975, 3.0], [183.1808, 3.0], [191.1773, 6.0], [198.1949, 9.0], [204.9635, 3.0], [207.1997, 6.0], [208.0132, 5.0], [208.1899, 5.0], [211.2066, 28.0], [211.5008, 5.0], [212.2286, 3.0], [214.0982, 3.0], [221.226, 5.0], [235.2497, 6.0], [236.2487, 3.0], [238.2353, 3.0], [239.2837, 3.0], [247.246, 81.0], [248.2431, 11.0], [249.2584, 5.0], [250.2598, 9.0], [251.4256, 8.0], [252.2688, 864.0], [252.454, 7.0], [252.8054, 3.0], [252.8476, 5.0], [253.0991, 3.0], [253.272, 74.0], [253.5392, 3.0], [253.6189, 3.0], [253.6757, 3.0], [254.3099, 3.0], [263.0403, 6.0], [263.2091, 3.0], [263.4005, 59.0], [263.7137, 3.0], [263.7897, 6.0], [263.8714, 12.0], [264.0319, 28.0], [264.1152, 12.0], [264.2685, 10000.0], [264.482, 14.0], [264.5465, 12.0], [264.6376, 19.0], [264.771, 22.0], [264.8524, 19.0], [264.9856, 11.0], [265.0742, 5.0], [265.2744, 1240.0], [265.442, 3.0], [265.6304, 9.0], [265.6981, 6.0], [265.7732, 6.0], [265.9277, 3.0], [266.003, 11.0], [266.0879, 9.0], [266.2106, 6.0], [266.2843, 127.0], [266.4849, 9.0], [266.652, 3.0], [266.7992, 3.0], [266.9737, 3.0], [267.116, 5.0], [267.2021, 6.0], [267.2841, 25.0], [267.4329, 6.0], [267.6443, 8.0], [267.7946, 3.0], [268.0117, 3.0], [268.244, 9.0], [268.371, 3.0], [268.8894, 3.0], [269.6429, 5.0], [270.02, 3.0], [270.4393, 3.0], [273.6791, 3.0], [273.7973, 3.0], [275.2343, 6.0], [277.2488, 3.0], [278.2558, 6.0], [279.2914, 3.0], [281.3536, 8.0], [281.8845, 3.0], [282.0485, 6.0], [282.2798, 1221.0], [282.481, 8.0], [282.5804, 3.0], [282.6871, 6.0], [283.2847, 121.0], [284.2363, 3.0], [285.3039, 5.0], [289.252, 3.0], [294.2898, 3.0], [295.3126, 3.0], [296.3004, 5.0], [306.2893, 5.0], [310.3145, 6.0], [319.2909, 3.0], [320.4589, 3.0], [324.2786, 3.0], [331.2521, 3.0], [331.3357, 16.0], [331.3914, 3.0], [337.2778, 3.0], [343.2632, 3.0], [347.3492, 3.0], [349.348, 73.0], [350.3468, 9.0], [353.2964, 3.0], [361.2678, 3.0], [362.2865, 5.0], [366.3746, 129.0], [366.4572, 3.0], [367.375, 26.0], [368.3576, 3.0], [368.5829, 3.0], [378.3745, 31.0], [379.3763, 9.0], [380.3408, 3.0], [390.2851, 3.0], [390.3729, 16.0], [391.3098, 3.0], [400.3986, 3.0], [408.3884, 47.0], [409.2944, 5.0], [409.3901, 16.0], [418.3972, 3.0], [426.3311, 12.0], [427.3075, 8.0], [433.3507, 3.0], [439.3721, 5.0], [444.3311, 168.0], [444.6708, 3.0], [445.3388, 26.0], [462.347, 3.0], [476.4174, 5.0], [483.4588, 3.0], [484.4577, 3.0], [534.8909, 3.0], [538.0814, 3.0], [548.5411, 3.0], [595.5699, 3.0], [598.6011, 3.0], [600.6112, 581.0], [601.3932, 3.0], [601.6114, 140.0], [602.0315, 3.0], [602.1442, 3.0], [604.1865, 3.0], [604.5377, 3.0], [608.9235, 3.0], [609.1628, 3.0], [609.5154, 3.0], [610.5802, 9.0], [611.1287, 5.0], [611.5774, 3.0], [612.0317, 3.0], [612.3679, 3.0], [612.6078, 1742.0], [612.8831, 9.0], [613.0507, 16.0], [613.3042, 3.0], [613.613, 421.0], [613.9084, 8.0], [614.0625, 6.0], [614.2816, 3.0], [614.6245, 479.0], [614.9056, 5.0], [615.0321, 3.0], [615.1713, 3.0], [615.3485, 3.0], [615.6287, 202.0], [615.9561, 3.0], [616.1026, 3.0], [616.2347, 3.0], [616.3234, 3.0], [616.4754, 3.0], [616.5767, 3.0], [617.5399, 3.0], [620.1925, 3.0], [620.8788, 3.0], [628.5527, 3.0], [628.6601, 3.0], [629.5124, 6.0], [629.7113, 3.0], [629.9118, 3.0], [630.0527, 3.0], [630.1808, 3.0], [630.3025, 3.0], [630.6182, 2231.0], [630.852, 9.0], [630.9641, 12.0], [631.1545, 3.0], [631.2603, 6.0], [631.443, 9.0], [631.6211, 632.0], [632.0007, 5.0], [632.1482, 5.0], [632.4768, 3.0], [632.7449, 3.0], [633.2558, 3.0], [633.6178, 5.0], [633.7976, 3.0], [642.6264, 3.0], [648.6428, 5.0], [655.5594, 3.0], [658.8815, 3.0], [672.6377, 6.0], [683.1714, 3.0], [762.6552, 3.0], [774.6635, 12.0], [775.6688, 5.0], [790.0733, 12.0], [791.1109, 8.0], [791.6314, 5.0], [791.7893, 6.0], [792.2, 5.0], [792.3398, 3.0], [792.6701, 2027.0], [793.038, 12.0], [793.3454, 16.0], [793.6719, 730.0], [793.9439, 9.0], [794.1968, 5.0], [794.4115, 11.0], [794.654, 5.0], [794.7926, 3.0], [794.9615, 6.0], [795.1954, 3.0], [795.2701, 3.0], [795.6558, 3.0], [796.03, 3.0], [796.6231, 3.0], [799.1855, 3.0], [890.6595, 5.0], [891.5978, 9.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "SHexCer 44:2;O3 | SHexCer 18:1;O2/26:1;O # [M+H]+  @RT 10.5 min (LMPTD00000317)", "MOLECULEMASS": "934.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "14", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "933.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "934.186300", "SPLASH": "splash10-08fr-0090007000-29bece38a74cd1c5f26a"}, "peaks": [[107.0931, 64.0], [109.1011, 128.0], [121.0989, 128.0], [135.1186, 128.0], [211.2104, 128.0], [247.2429, 383.0], [252.2679, 1084.0], [253.2747, 159.0], [264.2681, 10000.0], [264.5664, 64.0], [264.5996, 64.0], [265.2685, 957.0], [266.2731, 191.0], [270.3217, 383.0], [271.3186, 509.0], [272.3032, 64.0], [273.1491, 64.0], [282.2809, 1307.0], [283.2925, 96.0], [341.3415, 64.0], [347.3459, 64.0], [392.3908, 223.0], [410.3978, 254.0], [411.4055, 96.0], [422.404, 64.0], [444.334, 96.0], [452.4086, 223.0], [472.2319, 64.0], [611.6129, 64.0], [628.6338, 191.0], [640.6671, 64.0], [643.6277, 64.0], [644.6356, 1212.0], [645.6451, 287.0], [656.2702, 64.0], [656.6343, 5281.0], [657.0983, 128.0], [657.6392, 1467.0], [658.6516, 861.0], [659.6553, 446.0], [674.6459, 1467.0], [675.3319, 64.0], [675.6507, 765.0], [685.4325, 64.0], [828.5189, 64.0], [836.6976, 383.0], [837.7033, 128.0], [838.6799, 191.0], [934.5981, 64.0], [935.5809, 96.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 37:1;O2 | HexCer 18:1;O2/19:0 # [M+H]+  @RT 12.3 min (LMPTD00000324)", "MOLECULEMASS": "742.1862", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "15", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "741.1789", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "742.186200", "SPLASH": "splash10-03di-0090040100-941be87559405fe3bf22"}, "peaks": [[121.1018, 62.0], [149.1275, 31.0], [165.1623, 31.0], [247.2458, 154.0], [250.2548, 154.0], [252.2665, 754.0], [253.2717, 77.0], [254.2693, 46.0], [263.3963, 92.0], [264.2683, 10000.0], [264.7145, 62.0], [265.2724, 953.0], [266.2834, 123.0], [268.2708, 31.0], [278.2844, 615.0], [279.2887, 62.0], [282.2807, 1062.0], [282.5016, 31.0], [283.2808, 92.0], [284.3139, 31.0], [296.2992, 123.0], [298.311, 292.0], [430.3186, 31.0], [444.3278, 185.0], [458.3408, 31.0], [532.5477, 462.0], [533.5518, 92.0], [544.5446, 1692.0], [544.6937, 31.0], [545.5532, 292.0], [546.5562, 492.0], [547.5748, 77.0], [562.5556, 3446.0], [562.858, 62.0], [563.2696, 31.0], [563.5637, 677.0], [563.7419, 31.0], [580.5947, 31.0], [601.4935, 46.0], [685.4361, 338.0], [688.583, 31.0], [724.6088, 1630.0], [724.8058, 46.0], [725.6182, 554.0], [726.4605, 46.0], [742.5632, 77.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 40:1;O2 | HexCer 18:1;O2/22:0 # [M+H]+  @RT 19.4 min (LMPTD00000295)", "MOLECULEMASS": "784.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "17", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "783.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "784.186300", "SPLASH": "splash10-03di-0090022100-a54dcaef8e012bcaf92f"}, "peaks": [[109.0982, 51.0], [121.1021, 51.0], [123.1045, 51.0], [123.1253, 101.0], [175.1377, 76.0], [224.2315, 101.0], [236.2381, 1112.0], [237.241, 51.0], [250.2493, 354.0], [252.2671, 960.0], [253.2712, 51.0], [254.2546, 152.0], [263.3979, 51.0], [264.2688, 10000.0], [264.5086, 76.0], [265.2711, 910.0], [266.2789, 51.0], [268.2592, 51.0], [282.2794, 1162.0], [283.2894, 152.0], [305.3011, 51.0], [340.3563, 278.0], [341.3589, 51.0], [361.2663, 51.0], [368.38, 51.0], [396.3285, 51.0], [416.2941, 51.0], [444.332, 177.0], [511.3835, 51.0], [573.357, 51.0], [574.5876, 657.0], [575.6001, 51.0], [584.6636, 51.0], [586.5947, 1819.0], [587.595, 278.0], [588.6049, 606.0], [589.606, 152.0], [604.6039, 3183.0], [605.6047, 505.0], [643.5896, 76.0], [685.4421, 101.0], [766.6598, 1566.0], [767.6598, 556.0], [768.145, 51.0], [784.5708, 76.0], [784.678, 76.0], [785.6358, 51.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 44:1;O3 | HexCer 18:1;O2/26:0;O # [M+H]+  @RT 28.1 min (LMPTD00000308)", "MOLECULEMASS": "856.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "18", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "855.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "856.186300", "SPLASH": "splash10-08fr-0090006000-49615722d5defaca4686"}, "peaks": [[107.0827, 43.0], [109.1, 43.0], [111.1196, 43.0], [121.1069, 86.0], [123.1232, 43.0], [135.1153, 108.0], [151.1592, 43.0], [165.1623, 43.0], [211.198, 43.0], [247.236, 172.0], [251.9233, 43.0], [252.2676, 1551.0], [252.7905, 43.0], [253.2693, 172.0], [263.4124, 43.0], [264.1444, 43.0], [264.2684, 10000.0], [264.4518, 43.0], [265.2713, 1034.0], [266.2935, 86.0], [267.2852, 43.0], [276.2929, 43.0], [277.2605, 43.0], [278.2775, 65.0], [282.2814, 948.0], [283.2892, 172.0], [284.2938, 86.0], [292.2898, 108.0], [310.3019, 65.0], [377.3806, 43.0], [394.4039, 323.0], [412.4156, 819.0], [413.4126, 86.0], [424.4111, 43.0], [436.4195, 86.0], [444.3469, 43.0], [445.3412, 65.0], [447.9569, 43.0], [454.4309, 65.0], [523.4606, 43.0], [537.4882, 43.0], [628.6375, 65.0], [630.6653, 108.0], [631.6565, 43.0], [641.6415, 43.0], [646.6513, 1185.0], [647.6638, 215.0], [658.646, 4610.0], [658.9053, 65.0], [659.0962, 43.0], [659.5184, 43.0], [659.6552, 1465.0], [660.6628, 1077.0], [660.8843, 43.0], [661.6671, 43.0], [674.6745, 43.0], [676.6569, 1745.0], [677.6641, 451.0], [686.4425, 43.0], [771.6312, 43.0], [798.6632, 43.0], [838.7205, 430.0], [839.7028, 86.0], [855.7706, 43.0], [856.7476, 259.0], [857.7802, 65.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 44:1;O2 | HexCer 18:1;O2/26:0 # [M+H]+  @RT 29.2 min (LMPTD00000340)", "MOLECULEMASS": "840.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "19", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "839.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "840.186300", "SPLASH": "splash10-03di-0090003000-a6bf3f9ff0f0b0fcc293"}, "peaks": [[107.085, 22.0], [109.1023, 56.0], [121.0989, 56.0], [133.0836, 22.0], [135.1244, 45.0], [137.1329, 22.0], [149.1427, 22.0], [178.1612, 22.0], [211.204, 22.0], [233.1797, 22.0], [247.2486, 79.0], [252.268, 731.0], [253.273, 90.0], [263.2773, 22.0], [264.0422, 22.0], [264.2679, 10000.0], [264.3822, 22.0], [264.4734, 45.0], [264.6182, 45.0], [264.8849, 22.0], [265.0379, 22.0], [265.1708, 22.0], [265.269, 787.0], [265.5615, 22.0], [265.7777, 34.0], [266.2677, 34.0], [267.5606, 22.0], [282.2801, 1237.0], [283.2779, 90.0], [292.2987, 225.0], [310.311, 22.0], [393.243, 22.0], [396.416, 304.0], [411.3231, 34.0], [413.4678, 22.0], [420.4371, 22.0], [444.3294, 112.0], [521.4527, 22.0], [537.4883, 45.0], [538.4941, 22.0], [540.4138, 22.0], [550.506, 22.0], [551.4904, 22.0], [552.5069, 22.0], [560.8849, 22.0], [563.5341, 22.0], [614.6127, 22.0], [630.6499, 360.0], [631.6589, 45.0], [642.6548, 1371.0], [642.87, 34.0], [643.4134, 34.0], [643.6586, 247.0], [644.6669, 562.0], [645.6688, 101.0], [660.6642, 2050.0], [661.6603, 315.0], [755.588, 22.0], [804.6581, 22.0], [822.7102, 853.0], [823.7132, 292.0], [839.745, 22.0], [840.7392, 112.0], [841.7204, 112.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 43:2;O3 | HexCer 18:1;O2/25:1;O # [M+H]+  @RT 20.5 min (LMPTD00000353)", "MOLECULEMASS": "840.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "20", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "839.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "840.186300", "SPLASH": "splash10-03dl-0090007000-98022f19cab5a3ca0bfc"}, "peaks": [[107.0861, 32.0], [108.0826, 14.0], [109.1008, 87.0], [111.1174, 27.0], [112.122, 9.0], [121.1007, 119.0], [121.2434, 9.0], [122.1044, 9.0], [123.1152, 82.0], [125.131, 18.0], [127.0354, 27.0], [133.0899, 23.0], [135.1166, 128.0], [136.1167, 9.0], [137.1337, 37.0], [145.0871, 9.0], [148.058, 9.0], [149.1331, 41.0], [151.151, 46.0], [163.1512, 18.0], [165.1614, 27.0], [170.1767, 9.0], [178.1567, 18.0], [179.1824, 18.0], [181.1912, 18.0], [183.1779, 14.0], [193.1928, 9.0], [197.1803, 18.0], [198.2184, 37.0], [201.7123, 9.0], [203.0986, 9.0], [205.1907, 9.0], [211.208, 92.0], [221.2245, 18.0], [224.181, 9.0], [231.194, 9.0], [233.2138, 18.0], [236.2291, 9.0], [238.2501, 60.0], [240.2565, 9.0], [247.244, 302.0], [248.2477, 23.0], [249.2531, 18.0], [250.255, 339.0], [251.2612, 55.0], [251.4437, 18.0], [252.111, 9.0], [252.2676, 1540.0], [252.4635, 18.0], [252.5568, 9.0], [253.1328, 9.0], [253.2715, 124.0], [254.2818, 18.0], [256.2202, 27.0], [262.3387, 9.0], [263.2799, 14.0], [263.407, 27.0], [263.6128, 14.0], [263.7536, 14.0], [263.8531, 9.0], [264.0664, 27.0], [264.2685, 10000.0], [264.5128, 37.0], [264.6061, 18.0], [264.6991, 14.0], [264.7868, 27.0], [264.8983, 9.0], [264.973, 9.0], [265.0582, 27.0], [265.2693, 1067.0], [265.4874, 9.0], [265.6129, 18.0], [265.6628, 18.0], [265.8583, 9.0], [265.9955, 14.0], [266.0871, 18.0], [266.2833, 137.0], [267.2811, 14.0], [267.4203, 9.0], [268.2569, 37.0], [277.2453, 14.0], [278.2827, 23.0], [281.3636, 9.0], [282.2801, 1358.0], [282.4824, 14.0], [282.5887, 9.0], [282.6402, 9.0], [282.7603, 18.0], [283.2782, 92.0], [283.3611, 9.0], [284.2669, 27.0], [289.2535, 9.0], [294.2838, 9.0], [299.2778, 14.0], [308.2764, 9.0], [310.2682, 14.0], [312.3657, 9.0], [317.2993, 9.0], [319.2835, 9.0], [322.2807, 9.0], [324.2988, 9.0], [326.3232, 9.0], [333.3485, 23.0], [336.2872, 9.0], [336.3621, 9.0], [343.3367, 9.0], [350.2956, 14.0], [351.3609, 64.0], [361.2561, 9.0], [361.3489, 46.0], [375.3844, 9.0], [378.376, 200.0], [379.3755, 18.0], [380.3895, 55.0], [381.3943, 9.0], [390.3077, 9.0], [390.3712, 18.0], [391.2961, 14.0], [392.3827, 23.0], [392.8619, 9.0], [394.3904, 9.0], [396.3821, 307.0], [397.3951, 27.0], [405.3266, 9.0], [406.375, 23.0], [408.3875, 137.0], [410.4019, 9.0], [414.3121, 9.0], [419.364, 9.0], [420.378, 46.0], [421.3828, 9.0], [422.4224, 9.0], [426.3255, 9.0], [434.4023, 18.0], [438.3916, 133.0], [439.3868, 14.0], [439.7386, 9.0], [444.3306, 105.0], [447.1085, 9.0], [452.4102, 14.0], [460.3958, 9.0], [471.1948, 9.0], [504.438, 9.0], [518.4796, 9.0], [518.7561, 9.0], [541.3685, 9.0], [553.4843, 9.0], [576.5736, 9.0], [577.5762, 9.0], [585.5921, 18.0], [591.5293, 9.0], [596.6006, 32.0], [597.593, 9.0], [602.6192, 27.0], [612.6037, 37.0], [613.6024, 9.0], [614.6153, 119.0], [615.6245, 37.0], [624.6152, 41.0], [625.6087, 9.0], [628.5088, 9.0], [629.5197, 9.0], [630.3136, 9.0], [630.6195, 1538.0], [631.1336, 14.0], [631.3387, 14.0], [631.6225, 339.0], [635.499, 9.0], [640.4559, 18.0], [641.3644, 9.0], [641.6242, 27.0], [642.1528, 14.0], [642.3079, 9.0], [642.6189, 5842.0], [642.9675, 27.0], [643.1918, 18.0], [643.4787, 23.0], [643.6231, 1134.0], [643.8691, 9.0], [644.0233, 9.0], [644.2464, 9.0], [644.6363, 935.0], [644.7994, 9.0], [644.9177, 14.0], [645.402, 9.0], [645.6392, 247.0], [646.2706, 9.0], [647.0565, 9.0], [647.9189, 9.0], [652.6285, 9.0], [659.5415, 9.0], [660.3541, 9.0], [660.459, 9.0], [660.6267, 2742.0], [661.0518, 9.0], [661.1847, 9.0], [661.3246, 9.0], [661.6319, 513.0], [662.2696, 14.0], [662.5979, 9.0], [662.9394, 9.0], [755.5125, 14.0], [790.6251, 9.0], [804.6821, 9.0], [822.686, 330.0], [823.6855, 110.0], [839.6431, 14.0], [840.6868, 37.0], [841.6992, 9.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "SHexCer 44:2;O2 | SHexCer 18:1;O2/26:1 # [M+H]+  @RT 11.1 min (LMPTD00000329)", "MOLECULEMASS": "918.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "21", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "917.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "918.186300", "SPLASH": "splash10-03di-0090003010-246f6d2d8bbb0ed428d1"}, "peaks": [[107.0864, 24.0], [109.1033, 19.0], [110.1044, 10.0], [111.1163, 14.0], [121.0987, 48.0], [135.1156, 43.0], [137.1329, 10.0], [145.0414, 10.0], [149.1293, 19.0], [151.1504, 10.0], [153.157, 10.0], [163.1493, 10.0], [165.1691, 19.0], [170.1567, 10.0], [184.2531, 10.0], [198.2234, 10.0], [211.2078, 28.0], [219.2128, 10.0], [239.1505, 14.0], [247.2452, 96.0], [252.2683, 708.0], [253.2721, 91.0], [256.2919, 10.0], [263.1572, 10.0], [263.2566, 10.0], [263.4044, 28.0], [263.5215, 10.0], [263.8245, 10.0], [263.8916, 10.0], [263.9897, 19.0], [264.2683, 10000.0], [264.4483, 19.0], [264.5064, 19.0], [264.5785, 28.0], [264.6823, 19.0], [264.8068, 19.0], [265.0344, 19.0], [265.1307, 19.0], [265.2732, 1274.0], [265.4698, 19.0], [265.5573, 24.0], [265.7125, 10.0], [265.8456, 14.0], [265.9454, 14.0], [266.2805, 56.0], [266.8281, 14.0], [267.1699, 10.0], [280.2674, 10.0], [282.0142, 10.0], [282.1839, 10.0], [282.2791, 1092.0], [282.4342, 10.0], [283.2866, 86.0], [292.3072, 14.0], [293.2972, 10.0], [319.256, 10.0], [324.3078, 10.0], [355.086, 10.0], [359.3674, 19.0], [377.3779, 62.0], [378.3654, 14.0], [383.8933, 10.0], [393.3877, 10.0], [394.4087, 100.0], [395.404, 24.0], [408.3003, 10.0], [409.2905, 10.0], [418.4021, 38.0], [426.3253, 10.0], [434.4159, 10.0], [436.4174, 67.0], [444.3283, 114.0], [445.33, 10.0], [506.2613, 10.0], [628.6423, 440.0], [629.6444, 86.0], [638.5043, 10.0], [640.4728, 10.0], [640.6373, 1490.0], [640.952, 10.0], [641.3769, 10.0], [641.6432, 401.0], [641.961, 10.0], [642.6554, 593.0], [643.0707, 10.0], [643.2, 19.0], [643.6588, 143.0], [643.9766, 10.0], [658.6496, 1723.0], [658.8948, 19.0], [659.135, 10.0], [659.6505, 526.0], [660.0391, 14.0], [749.6617, 10.0], [782.5912, 10.0], [819.2192, 10.0], [819.6636, 10.0], [820.7006, 1343.0], [820.987, 10.0], [821.2941, 10.0], [821.4257, 10.0], [821.5719, 10.0], [821.7083, 612.0], [823.2314, 10.0], [918.6785, 10.0], [919.7458, 10.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:3;O3 | HexCer 18:1;O2/24:2;O # [M+H]+  | HexCer 42:3;O3 | HexCer 18:2;O2/24:1;O # [M+H]+  @RT 13.1 min (LMPTD00000327)", "MOLECULEMASS": "824.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "22", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "823.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "824.186300", "SPLASH": "splash10-03fr-0090008000-b418e28a9b285f24ad14"}, "peaks": [[105.0747, 42.0], [107.0855, 31.0], [109.1028, 177.0], [111.1199, 73.0], [117.0664, 21.0], [119.0876, 42.0], [121.1035, 167.0], [123.1171, 146.0], [125.1313, 42.0], [128.1069, 21.0], [131.0863, 21.0], [133.0975, 21.0], [135.1169, 125.0], [137.1336, 94.0], [145.0533, 21.0], [147.1142, 42.0], [149.1347, 63.0], [161.1376, 21.0], [163.1537, 63.0], [165.1686, 21.0], [175.1029, 21.0], [175.1541, 21.0], [177.107, 21.0], [177.1613, 42.0], [179.1811, 31.0], [189.1741, 21.0], [191.1766, 42.0], [193.195, 21.0], [194.1819, 21.0], [198.2219, 21.0], [209.1909, 94.0], [211.2058, 42.0], [212.5926, 21.0], [221.1953, 42.0], [226.224, 21.0], [233.2284, 84.0], [236.2447, 42.0], [238.1832, 21.0], [239.2519, 21.0], [245.2267, 229.0], [246.2307, 21.0], [247.2456, 125.0], [249.2501, 21.0], [250.254, 1127.0], [250.4597, 21.0], [251.2518, 146.0], [252.2664, 731.0], [252.6445, 21.0], [253.2708, 63.0], [255.2787, 21.0], [261.2722, 31.0], [261.3832, 63.0], [261.9736, 21.0], [262.0665, 52.0], [262.2522, 9228.0], [262.501, 65.0], [262.5801, 31.0], [262.6595, 21.0], [262.8166, 21.0], [263.0896, 21.0], [263.1558, 21.0], [263.2566, 678.0], [263.3876, 31.0], [263.487, 31.0], [263.6858, 21.0], [263.8241, 21.0], [264.0469, 23.0], [264.2681, 5395.0], [264.49, 42.0], [264.786, 52.0], [264.9465, 31.0], [265.2731, 585.0], [265.4949, 21.0], [265.8208, 21.0], [266.2836, 188.0], [267.2935, 31.0], [268.3038, 21.0], [270.2496, 21.0], [273.2232, 21.0], [277.2946, 31.0], [280.2622, 1002.0], [281.2677, 94.0], [282.2774, 866.0], [283.2815, 63.0], [290.2454, 21.0], [291.298, 21.0], [294.2556, 21.0], [298.2705, 31.0], [305.3025, 21.0], [312.2914, 21.0], [315.3009, 21.0], [317.3219, 42.0], [319.3374, 94.0], [322.2654, 21.0], [323.3143, 21.0], [324.2892, 21.0], [326.2841, 21.0], [329.3176, 21.0], [335.3313, 21.0], [337.3406, 52.0], [347.326, 31.0], [362.3424, 63.0], [364.3562, 125.0], [366.3721, 42.0], [376.3569, 31.0], [377.3414, 21.0], [378.3629, 63.0], [380.2607, 21.0], [380.3453, 42.0], [382.3701, 313.0], [383.3695, 84.0], [389.3015, 21.0], [392.3579, 63.0], [394.3695, 125.0], [404.3432, 31.0], [405.3338, 21.0], [406.3678, 31.0], [407.3701, 21.0], [418.3688, 21.0], [420.3774, 42.0], [422.3625, 63.0], [423.375, 42.0], [424.3747, 94.0], [425.3747, 21.0], [432.3736, 21.0], [442.3137, 125.0], [444.3283, 63.0], [446.404, 21.0], [474.4256, 21.0], [478.4792, 21.0], [514.4405, 21.0], [525.4923, 21.0], [537.5089, 21.0], [544.5091, 21.0], [551.5089, 42.0], [560.5476, 31.0], [561.5385, 21.0], [565.5401, 21.0], [566.5184, 21.0], [580.5856, 42.0], [581.5724, 21.0], [584.596, 31.0], [586.5877, 63.0], [587.6056, 42.0], [596.579, 63.0], [597.4828, 31.0], [598.5939, 188.0], [599.595, 63.0], [608.5768, 94.0], [609.5596, 21.0], [610.5706, 21.0], [612.4908, 21.0], [614.5846, 2238.0], [615.5893, 407.0], [616.6012, 21.0], [624.5471, 42.0], [625.5107, 84.0], [625.7564, 21.0], [626.0053, 21.0], [626.1195, 42.0], [626.3436, 21.0], [626.5838, 10000.0], [626.8544, 42.0], [627.0771, 21.0], [627.2121, 31.0], [627.3399, 21.0], [627.5892, 1916.0], [627.9023, 21.0], [628.0302, 63.0], [628.1708, 21.0], [628.4508, 21.0], [628.6, 1294.0], [629.6094, 271.0], [632.2718, 21.0], [642.4919, 21.0], [644.5981, 3686.0], [644.96, 21.0], [645.3055, 31.0], [645.5999, 668.0], [646.9525, 21.0], [650.0651, 21.0], [683.5783, 21.0], [686.6019, 21.0], [755.5476, 21.0], [756.5517, 21.0], [788.627, 21.0], [789.6507, 21.0], [806.6508, 480.0], [807.6478, 188.0], [823.638, 31.0], [824.6648, 84.0], [825.5324, 21.0], [825.6545, 21.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 41:2;O2 | HexCer 17:1;O2/24:1 # [M+H]+  | HexCer 41:2;O2 | HexCer 18:1;O2/23:1 # [M+H]+  @RT 16.4 min (LMPTD00000315)", "MOLECULEMASS": "796.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "23", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "795.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "796.186300", "SPLASH": "splash10-03di-0090012000-b37ba0e02094db14a6fa"}, "peaks": [[105.0648, 12.0], [107.0864, 31.0], [109.102, 62.0], [121.0997, 56.0], [133.086, 12.0], [135.1221, 31.0], [137.1338, 19.0], [145.0529, 31.0], [149.1353, 25.0], [152.1204, 12.0], [153.1478, 12.0], [184.2082, 12.0], [194.3529, 19.0], [196.1923, 12.0], [198.2198, 12.0], [211.2042, 62.0], [219.2078, 12.0], [224.2393, 31.0], [233.2246, 25.0], [236.2377, 379.0], [237.2394, 50.0], [238.2521, 186.0], [239.2496, 31.0], [240.2555, 25.0], [247.2446, 124.0], [248.2493, 12.0], [249.1458, 12.0], [249.8872, 12.0], [249.984, 12.0], [250.2543, 2180.0], [250.4036, 12.0], [250.467, 25.0], [250.6039, 12.0], [251.2588, 168.0], [251.4434, 25.0], [252.2687, 819.0], [252.5071, 12.0], [253.2697, 62.0], [253.3184, 12.0], [254.2536, 75.0], [261.2726, 19.0], [263.2349, 12.0], [263.3086, 12.0], [263.3942, 62.0], [263.6365, 12.0], [263.7276, 12.0], [263.7889, 19.0], [263.8685, 25.0], [264.0103, 31.0], [264.113, 12.0], [264.2687, 10000.0], [264.4854, 12.0], [264.567, 25.0], [264.7088, 37.0], [264.7643, 19.0], [264.8426, 19.0], [264.9303, 12.0], [264.9968, 19.0], [265.0798, 12.0], [265.1297, 12.0], [265.2726, 907.0], [265.512, 12.0], [265.8712, 12.0], [266.011, 12.0], [266.0823, 12.0], [266.1608, 12.0], [266.2897, 81.0], [267.3107, 12.0], [268.263, 286.0], [268.6469, 12.0], [269.0485, 12.0], [269.2661, 12.0], [277.2384, 12.0], [281.3708, 19.0], [282.2798, 1320.0], [283.2812, 99.0], [292.2658, 12.0], [305.2953, 12.0], [317.3249, 12.0], [335.3323, 99.0], [349.3395, 12.0], [352.3522, 118.0], [353.8644, 12.0], [364.3608, 25.0], [366.381, 62.0], [376.3593, 31.0], [378.3786, 31.0], [380.4006, 12.0], [390.3659, 12.0], [391.314, 12.0], [394.3678, 37.0], [408.3754, 12.0], [422.3653, 12.0], [426.338, 25.0], [444.3304, 81.0], [445.3275, 25.0], [523.4785, 12.0], [537.483, 37.0], [586.5917, 522.0], [587.5995, 112.0], [587.7343, 12.0], [598.5918, 1564.0], [599.0311, 19.0], [599.131, 12.0], [599.2684, 12.0], [599.5957, 292.0], [600.6109, 609.0], [601.6154, 106.0], [605.2657, 12.0], [616.6025, 3306.0], [616.8629, 25.0], [617.0077, 12.0], [617.126, 37.0], [617.371, 12.0], [617.6073, 733.0], [617.8098, 25.0], [618.3941, 25.0], [619.5195, 12.0], [655.5857, 19.0], [739.5692, 25.0], [753.5168, 12.0], [778.3667, 12.0], [778.6543, 1330.0], [778.8863, 12.0], [779.1355, 19.0], [779.3207, 12.0], [779.6578, 360.0], [780.1327, 19.0], [796.5486, 31.0], [797.6552, 87.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:3;O3 | HexCer 18:1;O2/24:2;O # [M+H]+  @RT 13.3 min (LMPTD00000346)", "MOLECULEMASS": "824.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "26", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "823.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "824.186300", "SPLASH": "splash10-03fr-0090006000-fdc17bef39478dcbab83"}, "peaks": [[109.101, 109.0], [121.0975, 87.0], [123.1172, 87.0], [133.098, 87.0], [135.1165, 175.0], [137.128, 44.0], [149.1274, 87.0], [163.1397, 66.0], [165.1667, 66.0], [175.1279, 44.0], [183.1746, 44.0], [189.1581, 44.0], [200.1648, 44.0], [205.194, 44.0], [207.2129, 44.0], [211.2136, 131.0], [238.2365, 44.0], [247.2375, 262.0], [250.2533, 306.0], [252.2684, 1310.0], [253.2756, 44.0], [254.23, 44.0], [262.2544, 1266.0], [263.2589, 109.0], [264.2686, 10000.0], [264.4005, 66.0], [264.5897, 44.0], [264.8404, 66.0], [265.2685, 742.0], [266.2807, 197.0], [266.6702, 44.0], [280.2647, 175.0], [282.2816, 1157.0], [283.2795, 131.0], [292.2638, 44.0], [308.2498, 44.0], [312.2775, 44.0], [317.3313, 66.0], [333.3282, 44.0], [335.3299, 44.0], [345.3251, 44.0], [347.342, 44.0], [349.2654, 44.0], [362.3457, 109.0], [364.3564, 44.0], [371.3232, 44.0], [373.2681, 44.0], [376.3385, 44.0], [381.1498, 44.0], [386.3368, 44.0], [392.3489, 109.0], [406.365, 44.0], [422.3635, 87.0], [426.3409, 66.0], [444.3266, 87.0], [522.7406, 44.0], [551.5007, 87.0], [569.5393, 44.0], [581.5561, 44.0], [596.5659, 44.0], [598.5988, 87.0], [599.5887, 87.0], [601.5483, 44.0], [608.5833, 44.0], [613.5602, 44.0], [614.5873, 1397.0], [614.7715, 44.0], [615.5957, 328.0], [615.7532, 44.0], [624.5633, 66.0], [626.5856, 4969.0], [627.5895, 1441.0], [628.5996, 721.0], [628.7268, 44.0], [629.6197, 240.0], [644.6012, 2227.0], [645.6032, 437.0], [762.5054, 218.0], [806.6503, 524.0], [807.6697, 87.0], [824.5297, 44.0], [825.5945, 87.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 44:2;O2 | HexCer 18:1;O2/26:1 # [M+H]+  | HexCer 44:2;O2 | HexCer 20:1;O2/24:1 # [M+H]+  @RT 24.5 min (LMPTD00000331)", "MOLECULEMASS": "838.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "27", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "837.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "838.186300", "SPLASH": "splash10-08fr-0090005010-3a1436e1b8279062b81e"}, "peaks": [[100.0739, 1.0], [101.0254, 1.0], [101.088, 1.0], [103.033, 1.0], [105.0596, 1.0], [107.0879, 25.0], [108.0818, 5.0], [109.0288, 2.0], [109.1021, 44.0], [110.1008, 3.0], [111.1165, 25.0], [111.9299, 1.0], [113.0965, 4.0], [114.0949, 4.0], [115.0424, 3.0], [119.0872, 3.0], [120.7214, 3.0], [121.101, 79.0], [122.1068, 3.0], [123.1169, 27.0], [123.5348, 1.0], [124.122, 1.0], [125.1305, 9.0], [126.0596, 1.0], [127.0401, 14.0], [127.1158, 1.0], [128.1083, 4.0], [129.0547, 1.0], [133.1018, 3.0], [135.1171, 82.0], [136.1197, 3.0], [137.1353, 16.0], [138.1358, 1.0], [139.1434, 5.0], [141.1223, 3.0], [142.1205, 4.0], [145.0508, 11.0], [146.0471, 1.0], [147.06, 2.0], [149.1332, 27.0], [149.2771, 1.0], [150.1358, 1.0], [150.9147, 1.0], [151.1467, 18.0], [152.1267, 2.0], [153.1445, 5.0], [155.1495, 1.0], [156.1436, 4.0], [157.0745, 1.0], [159.1145, 1.0], [161.1416, 1.0], [163.067, 2.0], [163.1526, 15.0], [163.7491, 1.0], [164.3634, 1.0], [165.1673, 15.0], [167.0626, 2.0], [167.1616, 4.0], [169.1529, 3.0], [170.1763, 1.0], [171.1761, 1.0], [171.9981, 1.0], [173.1039, 1.0], [175.137, 3.0], [176.1309, 1.0], [177.1665, 8.0], [179.1811, 3.0], [180.1787, 1.0], [181.161, 3.0], [182.1948, 1.0], [184.1864, 5.0], [185.1472, 2.0], [187.7107, 1.0], [188.1233, 1.0], [191.1796, 9.0], [192.0765, 1.0], [192.1716, 3.0], [192.9472, 1.0], [193.0833, 1.0], [193.1916, 8.0], [193.2875, 2.0], [194.8552, 1.0], [195.0577, 1.0], [195.1817, 2.0], [195.9106, 1.0], [196.0494, 1.0], [196.2352, 1.0], [196.5712, 1.0], [196.7071, 1.0], [197.0937, 2.0], [197.1861, 4.0], [197.3158, 1.0], [197.6384, 1.0], [197.7102, 1.0], [198.0977, 1.0], [198.2162, 11.0], [199.0611, 1.0], [200.2217, 1.0], [200.5178, 1.0], [201.1107, 1.0], [201.2047, 1.0], [202.0668, 2.0], [202.3964, 1.0], [202.8276, 1.0], [202.8944, 3.0], [203.2143, 1.0], [204.9855, 3.0], [205.1316, 1.0], [205.1954, 3.0], [205.2529, 2.0], [205.7824, 2.0], [205.8703, 1.0], [206.0753, 2.0], [206.1925, 1.0], [206.2584, 1.0], [206.383, 1.0], [206.5369, 3.0], [206.757, 1.0], [206.9111, 1.0], [207.0872, 1.0], [207.1166, 1.0], [207.2084, 3.0], [207.5868, 3.0], [207.675, 1.0], [207.7191, 1.0], [208.006, 1.0], [208.0575, 1.0], [208.1605, 1.0], [208.2268, 1.0], [208.2857, 1.0], [208.3991, 1.0], [208.4698, 3.0], [209.0152, 1.0], [209.0848, 2.0], [209.1923, 1.0], [209.2471, 1.0], [209.4551, 2.0], [209.8189, 3.0], [210.2148, 3.0], [210.3302, 2.0], [210.4708, 1.0], [210.6485, 2.0], [210.804, 2.0], [211.056, 1.0], [211.2057, 70.0], [211.2784, 1.0], [211.4861, 1.0], [212.08, 2.0], [212.209, 14.0], [212.8237, 2.0], [213.1513, 1.0], [213.2456, 4.0], [214.2178, 2.0], [214.7931, 1.0], [215.1928, 1.0], [215.7063, 1.0], [216.0661, 1.0], [216.5764, 3.0], [217.388, 1.0], [217.8095, 2.0], [218.5329, 2.0], [219.031, 2.0], [219.2175, 4.0], [220.2104, 1.0], [221.2261, 5.0], [221.431, 1.0], [222.2213, 1.0], [223.2263, 1.0], [223.745, 1.0], [223.8824, 1.0], [224.6802, 1.0], [225.2312, 1.0], [226.2167, 4.0], [227.2263, 3.0], [231.212, 1.0], [232.055, 2.0], [233.2223, 2.0], [235.256, 5.0], [235.9415, 1.0], [236.2378, 4.0], [236.9771, 1.0], [237.2159, 1.0], [238.1173, 1.0], [238.2564, 4.0], [239.2466, 3.0], [240.2341, 8.0], [243.1904, 2.0], [245.2283, 2.0], [246.4393, 3.0], [247.243, 183.0], [247.3477, 3.0], [247.4816, 1.0], [247.6663, 1.0], [247.859, 1.0], [248.2463, 16.0], [249.2478, 3.0], [250.2616, 2.0], [250.8883, 2.0], [251.2415, 2.0], [251.4411, 9.0], [251.8023, 1.0], [251.8913, 1.0], [251.9399, 1.0], [252.0093, 1.0], [252.1158, 3.0], [252.2684, 1607.0], [252.4944, 14.0], [252.5999, 5.0], [252.705, 1.0], [252.7936, 6.0], [253.1261, 3.0], [253.272, 111.0], [253.3671, 3.0], [253.4376, 1.0], [253.5459, 3.0], [253.6434, 3.0], [253.7344, 3.0], [253.8417, 2.0], [254.0335, 1.0], [254.2613, 8.0], [254.4356, 1.0], [254.5705, 1.0], [254.9369, 1.0], [255.0876, 3.0], [255.2765, 1.0], [259.2362, 1.0], [261.2578, 4.0], [262.1027, 1.0], [262.2514, 4.0], [262.3439, 3.0], [262.4533, 3.0], [262.7881, 1.0], [262.899, 1.0], [263.0262, 3.0], [263.0922, 3.0], [263.148, 1.0], [263.2819, 8.0], [263.3986, 111.0], [263.8562, 18.0], [264.0249, 46.0], [264.2675, 10000.0], [264.4746, 16.0], [264.5574, 5.0], [264.6784, 24.0], [264.8285, 30.0], [264.9642, 13.0], [265.025, 22.0], [265.1093, 23.0], [265.2718, 2032.0], [265.5358, 38.0], [265.8112, 36.0], [266.0508, 13.0], [266.1354, 8.0], [266.2818, 165.0], [266.4733, 8.0], [266.5615, 4.0], [266.659, 3.0], [266.7357, 8.0], [266.8369, 6.0], [266.931, 4.0], [267.0531, 4.0], [267.1725, 4.0], [267.2857, 22.0], [267.4775, 3.0], [267.6106, 3.0], [267.685, 1.0], [267.8448, 3.0], [267.8991, 4.0], [268.0975, 3.0], [268.1712, 3.0], [268.2708, 11.0], [268.4267, 3.0], [268.5349, 4.0], [268.7808, 1.0], [268.8505, 3.0], [268.9523, 3.0], [269.0401, 1.0], [269.0987, 1.0], [269.1694, 3.0], [269.2494, 2.0], [269.3714, 1.0], [269.4545, 1.0], [269.581, 1.0], [269.7567, 1.0], [269.874, 1.0], [269.981, 1.0], [270.0956, 1.0], [270.2429, 1.0], [270.3296, 1.0], [270.4646, 1.0], [270.6157, 1.0], [270.8759, 2.0], [270.9729, 3.0], [271.0439, 2.0], [271.2335, 2.0], [271.454, 1.0], [271.822, 1.0], [272.4124, 3.0], [272.5747, 2.0], [273.2659, 3.0], [274.2704, 2.0], [275.2733, 6.0], [275.6324, 1.0], [276.2841, 2.0], [276.3613, 1.0], [277.1931, 1.0], [277.2637, 4.0], [278.1708, 1.0], [278.2841, 75.0], [278.5028, 1.0], [279.2767, 9.0], [279.679, 1.0], [279.9931, 1.0], [280.3032, 25.0], [280.4884, 1.0], [280.6297, 1.0], [280.8747, 1.0], [280.9945, 2.0], [281.1826, 1.0], [281.234, 1.0], [281.3446, 10.0], [281.5352, 1.0], [281.6144, 3.0], [281.8075, 6.0], [281.9189, 2.0], [282.0045, 4.0], [282.0559, 3.0], [282.2794, 2658.0], [282.5006, 8.0], [282.5715, 4.0], [282.6292, 3.0], [282.6864, 4.0], [282.7578, 4.0], [282.8659, 5.0], [282.9477, 1.0], [283.0487, 3.0], [283.1504, 3.0], [283.2824, 224.0], [283.4491, 1.0], [283.5488, 2.0], [283.7241, 3.0], [283.8203, 2.0], [283.9785, 3.0], [284.1402, 1.0], [284.2938, 1.0], [284.4731, 1.0], [284.5333, 1.0], [284.6753, 2.0], [285.1567, 4.0], [285.261, 2.0], [285.4592, 1.0], [285.6489, 1.0], [286.2441, 1.0], [286.6241, 1.0], [286.9524, 1.0], [287.25, 1.0], [287.5144, 1.0], [288.4495, 1.0], [289.039, 1.0], [289.2635, 6.0], [291.2672, 3.0], [292.0479, 1.0], [292.3007, 308.0], [292.5049, 1.0], [292.5887, 2.0], [292.9291, 1.0], [293.0951, 1.0], [293.302, 16.0], [294.2855, 4.0], [296.2926, 19.0], [297.285, 1.0], [299.3734, 1.0], [300.027, 3.0], [301.2566, 1.0], [303.2879, 3.0], [303.4923, 1.0], [304.3194, 1.0], [305.2867, 3.0], [305.9414, 1.0], [306.2181, 1.0], [306.2824, 5.0], [307.2653, 4.0], [310.1948, 1.0], [310.3083, 42.0], [310.6713, 1.0], [311.3152, 3.0], [313.2755, 2.0], [314.2967, 1.0], [315.3015, 2.0], [316.2716, 1.0], [317.3159, 1.0], [318.2799, 2.0], [319.266, 3.0], [319.7927, 1.0], [320.2946, 1.0], [321.3142, 4.0], [322.3157, 1.0], [323.9114, 1.0], [324.3289, 5.0], [324.7108, 1.0], [325.327, 1.0], [327.29, 1.0], [329.2867, 3.0], [330.2873, 1.0], [331.2616, 4.0], [331.3385, 3.0], [331.6145, 1.0], [332.2745, 3.0], [332.4512, 1.0], [333.2771, 3.0], [334.305, 1.0], [335.2852, 1.0], [336.2708, 1.0], [337.2739, 1.0], [338.3509, 3.0], [339.3142, 1.0], [340.3488, 2.0], [341.979, 2.0], [342.285, 1.0], [343.287, 3.0], [345.2767, 3.0], [345.5831, 1.0], [348.3466, 1.0], [349.2747, 4.0], [349.3363, 2.0], [350.2937, 1.0], [351.2875, 1.0], [352.3523, 3.0], [354.2869, 2.0], [355.2671, 2.0], [356.2679, 1.0], [359.3697, 41.0], [360.2851, 2.0], [360.3671, 5.0], [361.2761, 3.0], [362.3743, 1.0], [363.3031, 1.0], [363.7311, 1.0], [364.1301, 1.0], [364.2859, 1.0], [364.8509, 2.0], [366.3773, 3.0], [367.3793, 1.0], [373.2752, 3.0], [374.2761, 1.0], [375.0858, 1.0], [375.3687, 3.0], [376.1142, 1.0], [376.3757, 1.0], [376.5298, 1.0], [376.6486, 1.0], [377.1736, 1.0], [377.377, 162.0], [377.4851, 1.0], [377.578, 1.0], [377.689, 2.0], [377.8328, 2.0], [378.3807, 22.0], [379.2913, 1.0], [381.4063, 1.0], [387.3578, 1.0], [388.6341, 1.0], [389.3183, 1.0], [389.3787, 4.0], [390.3055, 4.0], [390.3861, 1.0], [391.2871, 8.0], [391.4049, 1.0], [392.3944, 8.0], [393.3756, 3.0], [393.9077, 1.0], [394.405, 218.0], [395.2261, 2.0], [395.3005, 1.0], [395.41, 33.0], [396.3097, 3.0], [398.8282, 1.0], [399.3684, 2.0], [401.3829, 1.0], [402.3818, 1.0], [403.2931, 1.0], [404.3976, 3.0], [406.1978, 1.0], [406.4017, 75.0], [407.3047, 1.0], [407.4054, 6.0], [408.3118, 4.0], [408.4013, 1.0], [409.2954, 8.0], [414.329, 5.0], [415.432, 1.0], [415.64, 1.0], [416.4152, 3.0], [418.4087, 27.0], [418.7871, 3.0], [419.3998, 8.0], [420.02, 1.0], [420.4007, 2.0], [424.9802, 1.0], [425.7799, 1.0], [426.3175, 16.0], [427.1074, 1.0], [427.3065, 6.0], [428.4264, 1.0], [430.3293, 2.0], [430.5728, 1.0], [432.425, 4.0], [433.3913, 1.0], [434.1478, 1.0], [434.4384, 1.0], [436.2765, 1.0], [436.4133, 86.0], [437.4122, 11.0], [440.6779, 2.0], [441.4004, 1.0], [441.8783, 1.0], [442.4039, 1.0], [443.3891, 3.0], [444.3314, 190.0], [444.5635, 1.0], [445.3378, 13.0], [446.4338, 7.0], [447.4295, 3.0], [448.4541, 2.0], [449.1254, 1.0], [452.4508, 1.0], [457.3693, 1.0], [458.4436, 2.0], [460.3309, 1.0], [460.4842, 1.0], [461.3933, 2.0], [462.3801, 1.0], [464.1041, 1.0], [468.5882, 1.0], [469.3837, 1.0], [472.3665, 1.0], [473.5268, 2.0], [476.1505, 2.0], [478.6698, 1.0], [479.4291, 3.0], [480.4686, 1.0], [485.3905, 1.0], [485.6828, 1.0], [494.515, 1.0], [496.3206, 2.0], [498.0383, 2.0], [498.38, 1.0], [499.5424, 1.0], [503.4234, 3.0], [508.4992, 1.0], [510.4454, 1.0], [515.9932, 1.0], [516.5032, 1.0], [517.9768, 1.0], [518.151, 1.0], [521.4311, 1.0], [523.4485, 1.0], [526.0547, 1.0], [526.9913, 1.0], [528.5501, 2.0], [535.4694, 2.0], [539.1355, 1.0], [539.4703, 3.0], [539.5857, 2.0], [540.4275, 1.0], [542.5526, 1.0], [544.539, 1.0], [547.1494, 1.0], [550.2326, 1.0], [551.5146, 4.0], [552.5184, 1.0], [554.8137, 2.0], [556.5492, 3.0], [560.9473, 1.0], [562.5192, 1.0], [564.5054, 1.0], [564.954, 1.0], [565.5177, 3.0], [566.2887, 1.0], [567.9168, 1.0], [574.599, 3.0], [577.5379, 1.0], [577.9671, 1.0], [578.5192, 1.0], [579.3048, 1.0], [579.5258, 2.0], [581.2589, 1.0], [581.7756, 1.0], [584.4737, 1.0], [589.7894, 1.0], [590.5082, 2.0], [593.5247, 1.0], [597.0624, 1.0], [602.5577, 1.0], [604.8015, 1.0], [610.8011, 1.0], [611.6113, 6.0], [612.6236, 3.0], [618.225, 1.0], [622.6037, 1.0], [623.6102, 6.0], [624.2907, 3.0], [624.6179, 1.0], [626.5636, 3.0], [627.3027, 2.0], [627.4305, 1.0], [627.5753, 3.0], [627.6222, 1.0], [628.0569, 3.0], [628.25, 2.0], [628.382, 3.0], [628.64, 850.0], [628.9586, 3.0], [629.0654, 1.0], [629.319, 3.0], [629.6426, 153.0], [629.9378, 1.0], [630.0889, 1.0], [630.2067, 2.0], [630.3433, 1.0], [630.6752, 1.0], [630.9241, 1.0], [631.3599, 1.0], [633.1559, 1.0], [633.464, 1.0], [633.6053, 1.0], [634.0549, 2.0], [636.7684, 1.0], [637.1933, 1.0], [637.3994, 2.0], [638.3529, 2.0], [638.5111, 10.0], [638.8944, 1.0], [638.9847, 1.0], [639.3175, 1.0], [639.5374, 4.0], [639.6794, 3.0], [639.8122, 4.0], [640.0039, 3.0], [640.2105, 1.0], [640.6389, 3340.0], [641.0124, 16.0], [641.2953, 6.0], [641.4245, 4.0], [641.6398, 613.0], [641.862, 3.0], [642.0412, 4.0], [642.2833, 3.0], [642.6556, 1094.0], [642.9846, 4.0], [643.1441, 3.0], [643.2778, 4.0], [643.39, 3.0], [643.6549, 162.0], [643.8818, 3.0], [644.0419, 2.0], [644.2896, 3.0], [644.4849, 1.0], [644.5984, 1.0], [644.7625, 1.0], [644.9957, 1.0], [645.2289, 2.0], [645.5529, 1.0], [645.6955, 1.0], [645.9289, 3.0], [646.4892, 1.0], [646.7915, 2.0], [647.8883, 1.0], [648.5248, 2.0], [648.6547, 2.0], [651.1519, 1.0], [651.7119, 1.0], [651.8421, 2.0], [652.6239, 1.0], [655.243, 3.0], [655.5597, 1.0], [655.6381, 1.0], [655.9386, 2.0], [656.4576, 15.0], [656.6836, 3.0], [656.9451, 2.0], [657.4085, 6.0], [657.6174, 7.0], [657.8804, 1.0], [658.0597, 4.0], [658.2223, 9.0], [658.4352, 5.0], [658.6483, 4367.0], [659.0076, 20.0], [659.3673, 20.0], [659.6511, 1056.0], [659.8801, 7.0], [660.1104, 8.0], [660.3382, 7.0], [660.6602, 5.0], [660.8252, 5.0], [661.0444, 3.0], [661.1756, 3.0], [661.3911, 3.0], [661.5346, 4.0], [661.6311, 3.0], [661.7398, 2.0], [661.8448, 1.0], [661.9367, 2.0], [662.1674, 1.0], [662.2912, 3.0], [662.7245, 1.0], [663.0003, 2.0], [663.1186, 2.0], [663.3682, 1.0], [663.7362, 3.0], [663.9597, 3.0], [664.2358, 1.0], [664.9723, 1.0], [665.6961, 1.0], [666.1411, 1.0], [666.3518, 1.0], [666.5344, 1.0], [674.664, 1.0], [676.6532, 3.0], [680.3477, 1.0], [688.1949, 1.0], [691.0889, 2.0], [692.5382, 2.0], [700.6604, 4.0], [730.3105, 1.0], [740.7571, 1.0], [742.605, 1.0], [746.0152, 1.0], [748.6651, 1.0], [767.7281, 1.0], [772.6979, 1.0], [776.873, 1.0], [784.6951, 3.0], [784.7852, 1.0], [786.2355, 1.0], [790.7009, 6.0], [791.7097, 1.0], [792.4215, 1.0], [802.6917, 14.0], [803.6964, 5.0], [817.9644, 6.0], [818.4689, 2.0], [818.9944, 3.0], [819.4507, 3.0], [819.6791, 4.0], [819.786, 3.0], [820.1142, 8.0], [820.6993, 2448.0], [821.069, 8.0], [821.2184, 8.0], [821.3126, 3.0], [821.4656, 10.0], [821.7068, 470.0], [822.0358, 6.0], [822.35, 9.0], [822.6486, 1.0], [822.8437, 1.0], [822.9706, 3.0], [823.4097, 2.0], [823.577, 1.0], [823.7904, 1.0], [824.0247, 2.0], [824.2381, 1.0], [824.4275, 3.0], [824.7948, 1.0], [824.9623, 2.0], [826.4136, 1.0], [828.2039, 1.0], [837.6755, 3.0], [838.6772, 23.0], [839.1488, 1.0], [839.6582, 4.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 39:1;O2 | HexCer 18:1;O2/21:0 # [M+H]+  @RT 17.0 min (LMPTD00000334)", "MOLECULEMASS": "770.1862", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "28", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "769.1789", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "770.186200", "SPLASH": "splash10-03di-0090040100-180dd08884395deaa60f"}, "peaks": [[135.1163, 44.0], [139.1269, 44.0], [151.1528, 44.0], [164.0037, 87.0], [236.2373, 109.0], [247.2373, 44.0], [250.2547, 261.0], [252.2666, 740.0], [253.2649, 44.0], [263.4074, 65.0], [264.2684, 10000.0], [264.5151, 87.0], [264.7032, 87.0], [265.2747, 696.0], [265.9276, 44.0], [266.2938, 65.0], [268.2706, 87.0], [278.2727, 44.0], [282.2791, 1088.0], [283.2771, 65.0], [296.3003, 44.0], [326.3384, 370.0], [339.2951, 44.0], [444.3432, 87.0], [459.2475, 44.0], [489.2982, 44.0], [494.5713, 44.0], [502.2687, 44.0], [560.574, 457.0], [561.5911, 87.0], [572.5732, 1458.0], [573.5793, 348.0], [573.7917, 44.0], [574.5881, 479.0], [575.592, 87.0], [590.5879, 2698.0], [591.165, 44.0], [591.5852, 1044.0], [629.5318, 44.0], [685.4373, 218.0], [686.4341, 65.0], [727.5, 65.0], [752.6364, 2176.0], [753.6398, 305.0], [770.6096, 65.0], [771.6269, 65.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 44:3;O2 | HexCer 18:2;O2/26:1 # [M+H]+  @RT 19.1 min (LMPTD00000355)", "MOLECULEMASS": "836.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "29", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "835.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "836.186300", "SPLASH": "splash10-03di-0090003010-ff0919de411ecf3a1640"}, "peaks": [[105.0649, 16.0], [107.0857, 24.0], [109.1011, 32.0], [117.0889, 16.0], [121.0986, 48.0], [123.1106, 32.0], [133.1158, 16.0], [135.1188, 32.0], [141.1265, 16.0], [147.1163, 16.0], [149.1324, 64.0], [163.1433, 16.0], [174.167, 16.0], [175.1312, 24.0], [191.1737, 16.0], [209.1863, 32.0], [219.2245, 16.0], [231.1871, 16.0], [245.2248, 32.0], [247.2395, 16.0], [250.253, 1048.0], [251.2603, 81.0], [251.3997, 16.0], [252.2665, 153.0], [261.1759, 16.0], [261.3942, 40.0], [261.9577, 16.0], [262.2524, 10000.0], [262.5036, 48.0], [262.6208, 16.0], [262.6952, 24.0], [262.7897, 16.0], [262.9103, 16.0], [263.1088, 16.0], [263.2569, 822.0], [263.3986, 16.0], [263.5559, 24.0], [263.7216, 24.0], [264.0324, 32.0], [264.1242, 24.0], [264.2699, 1447.0], [264.3572, 16.0], [264.4968, 16.0], [264.5773, 16.0], [264.7666, 24.0], [264.8662, 16.0], [264.9991, 24.0], [265.2637, 121.0], [276.2713, 32.0], [279.2465, 16.0], [280.2631, 1177.0], [280.4413, 16.0], [281.268, 112.0], [282.2787, 153.0], [290.2844, 387.0], [291.2888, 16.0], [313.2712, 16.0], [373.3528, 16.0], [375.3567, 40.0], [377.3771, 64.0], [378.3715, 24.0], [394.4001, 112.0], [395.4114, 24.0], [406.4052, 32.0], [418.4118, 24.0], [442.3177, 97.0], [443.2787, 16.0], [537.4782, 16.0], [547.4427, 24.0], [549.4925, 32.0], [551.5149, 24.0], [565.528, 32.0], [626.6249, 645.0], [626.7872, 16.0], [627.6263, 81.0], [638.6242, 1040.0], [639.0705, 16.0], [639.6264, 290.0], [639.8704, 32.0], [640.6413, 451.0], [641.6427, 81.0], [642.0921, 16.0], [654.4455, 16.0], [656.6371, 2215.0], [656.9996, 24.0], [657.0977, 32.0], [657.2547, 16.0], [657.6378, 434.0], [658.1967, 16.0], [658.6998, 16.0], [658.8514, 16.0], [698.6296, 16.0], [818.5097, 16.0], [818.6894, 919.0], [819.6921, 290.0], [835.6763, 532.0], [836.2666, 16.0], [836.6773, 999.0], [837.5581, 24.0], [837.6772, 81.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 46:2;O2 | HexCer 18:1;O2/28:1 # [M+H]+  @RT 29.8 min (LMPTD00000318)", "MOLECULEMASS": "866.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "30", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "865.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "866.186300", "SPLASH": "splash10-03di-0090003010-e67a54a6d987d8e4fb79"}, "peaks": [[135.1259, 87.0], [218.1329, 44.0], [247.237, 87.0], [252.2679, 785.0], [253.2692, 109.0], [263.4952, 44.0], [264.2679, 10000.0], [264.5314, 44.0], [264.5895, 44.0], [264.6476, 44.0], [264.8302, 44.0], [265.1292, 44.0], [265.2689, 872.0], [265.751, 44.0], [266.2861, 65.0], [278.2866, 44.0], [280.2988, 174.0], [282.2096, 65.0], [282.2787, 1199.0], [282.6657, 44.0], [283.2843, 87.0], [292.2981, 2528.0], [293.2985, 174.0], [310.3066, 153.0], [313.2929, 65.0], [405.4152, 87.0], [422.4298, 109.0], [423.4197, 44.0], [434.434, 87.0], [444.3293, 87.0], [551.5008, 131.0], [552.5111, 109.0], [561.4296, 44.0], [567.4902, 44.0], [575.4988, 65.0], [579.4946, 109.0], [592.5023, 44.0], [593.5288, 44.0], [650.617, 44.0], [656.6748, 392.0], [657.6559, 87.0], [668.6685, 1351.0], [669.6687, 262.0], [670.6851, 523.0], [671.6975, 131.0], [684.5179, 44.0], [686.6828, 2703.0], [687.1099, 44.0], [687.273, 44.0], [687.6875, 349.0], [799.6748, 44.0], [848.726, 523.0], [849.7326, 218.0], [865.6655, 87.0], [866.7009, 1613.0], [867.282, 44.0], [867.6981, 218.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:0;O3 | HexCer 18:0;O2/24:0;O # [M+H]+  @RT 25.4 min (LMPTD00000289)", "MOLECULEMASS": "830.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "31", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "829.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "830.186300", "SPLASH": "splash10-0udi-0010009000-b5e1f9d0ce9ab392289f"}, "peaks": [[109.1014, 31.0], [111.1178, 14.0], [123.1178, 20.0], [125.1393, 8.0], [137.1305, 6.0], [167.1353, 6.0], [212.2137, 6.0], [221.0786, 6.0], [235.2444, 6.0], [240.2763, 22.0], [247.2407, 6.0], [252.2702, 17.0], [253.2736, 20.0], [254.2829, 56.0], [264.27, 104.0], [265.2758, 96.0], [266.2869, 517.0], [267.0019, 8.0], [267.2877, 17.0], [268.2974, 17.0], [282.2806, 14.0], [283.2881, 11.0], [283.3709, 6.0], [284.0297, 8.0], [284.2946, 875.0], [284.7094, 6.0], [284.7955, 6.0], [285.2972, 51.0], [286.1316, 6.0], [302.304, 163.0], [303.3014, 6.0], [311.2826, 6.0], [312.3005, 11.0], [331.3406, 6.0], [349.3455, 11.0], [355.0671, 22.0], [356.3892, 6.0], [366.3684, 51.0], [367.374, 14.0], [370.3769, 6.0], [378.3727, 6.0], [384.3838, 426.0], [385.3839, 34.0], [385.5918, 6.0], [386.3894, 6.0], [401.0005, 6.0], [415.036, 8.0], [507.3546, 6.0], [533.4628, 6.0], [554.8121, 6.0], [598.3927, 6.0], [603.6145, 8.0], [604.6311, 6.0], [618.6164, 6.0], [619.616, 11.0], [620.2289, 6.0], [620.6258, 62.0], [621.6298, 14.0], [622.6623, 11.0], [630.6036, 17.0], [631.6227, 45.0], [632.043, 6.0], [632.6317, 833.0], [632.8831, 6.0], [633.0537, 6.0], [633.6342, 141.0], [633.9501, 8.0], [634.6407, 11.0], [636.1872, 6.0], [636.6891, 6.0], [648.3018, 6.0], [648.3798, 6.0], [648.4877, 28.0], [648.5877, 6.0], [648.7176, 6.0], [648.8605, 6.0], [649.0945, 6.0], [649.3415, 11.0], [649.4882, 11.0], [649.6331, 22.0], [649.8226, 6.0], [649.9006, 6.0], [650.0411, 6.0], [650.2856, 11.0], [650.6414, 10000.0], [650.8895, 15.0], [651.0606, 34.0], [651.3552, 17.0], [651.6454, 1426.0], [651.9239, 13.0], [652.1377, 17.0], [652.322, 11.0], [652.5082, 11.0], [652.6609, 8.0], [652.8108, 6.0], [652.8955, 8.0], [652.9802, 6.0], [653.3723, 6.0], [653.7636, 6.0], [654.004, 8.0], [654.1606, 6.0], [661.5408, 6.0], [668.1709, 6.0], [668.6525, 1030.0], [669.0918, 6.0], [669.2659, 20.0], [669.6573, 191.0], [670.4411, 6.0], [676.4254, 6.0], [685.4116, 6.0], [812.6952, 48.0], [813.7242, 11.0], [829.7138, 8.0], [830.7078, 45.0], [831.4488, 6.0], [831.6842, 8.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Hex2Cer 38:1;O2 | Hex2Cer 18:1;O2/20:0 # [M+H]+  @RT 12.2 min (LMPTD00000302)", "MOLECULEMASS": "918.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "33", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "917.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "918.186300", "SPLASH": "splash10-03di-0090040000-f400f482b64e614d96fc"}, "peaks": [[121.0976, 55.0], [127.038, 55.0], [128.9519, 55.0], [135.1127, 55.0], [211.2061, 138.0], [224.2566, 83.0], [236.2398, 635.0], [237.2363, 83.0], [252.269, 966.0], [253.2735, 138.0], [254.249, 193.0], [263.3927, 55.0], [264.2683, 10000.0], [264.565, 55.0], [264.7642, 55.0], [265.2746, 827.0], [265.936, 55.0], [280.2849, 55.0], [282.2788, 1297.0], [283.2841, 331.0], [284.2965, 55.0], [292.2963, 442.0], [310.3204, 83.0], [312.3217, 193.0], [393.855, 55.0], [418.9326, 55.0], [444.3368, 55.0], [546.5594, 717.0], [547.5622, 331.0], [558.5646, 1049.0], [559.5594, 359.0], [560.5741, 276.0], [561.4968, 55.0], [561.5866, 110.0], [576.5735, 3918.0], [577.4261, 55.0], [577.5768, 993.0], [577.7327, 83.0], [578.5668, 55.0], [738.6264, 83.0], [739.6306, 83.0], [779.5464, 55.0], [855.5714, 55.0], [900.662, 442.0], [901.6765, 110.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 46:2;O3 | HexCer 18:1;O2/28:1;O # [M+H]+  @RT 28.7 min (LMPTD00000345)", "MOLECULEMASS": "882.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "35", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "881.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "882.186300", "SPLASH": "splash10-03e9-0090006100-cc5fdd99882565e02c8e"}, "peaks": [[103.0455, 45.0], [107.0825, 89.0], [109.1061, 134.0], [111.1217, 45.0], [114.0885, 45.0], [117.0962, 45.0], [121.1075, 112.0], [123.1228, 89.0], [133.0862, 45.0], [135.1197, 134.0], [137.1305, 45.0], [197.2018, 45.0], [211.2027, 89.0], [247.2401, 179.0], [252.2693, 1632.0], [253.2834, 89.0], [256.2267, 45.0], [263.4058, 45.0], [263.7868, 45.0], [264.2685, 10000.0], [264.5829, 45.0], [265.2701, 1073.0], [266.2839, 224.0], [280.2967, 134.0], [282.2788, 1163.0], [283.2783, 246.0], [290.2733, 45.0], [292.2982, 581.0], [293.2983, 67.0], [294.3118, 45.0], [310.3132, 89.0], [340.3223, 45.0], [343.2652, 45.0], [346.1827, 45.0], [355.3171, 45.0], [368.3305, 45.0], [393.4082, 45.0], [403.3921, 45.0], [420.4199, 224.0], [421.4178, 45.0], [422.435, 67.0], [432.4149, 45.0], [438.4258, 268.0], [450.4348, 134.0], [454.333, 45.0], [462.4523, 89.0], [480.4359, 268.0], [483.3612, 45.0], [549.4827, 45.0], [579.5421, 45.0], [605.5211, 45.0], [628.6368, 67.0], [638.4219, 45.0], [638.6583, 45.0], [656.6697, 134.0], [672.6617, 1319.0], [673.0425, 45.0], [673.668, 403.0], [675.4112, 45.0], [682.4035, 67.0], [684.665, 6042.0], [685.3209, 45.0], [685.6673, 1342.0], [685.9667, 45.0], [686.0869, 45.0], [686.6804, 894.0], [687.6886, 268.0], [700.3794, 45.0], [702.6762, 1677.0], [703.6784, 514.0], [797.6544, 89.0], [798.6441, 45.0], [823.5625, 45.0], [825.6868, 45.0], [864.7363, 358.0], [865.7201, 67.0], [881.7442, 45.0], [882.7187, 268.0], [883.7191, 89.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 43:3;O3 | HexCer 18:2;O2/25:1;O # [M+H]+  @RT 15.4 min (LMPTD00000303)", "MOLECULEMASS": "838.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "36", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "837.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "838.186300", "SPLASH": "splash10-03dl-0090006000-ae419cfb572cf44ebaf9"}, "peaks": [[109.102, 106.0], [111.1217, 53.0], [119.0901, 53.0], [121.099, 106.0], [123.1178, 80.0], [133.0918, 53.0], [135.1148, 80.0], [149.1372, 106.0], [151.1403, 53.0], [175.137, 80.0], [189.1713, 53.0], [196.2137, 53.0], [203.1779, 106.0], [233.2341, 133.0], [235.2117, 53.0], [245.2282, 80.0], [250.2547, 1434.0], [250.5247, 53.0], [251.2681, 53.0], [252.2752, 212.0], [254.2612, 80.0], [261.9905, 53.0], [262.2525, 10000.0], [262.4945, 53.0], [262.5441, 53.0], [263.2584, 664.0], [264.2678, 1089.0], [265.2792, 53.0], [266.2856, 53.0], [268.2457, 53.0], [272.1536, 53.0], [276.2663, 53.0], [277.2695, 53.0], [280.2636, 1115.0], [280.49, 53.0], [281.2681, 133.0], [282.2868, 159.0], [333.3501, 106.0], [343.3199, 106.0], [351.3696, 106.0], [361.3413, 53.0], [378.3795, 212.0], [389.29, 53.0], [392.3763, 53.0], [393.3957, 53.0], [396.3845, 478.0], [397.3986, 53.0], [408.3787, 372.0], [412.3077, 53.0], [417.337, 266.0], [418.3381, 53.0], [434.3922, 53.0], [436.3722, 53.0], [438.3914, 159.0], [442.3225, 53.0], [516.503, 53.0], [612.6022, 133.0], [622.5835, 53.0], [628.6006, 1593.0], [629.6121, 319.0], [630.6292, 53.0], [640.6022, 5263.0], [640.9407, 53.0], [641.2692, 80.0], [641.6041, 1089.0], [642.6157, 717.0], [643.6269, 159.0], [658.6122, 2124.0], [659.6164, 319.0], [820.6629, 372.0], [821.6682, 106.0], [837.6489, 266.0], [838.6461, 398.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:1;O3 | HexCer 18:1;O2/24:0;O # [M+H]+  @RT 23.7 min (LMPTD00000344)", "MOLECULEMASS": "828.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "37", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "827.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "828.186300", "SPLASH": "splash10-03e9-0090008000-ccd79ad0942b89a23c6b"}, "peaks": [[101.015, 9.0], [109.1007, 53.0], [111.1152, 26.0], [121.098, 79.0], [125.131, 9.0], [127.0353, 9.0], [135.1144, 88.0], [137.1385, 22.0], [139.1181, 13.0], [139.1542, 9.0], [145.044, 18.0], [149.1316, 26.0], [151.146, 39.0], [153.1607, 9.0], [163.1465, 18.0], [164.1479, 9.0], [165.1659, 26.0], [167.175, 9.0], [169.067, 13.0], [175.1441, 9.0], [177.1105, 9.0], [177.1649, 9.0], [179.1572, 9.0], [191.18, 18.0], [198.216, 18.0], [205.0737, 18.0], [211.2062, 83.0], [212.2174, 13.0], [219.228, 13.0], [221.2192, 9.0], [224.2335, 13.0], [236.2375, 113.0], [237.2272, 18.0], [238.2495, 18.0], [247.242, 342.0], [250.2504, 44.0], [251.2448, 9.0], [251.439, 13.0], [251.9894, 18.0], [252.2676, 1777.0], [252.4269, 9.0], [253.2721, 101.0], [254.2434, 18.0], [263.24, 9.0], [263.3942, 53.0], [263.6209, 9.0], [263.7369, 9.0], [263.8099, 9.0], [263.9561, 22.0], [264.2684, 10000.0], [264.4715, 31.0], [264.5597, 26.0], [264.6325, 18.0], [264.7118, 26.0], [264.8234, 18.0], [264.9646, 18.0], [265.139, 9.0], [265.268, 784.0], [265.4299, 9.0], [265.5213, 18.0], [265.7014, 9.0], [265.8741, 9.0], [266.0619, 13.0], [266.2805, 110.0], [266.5282, 9.0], [266.6198, 9.0], [266.8698, 9.0], [267.2867, 9.0], [267.3784, 9.0], [267.6455, 9.0], [268.2702, 9.0], [268.4808, 9.0], [268.9156, 9.0], [275.244, 9.0], [281.3292, 9.0], [281.8514, 13.0], [282.2792, 976.0], [282.4771, 9.0], [282.5457, 9.0], [282.6705, 22.0], [282.9366, 9.0], [283.1034, 18.0], [283.283, 105.0], [284.014, 13.0], [284.2907, 26.0], [285.0726, 9.0], [285.2991, 35.0], [289.2533, 9.0], [290.2471, 9.0], [291.2301, 9.0], [292.2694, 18.0], [294.2854, 9.0], [303.2803, 13.0], [309.2675, 9.0], [331.3399, 18.0], [338.3485, 9.0], [349.3371, 18.0], [350.2859, 9.0], [361.2808, 9.0], [366.1988, 9.0], [366.3735, 231.0], [366.6578, 9.0], [367.3806, 35.0], [384.3835, 719.0], [384.9236, 9.0], [385.3862, 74.0], [390.3746, 9.0], [391.3847, 9.0], [394.3658, 13.0], [396.3891, 44.0], [397.3847, 9.0], [407.373, 9.0], [408.3863, 61.0], [409.3938, 9.0], [412.4164, 18.0], [422.3946, 9.0], [424.3852, 48.0], [426.3193, 9.0], [426.3957, 79.0], [427.3944, 13.0], [444.3339, 88.0], [445.3346, 9.0], [450.4154, 9.0], [465.1625, 9.0], [472.4753, 9.0], [572.6109, 9.0], [573.6002, 13.0], [584.6033, 22.0], [585.6197, 9.0], [590.6235, 9.0], [600.5993, 22.0], [601.6154, 9.0], [602.621, 118.0], [603.6244, 26.0], [607.3999, 9.0], [608.3991, 9.0], [612.6046, 35.0], [613.6074, 18.0], [614.6442, 9.0], [617.5441, 22.0], [617.9372, 9.0], [618.0894, 9.0], [618.2712, 9.0], [618.6168, 1888.0], [619.1934, 9.0], [619.2442, 9.0], [619.622, 272.0], [619.8537, 9.0], [620.7941, 13.0], [628.542, 26.0], [629.3785, 9.0], [629.4809, 9.0], [629.6108, 26.0], [629.7571, 9.0], [629.9546, 13.0], [630.0571, 9.0], [630.1937, 18.0], [630.3388, 13.0], [630.6179, 5715.0], [630.9475, 53.0], [631.0051, 18.0], [631.2153, 26.0], [631.343, 18.0], [631.6221, 1050.0], [631.8384, 13.0], [631.9385, 9.0], [632.0949, 9.0], [632.2168, 13.0], [632.3771, 9.0], [632.6347, 1452.0], [632.9161, 9.0], [633.0316, 9.0], [633.3214, 9.0], [633.6351, 254.0], [634.5087, 9.0], [634.6574, 9.0], [634.7786, 9.0], [635.9102, 9.0], [636.1547, 9.0], [646.4908, 9.0], [646.6387, 26.0], [647.6527, 96.0], [648.0873, 9.0], [648.3835, 9.0], [648.6308, 2617.0], [649.0358, 9.0], [649.1709, 18.0], [649.4258, 9.0], [649.6275, 543.0], [666.6413, 31.0], [685.4261, 9.0], [686.453, 9.0], [687.6241, 9.0], [698.6247, 9.0], [753.3401, 9.0], [776.4092, 9.0], [792.7052, 13.0], [810.6791, 552.0], [811.2801, 9.0], [811.6893, 113.0], [828.7106, 31.0], [829.7395, 22.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 36:1;O2 | HexCer 18:1;O2/18:0 # [M+H]+  @RT 10.1 min (LMPTD00000290)", "MOLECULEMASS": "728.1862", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "38", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "727.1789", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "728.186200", "SPLASH": "splash10-03di-0090050100-2f4f04d39f7e825794cf"}, "peaks": [[135.1185, 50.0], [236.2392, 225.0], [247.237, 75.0], [252.2669, 675.0], [253.2739, 75.0], [263.4001, 50.0], [264.0461, 50.0], [264.2682, 10000.0], [264.4997, 100.0], [264.5827, 50.0], [265.2729, 950.0], [266.7781, 50.0], [282.2785, 950.0], [283.2837, 50.0], [284.2952, 250.0], [326.2954, 50.0], [444.3347, 50.0], [517.1326, 50.0], [518.529, 1100.0], [519.5204, 50.0], [530.5297, 1575.0], [531.5327, 125.0], [532.5407, 700.0], [548.5387, 3879.0], [549.5471, 650.0], [553.124, 50.0], [572.5255, 50.0], [607.5814, 50.0], [670.4742, 50.0], [686.4286, 100.0], [687.4404, 550.0], [709.5496, 50.0], [710.4659, 50.0], [710.5931, 2175.0], [711.5973, 400.0], [728.4829, 50.0], [728.6206, 50.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:2;O2 | HexCer 18:2;O2/24:0 # [M+H]+  @RT 18.5 min (LMPTD00000305)", "MOLECULEMASS": "810.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "40", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "809.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "810.186300", "SPLASH": "splash10-03di-0090003000-ba9ced48960f121a3170"}, "peaks": [[109.1024, 88.0], [121.1091, 66.0], [135.114, 155.0], [161.133, 44.0], [164.1678, 44.0], [175.1415, 44.0], [191.1872, 44.0], [209.215, 44.0], [211.2122, 44.0], [233.1683, 44.0], [245.2366, 44.0], [247.2414, 44.0], [250.2565, 574.0], [252.2659, 376.0], [261.3854, 71.0], [262.0654, 44.0], [262.2538, 10000.0], [262.586, 44.0], [263.2568, 508.0], [263.4217, 66.0], [263.5211, 44.0], [264.1028, 44.0], [264.2687, 5625.0], [264.4403, 66.0], [265.2694, 530.0], [265.4543, 44.0], [267.3112, 44.0], [280.264, 729.0], [280.5589, 44.0], [281.2687, 110.0], [282.2827, 707.0], [283.2779, 66.0], [313.2759, 44.0], [331.3363, 44.0], [349.3549, 44.0], [366.3687, 88.0], [368.3908, 221.0], [369.3772, 44.0], [378.3695, 44.0], [408.3971, 44.0], [410.4085, 44.0], [424.3075, 44.0], [442.3397, 44.0], [444.3297, 110.0], [537.4868, 177.0], [551.4898, 88.0], [600.6082, 663.0], [601.6185, 88.0], [612.605, 1458.0], [613.6096, 354.0], [614.6214, 530.0], [615.6318, 133.0], [630.6184, 3005.0], [631.6183, 641.0], [792.6678, 1149.0], [792.8373, 66.0], [793.6697, 331.0], [810.6583, 133.0], [811.6441, 44.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 38:1;O3 | HexCer 18:1;O2/20:0;O # [M+H]+  @RT 13.5 min (LMPTD00000349)", "MOLECULEMASS": "772.1862", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "41", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "771.1789", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "772.186200", "SPLASH": "splash10-03k9-0080090000-1a1f0e0a61f1025f4ed5"}, "peaks": [[107.0931, 27.0], [109.1034, 27.0], [111.1083, 54.0], [121.1036, 134.0], [122.0931, 27.0], [123.1156, 40.0], [135.1146, 80.0], [145.05, 67.0], [147.0636, 27.0], [149.1275, 27.0], [151.1404, 27.0], [165.1558, 40.0], [167.1748, 27.0], [184.0746, 54.0], [198.2168, 27.0], [207.0358, 27.0], [211.2032, 107.0], [212.1915, 27.0], [221.084, 54.0], [224.2316, 107.0], [236.2397, 429.0], [237.2285, 27.0], [247.246, 335.0], [250.2503, 27.0], [252.2682, 1851.0], [253.2726, 188.0], [254.2475, 107.0], [262.8584, 27.0], [263.3881, 27.0], [264.0343, 27.0], [264.2687, 10000.0], [264.4869, 27.0], [264.5651, 27.0], [264.6979, 54.0], [265.2723, 1181.0], [266.0193, 27.0], [266.2828, 161.0], [267.269, 40.0], [280.2765, 27.0], [281.0484, 40.0], [282.2796, 1248.0], [283.2862, 80.0], [290.2459, 27.0], [292.294, 80.0], [293.2854, 67.0], [294.3192, 27.0], [295.1035, 54.0], [310.3154, 295.0], [311.3229, 27.0], [322.334, 40.0], [328.3186, 751.0], [329.3237, 54.0], [337.1655, 27.0], [340.314, 54.0], [352.3138, 67.0], [355.0651, 40.0], [356.3586, 27.0], [366.3239, 27.0], [368.3206, 54.0], [369.122, 27.0], [370.3253, 54.0], [378.2841, 27.0], [391.2818, 27.0], [413.0333, 27.0], [415.2344, 27.0], [444.3382, 188.0], [445.3322, 27.0], [517.3616, 27.0], [544.539, 27.0], [546.5679, 188.0], [547.5456, 27.0], [562.556, 2114.0], [563.5587, 401.0], [572.6858, 27.0], [573.4419, 54.0], [573.67, 27.0], [574.22, 27.0], [574.5544, 6931.0], [574.758, 27.0], [574.8611, 27.0], [575.0504, 80.0], [575.3453, 27.0], [575.4432, 27.0], [575.5576, 1315.0], [575.8349, 27.0], [575.9451, 27.0], [576.5738, 1422.0], [577.5788, 268.0], [590.6322, 40.0], [592.0093, 27.0], [592.5658, 3644.0], [593.5696, 939.0], [594.5444, 27.0], [596.8605, 27.0], [631.5577, 54.0], [650.6443, 27.0], [667.5534, 27.0], [736.6111, 27.0], [754.6156, 711.0], [755.6132, 215.0], [772.5334, 80.0], [773.4844, 80.0], [773.691, 27.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 44:2;O2 | HexCer 18:1;O2/26:1 # [M+H]+  @RT 24.1 min (LMPTD00000292)", "MOLECULEMASS": "838.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "42", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "837.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "838.186300", "SPLASH": "splash10-03di-0090003010-6c76e6c0fa38bbd55f8d"}, "peaks": [[109.098, 22.0], [111.1055, 34.0], [115.0714, 34.0], [121.1018, 67.0], [123.1178, 34.0], [137.1278, 22.0], [145.0624, 22.0], [176.138, 34.0], [193.2099, 22.0], [220.2186, 22.0], [236.2433, 34.0], [247.2478, 112.0], [252.2674, 752.0], [253.2754, 90.0], [263.4032, 45.0], [264.1181, 22.0], [264.2685, 10000.0], [264.3813, 52.0], [264.454, 22.0], [264.5494, 34.0], [264.7237, 34.0], [265.0357, 22.0], [265.2707, 673.0], [265.7243, 22.0], [265.8622, 22.0], [266.2798, 79.0], [266.6364, 22.0], [268.5022, 22.0], [282.2795, 1122.0], [283.2827, 135.0], [361.2655, 22.0], [377.3761, 45.0], [394.4082, 202.0], [398.4023, 22.0], [401.3507, 34.0], [406.4126, 45.0], [436.4161, 34.0], [444.3346, 90.0], [445.3514, 22.0], [509.4805, 22.0], [538.4636, 22.0], [565.5186, 45.0], [578.5349, 22.0], [579.5324, 56.0], [593.5325, 22.0], [618.6167, 22.0], [628.64, 494.0], [629.6398, 90.0], [630.6205, 67.0], [630.8511, 22.0], [632.6417, 45.0], [640.6373, 1279.0], [640.9505, 22.0], [641.6426, 247.0], [641.7709, 22.0], [642.6551, 494.0], [643.6701, 112.0], [656.387, 22.0], [658.6494, 2071.0], [658.865, 22.0], [659.6518, 426.0], [659.8817, 34.0], [820.6988, 942.0], [821.7045, 224.0], [837.6984, 22.0], [838.6768, 1055.0], [839.6765, 247.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 40:1;O3 | HexCer 18:1;O2/22:0;O # [M+H]+  @RT 18.3 min (LMPTD00000304)", "MOLECULEMASS": "800.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "45", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "799.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "800.186300", "SPLASH": "splash10-0w29-0080019000-866cb319f546c4f2ee90"}, "peaks": [[107.093, 25.0], [109.098, 75.0], [110.0968, 25.0], [111.1141, 38.0], [121.1031, 125.0], [122.1132, 25.0], [123.1188, 25.0], [125.1299, 38.0], [135.1145, 138.0], [137.1303, 50.0], [170.1766, 25.0], [183.1762, 50.0], [211.2048, 50.0], [219.2174, 75.0], [220.2186, 25.0], [224.2374, 501.0], [236.2378, 2983.0], [236.3813, 50.0], [236.7109, 25.0], [237.233, 276.0], [238.2479, 75.0], [247.2374, 225.0], [248.2535, 25.0], [250.2546, 351.0], [251.2494, 25.0], [252.2676, 1141.0], [253.273, 125.0], [254.2473, 250.0], [255.253, 50.0], [263.3964, 38.0], [264.029, 25.0], [264.2688, 7867.0], [264.3876, 25.0], [264.4969, 50.0], [264.732, 25.0], [265.1473, 38.0], [265.2694, 627.0], [265.6044, 25.0], [266.279, 188.0], [268.2764, 50.0], [277.2706, 25.0], [282.2801, 765.0], [283.2895, 50.0], [290.2209, 25.0], [292.2633, 25.0], [303.3098, 25.0], [321.2463, 25.0], [321.3194, 75.0], [338.3427, 175.0], [339.3479, 25.0], [356.3507, 501.0], [357.3577, 50.0], [366.373, 100.0], [370.3656, 38.0], [379.3385, 25.0], [380.3455, 50.0], [384.3855, 225.0], [385.38, 38.0], [396.3459, 25.0], [397.2728, 25.0], [398.3555, 25.0], [416.308, 38.0], [444.3361, 100.0], [536.5238, 25.0], [572.566, 25.0], [574.5855, 100.0], [575.5894, 25.0], [585.6054, 25.0], [590.5874, 1960.0], [591.5906, 552.0], [600.6167, 38.0], [601.6141, 25.0], [602.1481, 25.0], [602.5877, 10000.0], [602.7241, 25.0], [602.8901, 50.0], [603.1668, 50.0], [603.3828, 25.0], [603.5899, 1980.0], [604.0024, 25.0], [604.6044, 1028.0], [604.8804, 25.0], [605.2946, 25.0], [605.6132, 163.0], [611.9023, 25.0], [618.6094, 50.0], [619.625, 50.0], [620.1839, 25.0], [620.5965, 3096.0], [620.9362, 25.0], [621.3788, 25.0], [621.6038, 552.0], [637.6278, 25.0], [638.6353, 38.0], [765.6424, 25.0], [782.6478, 664.0], [783.6564, 175.0], [800.7227, 75.0], [801.5873, 25.0], [801.7173, 25.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Hex2Cer 36:1;O2 | Hex2Cer 18:1;O2/18:0 # [M+H]+  @RT 9.2 min (LMPTD00000309)", "MOLECULEMASS": "890.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "46", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "889.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "890.186300", "SPLASH": "splash10-03di-0090050000-00220890d9c53eafb3fe"}, "peaks": [[107.0931, 36.0], [109.1004, 18.0], [121.1011, 55.0], [123.1156, 27.0], [125.1164, 27.0], [127.0379, 18.0], [135.1189, 55.0], [145.0515, 55.0], [198.2348, 18.0], [199.7029, 18.0], [205.8856, 18.0], [211.2084, 46.0], [247.2402, 146.0], [250.2513, 18.0], [251.4391, 18.0], [252.2689, 765.0], [253.2721, 64.0], [262.2478, 27.0], [263.7868, 27.0], [264.0437, 18.0], [264.1416, 27.0], [264.2685, 10000.0], [264.5082, 36.0], [264.5962, 27.0], [264.6714, 18.0], [264.8153, 18.0], [264.8983, 18.0], [265.2703, 1111.0], [265.929, 18.0], [266.2811, 36.0], [269.5437, 18.0], [269.7531, 18.0], [270.3064, 18.0], [278.2847, 182.0], [279.3135, 18.0], [281.3208, 27.0], [282.2796, 1545.0], [282.5667, 18.0], [283.2872, 128.0], [284.2924, 173.0], [284.7369, 18.0], [285.2968, 36.0], [293.2937, 18.0], [296.2888, 27.0], [298.2901, 18.0], [305.3066, 36.0], [308.2824, 18.0], [324.308, 18.0], [325.3164, 55.0], [367.2933, 18.0], [444.3329, 36.0], [518.5327, 583.0], [519.5334, 109.0], [530.528, 1257.0], [530.8484, 18.0], [531.5357, 319.0], [532.5495, 373.0], [532.9165, 18.0], [533.3972, 18.0], [533.5543, 18.0], [547.7141, 27.0], [548.2276, 18.0], [548.54, 4707.0], [548.9327, 36.0], [549.5423, 874.0], [550.0449, 36.0], [606.3751, 18.0], [607.4111, 18.0], [685.4857, 18.0], [710.5941, 128.0], [711.5968, 64.0], [827.5321, 18.0], [872.6431, 583.0], [873.0245, 18.0], [873.6502, 254.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:2;O3 | HexCer 18:1;O2/24:1;O # [M+H]+  @RT 17.8 min (LMPTD00000323)", "MOLECULEMASS": "826.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "47", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "825.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "826.186300", "SPLASH": "splash10-03fr-0090008000-29eae0b380b940e4232c"}, "peaks": [[105.0753, 5.0], [107.0882, 46.0], [109.1018, 71.0], [110.1033, 5.0], [111.118, 51.0], [113.126, 5.0], [114.1376, 8.0], [121.1031, 115.0], [122.1021, 5.0], [123.1164, 46.0], [125.1353, 46.0], [127.0393, 20.0], [128.1164, 5.0], [132.6334, 5.0], [135.115, 86.0], [136.127, 10.0], [137.1329, 46.0], [141.1262, 8.0], [145.0495, 25.0], [147.116, 5.0], [149.0437, 10.0], [149.1335, 35.0], [151.1475, 35.0], [153.1576, 8.0], [155.1524, 8.0], [156.1402, 8.0], [162.1215, 5.0], [163.1419, 15.0], [164.135, 8.0], [165.1672, 25.0], [167.0763, 5.0], [167.1739, 5.0], [168.1595, 5.0], [169.1534, 5.0], [172.1296, 5.0], [177.1574, 10.0], [179.1756, 18.0], [181.205, 5.0], [182.1747, 5.0], [184.1218, 8.0], [189.175, 5.0], [191.1774, 8.0], [193.1979, 15.0], [195.1985, 5.0], [197.1886, 10.0], [198.2175, 20.0], [205.0854, 5.0], [205.1908, 10.0], [206.2006, 5.0], [210.9901, 5.0], [211.2056, 124.0], [212.2126, 10.0], [217.1783, 5.0], [219.2109, 13.0], [221.2226, 10.0], [223.2044, 5.0], [224.1811, 5.0], [224.2396, 20.0], [231.2096, 5.0], [233.2232, 5.0], [235.2398, 10.0], [236.2383, 268.0], [237.2425, 30.0], [238.2416, 20.0], [240.2396, 10.0], [243.1358, 5.0], [247.2426, 365.0], [248.2437, 33.0], [249.2574, 23.0], [250.2552, 30.0], [251.2451, 8.0], [251.4473, 5.0], [252.1843, 8.0], [252.2679, 1564.0], [252.5812, 10.0], [253.1085, 5.0], [253.2705, 139.0], [254.0916, 5.0], [254.2566, 51.0], [255.2636, 10.0], [256.2186, 5.0], [257.2241, 5.0], [260.4993, 5.0], [263.1741, 8.0], [263.2734, 10.0], [263.4008, 30.0], [263.5384, 5.0], [263.6046, 5.0], [263.7802, 10.0], [263.9478, 15.0], [264.0337, 15.0], [264.2685, 10000.0], [264.4772, 20.0], [264.5456, 10.0], [264.6455, 10.0], [264.7407, 18.0], [264.8507, 10.0], [264.935, 8.0], [265.1397, 15.0], [265.2688, 835.0], [265.4578, 5.0], [265.5299, 5.0], [265.6011, 5.0], [265.6837, 10.0], [265.8126, 8.0], [265.8717, 8.0], [265.969, 5.0], [266.2821, 139.0], [266.5326, 10.0], [266.6117, 5.0], [266.695, 5.0], [266.9629, 10.0], [267.0451, 8.0], [267.28, 15.0], [267.7626, 10.0], [267.963, 5.0], [268.2693, 10.0], [269.3344, 8.0], [270.1791, 5.0], [276.266, 15.0], [277.2794, 10.0], [278.0105, 5.0], [280.2722, 10.0], [281.3509, 8.0], [281.7832, 8.0], [282.2796, 1144.0], [282.5717, 5.0], [282.7432, 8.0], [283.2811, 111.0], [283.533, 5.0], [284.3004, 10.0], [285.271, 5.0], [287.5764, 5.0], [289.2486, 10.0], [290.241, 10.0], [292.2586, 10.0], [294.2646, 8.0], [296.2582, 5.0], [298.2725, 8.0], [301.2582, 8.0], [303.3034, 5.0], [305.3097, 10.0], [306.3196, 5.0], [307.2689, 5.0], [310.2863, 5.0], [312.2937, 5.0], [319.3362, 51.0], [324.2989, 5.0], [329.32, 23.0], [337.3507, 51.0], [338.2831, 5.0], [347.3316, 38.0], [347.4465, 8.0], [348.341, 5.0], [349.2802, 5.0], [350.2862, 5.0], [352.3326, 5.0], [353.3388, 5.0], [361.2853, 10.0], [361.3581, 8.0], [364.3569, 218.0], [365.3678, 30.0], [366.3709, 25.0], [367.3788, 10.0], [376.3487, 13.0], [378.3681, 15.0], [379.2595, 5.0], [379.3628, 8.0], [380.2835, 5.0], [380.3589, 10.0], [382.3684, 334.0], [383.3702, 20.0], [388.3549, 8.0], [391.2792, 10.0], [392.3637, 25.0], [394.37, 106.0], [395.359, 13.0], [397.3546, 5.0], [402.374, 8.0], [404.762, 5.0], [406.3687, 81.0], [407.3631, 8.0], [409.2971, 8.0], [410.3986, 15.0], [414.3226, 5.0], [415.3202, 5.0], [416.2937, 5.0], [419.3432, 5.0], [420.3722, 5.0], [421.377, 5.0], [422.382, 10.0], [424.3801, 159.0], [425.3752, 30.0], [426.3225, 13.0], [427.3104, 5.0], [434.4015, 8.0], [438.4025, 5.0], [444.3304, 96.0], [445.3412, 8.0], [446.4077, 5.0], [452.4104, 5.0], [453.4201, 5.0], [460.4215, 5.0], [478.1262, 5.0], [499.4888, 5.0], [504.484, 5.0], [504.7247, 8.0], [510.4374, 5.0], [514.8963, 5.0], [527.5924, 8.0], [544.519, 5.0], [548.5862, 5.0], [549.4709, 8.0], [550.5118, 5.0], [552.5247, 5.0], [562.558, 20.0], [563.5522, 5.0], [566.5599, 10.0], [569.7948, 5.0], [570.5939, 8.0], [571.5709, 10.0], [572.587, 5.0], [581.5952, 5.0], [582.5932, 20.0], [583.5934, 10.0], [588.6061, 25.0], [589.5778, 5.0], [598.595, 43.0], [599.6226, 10.0], [600.6045, 172.0], [601.6101, 35.0], [602.5996, 10.0], [609.6713, 5.0], [610.593, 38.0], [611.596, 10.0], [612.6061, 10.0], [614.5445, 10.0], [614.6827, 8.0], [614.8219, 5.0], [616.1256, 8.0], [616.604, 1655.0], [616.9278, 10.0], [617.3999, 5.0], [617.6048, 469.0], [617.8364, 10.0], [618.1408, 5.0], [618.6123, 18.0], [619.6185, 5.0], [624.3591, 5.0], [625.1624, 8.0], [626.0838, 5.0], [626.1961, 5.0], [626.5102, 20.0], [626.7197, 5.0], [626.8857, 5.0], [627.5195, 8.0], [627.6716, 10.0], [627.8953, 5.0], [628.087, 10.0], [628.1957, 10.0], [628.6025, 5963.0], [628.9082, 13.0], [629.008, 23.0], [629.1359, 20.0], [629.2959, 20.0], [629.6051, 1525.0], [629.9552, 15.0], [630.0662, 5.0], [630.3123, 23.0], [630.619, 893.0], [630.9086, 15.0], [631.1082, 8.0], [631.2518, 5.0], [631.433, 5.0], [631.6226, 190.0], [631.8878, 5.0], [632.3649, 10.0], [632.5292, 5.0], [633.1349, 5.0], [633.2505, 5.0], [634.0853, 8.0], [634.4065, 8.0], [642.7091, 5.0], [644.4633, 13.0], [644.6248, 5.0], [645.3893, 10.0], [646.1801, 10.0], [646.4266, 5.0], [646.613, 2273.0], [646.9874, 10.0], [647.1013, 15.0], [647.231, 5.0], [647.6182, 491.0], [647.8876, 5.0], [648.1065, 5.0], [648.2698, 10.0], [648.4413, 5.0], [648.5556, 5.0], [671.6643, 5.0], [672.5902, 5.0], [754.6296, 5.0], [790.6571, 23.0], [791.5664, 8.0], [808.6668, 399.0], [809.4074, 5.0], [809.6638, 132.0], [826.5425, 5.0], [826.6931, 10.0], [827.6713, 15.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 41:1;O3 | HexCer 18:1;O2/23:0;O # [M+H]+  @RT 21.0 min (LMPTD00000281)", "MOLECULEMASS": "814.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "48", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "813.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "814.186300", "SPLASH": "splash10-03yi-0081009000-b27d1135b1afdc056202"}, "peaks": [[100.0738, 13.0], [107.0851, 44.0], [109.1039, 76.0], [110.0999, 13.0], [111.1199, 38.0], [121.1016, 88.0], [123.1189, 38.0], [124.9965, 13.0], [125.1335, 38.0], [127.0445, 13.0], [135.1162, 63.0], [145.0601, 13.0], [149.134, 51.0], [151.1447, 44.0], [155.1943, 13.0], [161.1226, 13.0], [163.1466, 13.0], [165.1627, 13.0], [179.171, 19.0], [184.075, 329.0], [184.1909, 13.0], [185.0727, 25.0], [197.1875, 13.0], [198.2133, 25.0], [205.2053, 13.0], [211.2058, 196.0], [212.2116, 19.0], [219.21, 19.0], [221.2193, 13.0], [224.2383, 44.0], [225.2473, 13.0], [233.2276, 25.0], [236.2371, 303.0], [237.2483, 19.0], [238.2525, 126.0], [239.2517, 13.0], [247.2403, 291.0], [249.2531, 13.0], [250.0819, 19.0], [250.253, 784.0], [250.5581, 13.0], [251.2527, 101.0], [251.3866, 13.0], [251.4391, 19.0], [252.2676, 1625.0], [252.5081, 19.0], [252.792, 13.0], [253.1734, 13.0], [253.2724, 107.0], [254.2542, 38.0], [263.323, 19.0], [263.3913, 25.0], [263.6211, 13.0], [264.0473, 38.0], [264.268, 10000.0], [264.4967, 63.0], [264.6143, 32.0], [264.6949, 13.0], [264.7688, 13.0], [264.8983, 13.0], [265.0013, 13.0], [265.1143, 13.0], [265.2682, 796.0], [265.5464, 13.0], [265.6545, 19.0], [265.929, 19.0], [266.2832, 139.0], [267.2873, 101.0], [268.2636, 56.0], [277.2708, 13.0], [280.2778, 13.0], [281.2866, 13.0], [282.2792, 1160.0], [282.6831, 13.0], [283.2836, 76.0], [284.2946, 152.0], [285.2949, 139.0], [286.3094, 19.0], [302.3019, 32.0], [303.3146, 44.0], [304.309, 25.0], [317.3266, 13.0], [319.2998, 70.0], [335.3336, 13.0], [349.2747, 13.0], [349.3319, 13.0], [350.3243, 13.0], [352.3556, 215.0], [352.4474, 13.0], [353.3579, 13.0], [364.3561, 13.0], [366.3748, 38.0], [367.3768, 32.0], [368.3696, 13.0], [370.368, 701.0], [370.8217, 13.0], [371.3721, 44.0], [375.3251, 13.0], [376.3538, 13.0], [380.361, 25.0], [382.3656, 32.0], [384.3874, 63.0], [390.0155, 13.0], [391.3073, 19.0], [393.336, 765.0], [393.5398, 25.0], [394.3472, 133.0], [395.3579, 38.0], [398.4095, 25.0], [409.2908, 13.0], [410.3753, 25.0], [411.3991, 32.0], [412.3773, 76.0], [413.3721, 13.0], [416.3024, 13.0], [419.3476, 13.0], [436.3644, 19.0], [444.2543, 13.0], [444.3345, 113.0], [464.118, 13.0], [521.7259, 13.0], [524.468, 13.0], [531.3489, 13.0], [551.5296, 13.0], [570.0382, 13.0], [578.9404, 19.0], [580.2547, 13.0], [586.5835, 38.0], [587.5983, 13.0], [588.6046, 76.0], [589.6448, 13.0], [598.5934, 19.0], [604.4043, 19.0], [604.6036, 1734.0], [605.2324, 19.0], [605.496, 13.0], [605.6063, 316.0], [614.594, 63.0], [615.429, 13.0], [615.6217, 25.0], [615.7835, 13.0], [616.3533, 25.0], [616.6028, 6112.0], [616.9474, 32.0], [617.1135, 13.0], [617.2099, 19.0], [617.6008, 1629.0], [617.8235, 19.0], [617.908, 13.0], [618.0771, 19.0], [618.1532, 13.0], [618.2801, 13.0], [618.6157, 1026.0], [619.0415, 19.0], [619.3081, 13.0], [619.625, 145.0], [621.6337, 13.0], [632.5187, 13.0], [632.6417, 215.0], [633.2503, 13.0], [633.4789, 13.0], [633.6396, 935.0], [634.1365, 19.0], [634.3163, 13.0], [634.4577, 13.0], [634.6207, 4090.0], [634.8745, 19.0], [635.0104, 13.0], [635.0875, 13.0], [635.6198, 683.0], [635.9364, 19.0], [636.5541, 13.0], [650.6533, 13.0], [651.65, 139.0], [652.6487, 291.0], [778.6517, 19.0], [796.526, 13.0], [796.6643, 683.0], [797.2461, 13.0], [797.6761, 215.0], [814.6773, 32.0], [815.7092, 32.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 41:1;O2 | HexCer 18:1;O2/23:0 # [M+H]+  @RT 22.1 min (LMPTD00000286)", "MOLECULEMASS": "798.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "49", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "797.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "798.186300", "SPLASH": "splash10-03di-0090003100-c1049a65dcbff7754db0"}, "peaks": [[121.0996, 60.0], [135.1144, 80.0], [145.0748, 40.0], [151.1469, 40.0], [165.1627, 40.0], [177.1118, 60.0], [211.2091, 40.0], [224.2344, 40.0], [233.1815, 80.0], [236.2341, 441.0], [237.2406, 40.0], [247.2414, 120.0], [250.1786, 40.0], [250.2529, 921.0], [251.2565, 40.0], [252.2678, 661.0], [254.2413, 40.0], [255.2394, 40.0], [263.3928, 80.0], [264.2682, 10000.0], [264.4998, 80.0], [264.5429, 40.0], [265.2735, 841.0], [265.3682, 40.0], [265.5214, 40.0], [266.2845, 80.0], [282.2813, 1182.0], [283.2838, 80.0], [354.3791, 321.0], [444.3294, 100.0], [588.6089, 361.0], [589.6027, 120.0], [600.6041, 1122.0], [601.6087, 240.0], [602.6255, 461.0], [603.6309, 80.0], [616.5938, 40.0], [618.6183, 2564.0], [618.7874, 40.0], [619.0667, 40.0], [619.6263, 541.0], [657.584, 120.0], [658.5721, 60.0], [780.224, 40.0], [780.4805, 40.0], [780.6731, 1603.0], [781.6728, 401.0], [797.6698, 40.0], [798.6726, 160.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 36:2;O2 | HexCer 18:2;O2/18:0 # [M+H]+  @RT 7.2 min (LMPTD00000322)", "MOLECULEMASS": "726.1862", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "50", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "725.1789", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "726.186200", "SPLASH": "splash10-03di-0090040100-bc1dddc545296cb938bc"}, "peaks": [[117.0944, 118.0], [121.1031, 59.0], [163.1495, 59.0], [209.1826, 59.0], [245.2306, 147.0], [250.2501, 1061.0], [262.0442, 118.0], [262.2521, 10000.0], [263.2573, 649.0], [264.2687, 354.0], [264.7075, 59.0], [267.2739, 59.0], [280.2637, 1297.0], [281.2696, 206.0], [284.2922, 354.0], [442.3064, 147.0], [504.8624, 59.0], [516.5185, 472.0], [517.5161, 118.0], [528.5145, 1651.0], [529.5199, 324.0], [530.5307, 354.0], [531.5338, 118.0], [546.1156, 59.0], [546.5262, 3656.0], [547.5311, 442.0], [548.9808, 59.0], [667.472, 118.0], [685.4312, 177.0], [686.4389, 118.0], [690.6786, 59.0], [708.5793, 1592.0], [709.5865, 413.0], [726.4678, 88.0], [726.5641, 59.0], [748.5874, 59.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:2;O2 | HexCer 18:1;O2/24:1 # [M+H]+  | HexCer 42:2;O2 | HexCer 18:2;O2/24:0 # [M+H]+  @RT 18.5 min (LMPTD00000328)", "MOLECULEMASS": "810.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "52", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "809.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "810.186300", "SPLASH": "splash10-03di-0090003000-13ea3096d0486879fe84"}, "peaks": [[100.0538, 6.0], [107.0881, 34.0], [109.1023, 25.0], [111.122, 19.0], [117.078, 6.0], [121.1007, 50.0], [123.1181, 19.0], [125.088, 6.0], [125.1394, 6.0], [133.098, 6.0], [135.1154, 41.0], [137.1305, 13.0], [149.134, 16.0], [151.1482, 19.0], [155.1433, 6.0], [163.1492, 13.0], [165.1625, 19.0], [170.1566, 6.0], [184.1795, 6.0], [191.1938, 9.0], [198.2235, 9.0], [201.0891, 6.0], [203.1708, 9.0], [207.2268, 6.0], [208.433, 6.0], [211.2035, 34.0], [212.2023, 13.0], [226.2058, 6.0], [226.662, 6.0], [231.9151, 6.0], [238.4795, 6.0], [239.2365, 6.0], [240.2271, 9.0], [245.22, 6.0], [247.248, 63.0], [250.2547, 88.0], [250.7912, 6.0], [251.2556, 6.0], [252.2682, 720.0], [252.5881, 16.0], [253.2712, 60.0], [262.253, 1322.0], [262.4532, 6.0], [262.5854, 6.0], [263.2577, 91.0], [263.4023, 50.0], [263.5867, 6.0], [263.8286, 6.0], [264.0166, 28.0], [264.2683, 10000.0], [264.5512, 69.0], [264.7144, 19.0], [264.8306, 19.0], [264.9137, 9.0], [264.9676, 6.0], [265.0845, 13.0], [265.2713, 1155.0], [265.4675, 13.0], [265.5479, 13.0], [265.6782, 6.0], [265.8778, 6.0], [266.0192, 6.0], [266.1041, 6.0], [266.2814, 47.0], [266.3772, 6.0], [266.9437, 6.0], [267.2855, 19.0], [268.0368, 6.0], [268.2038, 6.0], [268.3292, 13.0], [271.0521, 6.0], [278.2643, 9.0], [280.2622, 185.0], [281.2707, 13.0], [281.3536, 13.0], [281.8416, 6.0], [282.2791, 1210.0], [282.5301, 6.0], [282.7073, 6.0], [283.2831, 106.0], [284.2965, 6.0], [284.9593, 13.0], [296.2953, 6.0], [306.2765, 6.0], [315.274, 6.0], [331.3355, 9.0], [347.3245, 6.0], [349.3473, 69.0], [364.3828, 6.0], [366.373, 88.0], [367.3731, 38.0], [368.3844, 31.0], [373.3187, 6.0], [378.369, 28.0], [390.3677, 16.0], [408.3757, 44.0], [409.3807, 6.0], [414.3194, 6.0], [426.3223, 6.0], [442.3181, 13.0], [444.3303, 97.0], [445.3246, 13.0], [447.5797, 6.0], [468.8745, 6.0], [475.4017, 6.0], [511.3899, 6.0], [523.4559, 13.0], [524.4867, 6.0], [537.4845, 81.0], [538.4875, 19.0], [551.5027, 66.0], [552.5195, 6.0], [565.5144, 13.0], [566.5302, 6.0], [593.4487, 6.0], [600.3041, 6.0], [600.6079, 577.0], [601.2795, 9.0], [601.6082, 112.0], [602.7941, 6.0], [610.5853, 9.0], [612.1675, 6.0], [612.605, 1303.0], [612.7555, 6.0], [612.9071, 6.0], [613.3872, 9.0], [613.6135, 292.0], [614.6233, 417.0], [614.8369, 13.0], [615.1194, 16.0], [615.6193, 138.0], [616.0182, 6.0], [628.5156, 6.0], [629.5649, 13.0], [630.2124, 6.0], [630.6152, 2419.0], [630.8163, 17.0], [630.977, 13.0], [631.1084, 13.0], [631.3993, 6.0], [631.6172, 604.0], [631.8455, 6.0], [632.0507, 9.0], [641.4874, 6.0], [672.6362, 6.0], [774.66, 6.0], [775.6625, 9.0], [776.1883, 6.0], [791.0554, 6.0], [792.2073, 16.0], [792.4431, 13.0], [792.6672, 1033.0], [792.9794, 13.0], [793.6702, 298.0], [793.8646, 6.0], [808.5713, 6.0], [809.6452, 9.0], [810.6544, 22.0], [810.7731, 13.0], [811.5128, 9.0], [811.6705, 13.0], [811.7868, 6.0], [834.7036, 6.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:0;O2 | HexCer 18:0;O2/24:0 # [M+H]+  @RT 27.2 min (LMPTD00000285)", "MOLECULEMASS": "814.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "54", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "813.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "814.186300", "SPLASH": "splash10-001i-0010009000-66b4f4ed274f995882a9"}, "peaks": [[109.1013, 23.0], [111.1177, 19.0], [135.1185, 8.0], [137.1262, 16.0], [184.0705, 39.0], [207.2127, 8.0], [208.581, 8.0], [240.2644, 23.0], [249.2676, 23.0], [254.2802, 47.0], [255.2802, 16.0], [259.2244, 8.0], [264.265, 89.0], [265.2752, 39.0], [265.3801, 8.0], [266.2841, 636.0], [267.2862, 54.0], [282.2678, 8.0], [283.3191, 8.0], [283.6274, 8.0], [283.9815, 8.0], [284.2933, 1411.0], [284.4787, 12.0], [284.5991, 12.0], [285.0124, 8.0], [285.2939, 109.0], [301.3023, 8.0], [302.3049, 733.0], [302.5345, 12.0], [303.3121, 54.0], [325.3378, 8.0], [343.3407, 8.0], [351.3618, 16.0], [368.3878, 673.0], [369.3879, 57.0], [370.3895, 8.0], [391.322, 16.0], [392.2958, 8.0], [393.3272, 16.0], [409.4157, 85.0], [410.4131, 16.0], [532.655, 8.0], [604.6138, 23.0], [605.6089, 8.0], [607.4003, 8.0], [615.6315, 8.0], [616.6342, 465.0], [617.6422, 85.0], [618.6416, 16.0], [631.9926, 8.0], [632.2235, 8.0], [632.5416, 39.0], [632.6868, 12.0], [632.9036, 16.0], [633.0833, 8.0], [633.186, 8.0], [633.3753, 27.0], [633.5294, 31.0], [633.7381, 16.0], [634.1321, 8.0], [634.3281, 39.0], [634.6494, 10000.0], [635.0626, 78.0], [635.3997, 19.0], [635.6528, 1544.0], [635.8334, 22.0], [635.9667, 12.0], [636.0682, 16.0], [636.1969, 16.0], [636.451, 16.0], [636.677, 16.0], [636.9844, 8.0], [637.1913, 16.0], [637.3266, 16.0], [638.048, 12.0], [638.5378, 8.0], [638.8344, 8.0], [639.9955, 8.0], [641.584, 8.0], [643.4721, 8.0], [645.1298, 8.0], [650.5187, 8.0], [652.6606, 2527.0], [653.163, 12.0], [653.3802, 8.0], [653.6595, 380.0], [663.4255, 8.0], [730.6054, 8.0], [795.6766, 8.0], [796.7, 89.0], [797.7043, 23.0], [813.6655, 12.0], [814.6593, 39.0], [815.5876, 8.0], [815.6997, 16.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Hex2Cer 36:2;O2 | Hex2Cer 18:2;O2/18:0 # [M+H]+  @RT 6.0 min (LMPTD00000299)", "MOLECULEMASS": "888.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "55", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "887.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "888.186300", "SPLASH": "splash10-03di-0090030000-2f46958357562709e2d3"}, "peaks": [[115.0717, 53.0], [121.1172, 53.0], [133.0955, 36.0], [135.1067, 36.0], [209.1997, 36.0], [233.2191, 53.0], [245.2234, 53.0], [250.2544, 818.0], [251.26, 89.0], [252.2684, 36.0], [262.2533, 10000.0], [262.4926, 50.0], [262.5771, 53.0], [262.6598, 36.0], [262.9362, 36.0], [263.2584, 836.0], [264.267, 267.0], [265.2625, 36.0], [267.2688, 36.0], [280.264, 1102.0], [281.2629, 213.0], [282.2871, 36.0], [284.2939, 231.0], [308.3014, 36.0], [325.2898, 36.0], [516.5128, 302.0], [528.5098, 889.0], [529.5102, 284.0], [530.5239, 373.0], [531.544, 71.0], [544.7281, 36.0], [545.991, 36.0], [546.5249, 2923.0], [546.8258, 36.0], [547.5284, 711.0], [610.5977, 36.0], [628.5995, 36.0], [708.5781, 142.0], [790.6582, 71.0], [870.6214, 320.0], [871.6412, 124.0], [887.6132, 107.0], [888.6149, 284.0], [889.5722, 107.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:1;O2 | HexCer 18:1;O2/24:0 # [M+H]+  @RT 24.8 min (LMPTD00000342)", "MOLECULEMASS": "812.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "56", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "811.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "812.186300", "SPLASH": "splash10-03di-0090004000-afa659a49c4a92a65e58"}, "peaks": [[109.0981, 21.0], [115.0551, 41.0], [117.0943, 21.0], [121.1064, 21.0], [135.119, 51.0], [137.1245, 31.0], [149.1315, 31.0], [184.0714, 82.0], [184.1771, 31.0], [211.2135, 51.0], [219.1904, 21.0], [224.2531, 21.0], [236.2387, 62.0], [247.2441, 82.0], [250.2473, 72.0], [252.2674, 769.0], [253.2708, 62.0], [263.3959, 41.0], [263.6957, 21.0], [264.1101, 21.0], [264.2685, 10000.0], [264.3697, 21.0], [264.4896, 82.0], [264.6588, 41.0], [264.8319, 31.0], [264.9814, 21.0], [265.2719, 882.0], [265.8708, 41.0], [266.1287, 31.0], [266.2897, 41.0], [266.5784, 21.0], [281.3466, 21.0], [282.1258, 21.0], [282.2798, 1189.0], [282.503, 21.0], [283.278, 82.0], [349.2556, 31.0], [364.249, 21.0], [368.3893, 277.0], [389.3105, 21.0], [393.3577, 21.0], [410.3929, 41.0], [426.3301, 21.0], [444.3282, 82.0], [445.3411, 31.0], [523.4637, 21.0], [551.4458, 21.0], [602.6238, 328.0], [603.6231, 103.0], [614.6256, 1128.0], [614.7838, 21.0], [615.6231, 246.0], [616.6372, 482.0], [617.6442, 82.0], [630.5443, 31.0], [631.6283, 21.0], [632.6306, 3685.0], [632.9398, 21.0], [633.6369, 636.0], [794.6874, 1220.0], [795.6929, 164.0], [812.6805, 225.0], [813.6909, 41.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 44:3;O2 | HexCer 18:1;O2/26:2 # [M+H]+  | HexCer 44:3;O2 | HexCer 18:2;O2/26:1 # [M+H]+  @RT 19.2 min (LMPTD00000352)", "MOLECULEMASS": "836.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "57", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "835.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "836.186300", "SPLASH": "splash10-03di-0090003010-a3c14170fee01f8498cc"}, "peaks": [[107.0847, 28.0], [109.1022, 88.0], [115.055, 44.0], [117.0711, 28.0], [121.0974, 28.0], [123.11, 28.0], [135.117, 59.0], [147.1161, 28.0], [161.1033, 44.0], [164.1678, 28.0], [165.1629, 28.0], [174.1533, 44.0], [175.1338, 28.0], [209.1861, 28.0], [239.2459, 28.0], [245.2304, 59.0], [250.2523, 997.0], [251.2572, 59.0], [252.2663, 425.0], [261.39, 73.0], [262.0338, 41.0], [262.253, 10000.0], [262.4866, 44.0], [262.5299, 59.0], [262.9044, 88.0], [263.0423, 28.0], [263.1842, 28.0], [263.2554, 616.0], [263.3947, 28.0], [263.9118, 28.0], [264.0528, 44.0], [264.2691, 5951.0], [264.4529, 73.0], [264.5587, 28.0], [265.115, 28.0], [265.2702, 440.0], [266.0712, 28.0], [266.2793, 59.0], [266.5457, 59.0], [269.243, 28.0], [276.2665, 28.0], [278.2835, 28.0], [280.2639, 1041.0], [281.2726, 59.0], [282.2788, 601.0], [282.4438, 28.0], [283.2712, 28.0], [290.2856, 147.0], [308.2989, 44.0], [313.2916, 28.0], [357.3793, 28.0], [359.3731, 28.0], [375.3645, 117.0], [377.3753, 132.0], [394.4082, 147.0], [395.4159, 59.0], [406.3972, 28.0], [416.3829, 28.0], [418.3946, 44.0], [442.322, 88.0], [444.3252, 59.0], [509.2528, 28.0], [517.3391, 28.0], [537.5012, 28.0], [563.482, 44.0], [565.4861, 28.0], [578.5135, 28.0], [626.6267, 498.0], [627.6219, 117.0], [637.4714, 28.0], [638.6231, 1407.0], [639.6237, 279.0], [640.6387, 704.0], [641.6576, 88.0], [654.4577, 28.0], [655.6068, 28.0], [656.6372, 3125.0], [657.017, 103.0], [657.45, 44.0], [657.6384, 645.0], [658.0519, 28.0], [800.6969, 28.0], [818.6862, 1173.0], [819.2094, 28.0], [819.6992, 528.0], [820.568, 28.0], [835.6748, 967.0], [835.9409, 28.0], [836.5016, 28.0], [836.679, 1744.0], [837.0329, 44.0], [837.3281, 28.0], [837.6935, 73.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 43:3;O2 | HexCer 18:1;O2/25:2 # [M+H]+  @RT 16.8 min (LMPTD00000311)", "MOLECULEMASS": "822.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "58", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "821.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "822.186300", "SPLASH": "splash10-03di-0090003010-45996bf0a6d48d0dfa2a"}, "peaks": [[107.0824, 50.0], [107.9689, 50.0], [109.1004, 126.0], [111.1215, 50.0], [123.121, 50.0], [135.1156, 100.0], [142.1154, 50.0], [159.1207, 75.0], [209.1846, 50.0], [247.2486, 50.0], [250.258, 276.0], [251.2436, 75.0], [252.2668, 852.0], [253.2775, 100.0], [254.2609, 50.0], [262.2527, 3765.0], [262.7092, 75.0], [262.9408, 50.0], [263.254, 401.0], [264.1003, 75.0], [264.2677, 10000.0], [264.6145, 50.0], [265.0048, 50.0], [265.0795, 50.0], [265.2, 75.0], [265.272, 1205.0], [266.1854, 50.0], [266.2887, 250.0], [278.2851, 126.0], [280.2614, 426.0], [281.2678, 50.0], [282.2794, 1003.0], [283.2854, 151.0], [305.2898, 50.0], [361.3409, 100.0], [363.3642, 50.0], [391.2832, 50.0], [420.3899, 50.0], [442.3094, 126.0], [444.3295, 100.0], [494.5662, 50.0], [549.4864, 100.0], [551.5155, 151.0], [552.52, 50.0], [563.499, 75.0], [564.5098, 50.0], [607.5766, 50.0], [608.5885, 50.0], [612.6034, 552.0], [613.6052, 100.0], [613.7164, 50.0], [624.4683, 50.0], [624.6043, 1732.0], [625.1187, 50.0], [625.6093, 476.0], [626.6206, 703.0], [627.6286, 100.0], [642.6155, 2736.0], [643.0138, 50.0], [643.619, 602.0], [804.6676, 1406.0], [804.863, 75.0], [805.6725, 276.0], [821.6381, 50.0], [822.646, 225.0], [823.6653, 301.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 38:2;O2 | HexCer 18:2;O2/20:0 # [M+H]+  @RT 10.3 min (LMPTD00000306)", "MOLECULEMASS": "754.1862", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "59", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "753.1789", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "754.186200", "SPLASH": "splash10-03di-0090040300-ae591d98147444cb261a"}, "peaks": [[109.1002, 51.0], [133.0944, 102.0], [177.107, 51.0], [250.2537, 509.0], [251.2551, 51.0], [261.4042, 102.0], [262.2524, 10000.0], [262.5768, 76.0], [263.258, 892.0], [264.2673, 586.0], [264.5315, 51.0], [265.2683, 102.0], [265.5282, 51.0], [279.3032, 76.0], [280.2627, 968.0], [281.2637, 127.0], [282.2897, 51.0], [283.2821, 76.0], [290.2846, 1325.0], [291.2884, 204.0], [295.1683, 51.0], [308.2983, 153.0], [312.3276, 306.0], [326.3118, 51.0], [423.2669, 76.0], [442.3133, 153.0], [481.43, 51.0], [509.4537, 102.0], [530.5334, 51.0], [532.533, 51.0], [544.5438, 663.0], [545.5542, 102.0], [556.4483, 51.0], [556.5421, 1605.0], [556.8456, 51.0], [557.5572, 280.0], [558.5535, 714.0], [559.5697, 51.0], [571.535, 102.0], [574.5541, 2854.0], [575.5604, 866.0], [592.5513, 102.0], [695.5185, 306.0], [710.604, 51.0], [734.1334, 51.0], [736.6088, 1682.0], [737.6043, 561.0], [753.5964, 815.0], [754.3749, 51.0], [754.5991, 2243.0], [754.7686, 51.0], [755.5955, 229.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:1;O2 | HexCer 18:0;O2/24:1 # [M+H]+  @RT 21.2 min (LMPTD00000278)", "MOLECULEMASS": "812.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "61", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "811.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "812.186300", "SPLASH": "splash10-001i-0010009000-9a2a6f850550fa4c2458"}, "peaks": [[109.1, 25.0], [111.1177, 15.0], [121.1006, 6.0], [123.1167, 22.0], [135.1126, 6.0], [137.1305, 18.0], [142.1219, 6.0], [149.1363, 12.0], [163.1592, 12.0], [167.1422, 6.0], [175.1307, 6.0], [184.076, 86.0], [198.1882, 12.0], [212.2057, 6.0], [240.2703, 12.0], [249.255, 6.0], [253.2708, 6.0], [254.2786, 37.0], [264.2671, 49.0], [265.2694, 49.0], [265.4051, 6.0], [266.2835, 369.0], [266.5117, 6.0], [267.2848, 31.0], [268.2951, 15.0], [282.2821, 18.0], [283.2925, 6.0], [284.2934, 1130.0], [284.4788, 6.0], [284.8058, 6.0], [285.2961, 105.0], [285.633, 6.0], [296.2895, 6.0], [301.3113, 9.0], [302.2286, 9.0], [302.3052, 539.0], [302.5701, 6.0], [303.014, 6.0], [303.3094, 43.0], [310.3094, 6.0], [311.1226, 6.0], [325.3259, 12.0], [331.3377, 18.0], [343.3368, 6.0], [349.347, 57.0], [350.353, 12.0], [365.1649, 6.0], [366.3732, 221.0], [367.376, 25.0], [368.6048, 6.0], [378.3657, 6.0], [381.2691, 6.0], [389.3166, 9.0], [390.3582, 6.0], [391.3265, 12.0], [408.3803, 25.0], [474.1518, 6.0], [494.1326, 6.0], [521.3531, 6.0], [535.4563, 6.0], [552.5006, 6.0], [591.7156, 6.0], [612.6226, 6.0], [613.608, 6.0], [614.6251, 437.0], [615.625, 68.0], [629.8911, 6.0], [630.5337, 25.0], [631.5871, 18.0], [632.078, 31.0], [632.3493, 18.0], [632.6322, 10000.0], [633.0205, 15.0], [633.1383, 15.0], [633.2889, 6.0], [633.636, 1748.0], [634.0007, 18.0], [634.1366, 6.0], [634.2822, 18.0], [634.5177, 12.0], [634.9689, 12.0], [635.0825, 6.0], [635.3963, 6.0], [635.8079, 15.0], [636.6366, 9.0], [636.7344, 6.0], [637.3397, 6.0], [650.6426, 1762.0], [650.9094, 12.0], [651.0376, 15.0], [651.2999, 6.0], [651.4345, 6.0], [651.6489, 252.0], [651.8469, 6.0], [652.5244, 12.0], [652.7981, 6.0], [653.3066, 6.0], [674.6823, 6.0], [775.5003, 6.0], [793.7065, 6.0], [794.6798, 68.0], [795.6948, 15.0], [812.7055, 28.0], [813.6075, 9.0], [835.0077, 6.0], [836.659, 25.0], [837.6782, 6.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:2;O3 | HexCer 18:1;O2/24:1;O # [M+H]+  | HexCer 42:2;O3 | HexCer 18:2;O2/24:0;O # [M+H]+  @RT 17.6 min (LMPTD00000319)", "MOLECULEMASS": "826.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "62", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "825.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "826.186300", "SPLASH": "splash10-03fr-0090008000-52153863c0cb872230a5"}, "peaks": [[100.0793, 41.0], [107.0911, 41.0], [109.0996, 206.0], [115.0717, 41.0], [121.1056, 165.0], [123.1126, 41.0], [127.047, 41.0], [135.1165, 227.0], [137.1279, 82.0], [139.1547, 41.0], [147.0602, 41.0], [149.1297, 41.0], [151.1437, 62.0], [161.1353, 41.0], [163.1361, 41.0], [177.1495, 41.0], [189.0973, 41.0], [191.1726, 41.0], [193.1812, 41.0], [211.2, 124.0], [235.2367, 41.0], [237.2598, 41.0], [245.2331, 186.0], [246.215, 41.0], [247.2448, 247.0], [248.2767, 41.0], [249.2503, 41.0], [250.2559, 1072.0], [251.2582, 103.0], [252.2707, 1773.0], [253.2736, 144.0], [261.7592, 41.0], [262.0482, 41.0], [262.2537, 7208.0], [262.3622, 82.0], [263.2567, 619.0], [263.628, 41.0], [264.1336, 41.0], [264.269, 10000.0], [265.0631, 41.0], [265.2701, 990.0], [266.2823, 165.0], [267.2871, 41.0], [280.2634, 803.0], [281.2722, 62.0], [282.2788, 1155.0], [283.2908, 103.0], [289.2419, 41.0], [292.2568, 62.0], [294.2751, 41.0], [305.3256, 62.0], [313.2661, 41.0], [319.3492, 41.0], [337.3454, 103.0], [349.3294, 41.0], [362.2918, 41.0], [364.3586, 186.0], [365.3767, 82.0], [366.3758, 186.0], [367.3786, 41.0], [381.316, 41.0], [382.3675, 186.0], [383.381, 41.0], [384.3818, 412.0], [388.3417, 41.0], [392.404, 62.0], [394.3692, 227.0], [406.3659, 41.0], [424.3818, 124.0], [426.3968, 82.0], [442.3235, 124.0], [444.3302, 62.0], [522.4438, 41.0], [551.5124, 41.0], [552.5073, 41.0], [567.514, 41.0], [588.6137, 41.0], [600.5935, 124.0], [601.617, 41.0], [610.5829, 144.0], [615.5495, 41.0], [616.6017, 2784.0], [616.9426, 62.0], [617.4496, 41.0], [617.6078, 474.0], [618.614, 41.0], [626.5472, 82.0], [628.5993, 9918.0], [628.9211, 41.0], [629.1216, 103.0], [629.3214, 82.0], [629.4494, 41.0], [629.6015, 2969.0], [629.8463, 62.0], [630.6156, 1340.0], [631.2606, 62.0], [631.6205, 495.0], [644.5014, 41.0], [646.2382, 41.0], [646.6116, 4676.0], [647.1204, 41.0], [647.6137, 639.0], [764.52, 82.0], [808.6609, 784.0], [809.6633, 165.0], [823.6704, 41.0], [825.6556, 371.0], [826.4254, 41.0], [826.6501, 701.0], [827.6917, 124.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 40:1;O3 | HexCer 16:1;O2/24:0;O # [M+H]+  @RT 18.2 min (LMPTD00000279)", "MOLECULEMASS": "800.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "63", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "799.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "800.186300", "SPLASH": "splash10-0udr-0080019000-9a29d619e49e9d1afba1"}, "peaks": [[107.0824, 53.0], [109.0927, 53.0], [121.1028, 213.0], [135.1166, 106.0], [183.1709, 53.0], [184.0726, 53.0], [191.1864, 53.0], [219.2107, 372.0], [221.2198, 53.0], [222.2287, 80.0], [224.2374, 1753.0], [225.2418, 213.0], [236.2374, 10000.0], [236.3804, 53.0], [236.6785, 53.0], [237.2392, 797.0], [237.5539, 53.0], [238.2529, 372.0], [250.2546, 372.0], [252.2657, 106.0], [254.2466, 1222.0], [255.2506, 133.0], [264.2666, 558.0], [265.2685, 106.0], [268.2789, 80.0], [338.3614, 53.0], [366.369, 266.0], [384.3819, 1116.0], [385.3867, 213.0], [391.3238, 53.0], [523.4597, 53.0], [572.5702, 53.0], [574.5887, 106.0], [575.614, 53.0], [584.5841, 53.0], [590.5856, 1966.0], [591.5964, 319.0], [600.555, 53.0], [602.3943, 80.0], [602.587, 9501.0], [603.5912, 1594.0], [604.0484, 53.0], [604.6027, 1063.0], [605.5989, 159.0], [619.6133, 53.0], [620.594, 3719.0], [620.7641, 53.0], [621.0692, 53.0], [621.5973, 638.0], [622.3031, 53.0], [782.6534, 797.0], [782.8705, 80.0], [783.6701, 133.0], [800.6642, 159.0], [801.6895, 53.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:2;O2 | HexCer 18:1;O2/24:1 # [M+H]+  @RT 18.9 min (LMPTD00000283)", "MOLECULEMASS": "810.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "65", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "809.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "810.186300", "SPLASH": "splash10-03di-0090003000-c55ec85a119a76399575"}, "peaks": [[107.0861, 23.0], [108.0986, 4.0], [109.1044, 28.0], [111.0626, 4.0], [111.1182, 8.0], [121.1027, 47.0], [123.1171, 11.0], [125.1301, 6.0], [127.0366, 13.0], [127.6803, 4.0], [128.1098, 4.0], [135.1151, 40.0], [137.1305, 8.0], [139.1152, 4.0], [142.1341, 4.0], [145.0503, 8.0], [149.1351, 13.0], [151.1479, 17.0], [153.1545, 4.0], [163.1589, 8.0], [165.1615, 13.0], [170.1569, 4.0], [173.0977, 4.0], [191.1732, 4.0], [193.199, 4.0], [198.216, 11.0], [208.7211, 4.0], [210.0574, 4.0], [211.205, 38.0], [212.2146, 6.0], [224.2378, 8.0], [231.8851, 4.0], [233.2233, 4.0], [236.2392, 89.0], [237.2353, 8.0], [238.2452, 6.0], [240.225, 4.0], [247.2421, 144.0], [248.2538, 4.0], [250.248, 42.0], [251.4231, 6.0], [252.2684, 842.0], [252.6461, 4.0], [252.7191, 4.0], [253.2706, 64.0], [254.2475, 17.0], [262.2611, 8.0], [262.314, 4.0], [262.471, 4.0], [263.2853, 4.0], [263.3923, 25.0], [263.6798, 4.0], [263.7925, 8.0], [263.8579, 8.0], [264.0469, 13.0], [264.2687, 10000.0], [264.4811, 25.0], [264.573, 32.0], [264.6897, 8.0], [264.7917, 15.0], [264.8735, 13.0], [265.0147, 19.0], [265.0795, 8.0], [265.2721, 1011.0], [265.4696, 13.0], [265.5465, 8.0], [265.6416, 11.0], [265.8293, 8.0], [265.9191, 6.0], [266.0456, 8.0], [266.1221, 4.0], [266.1912, 4.0], [266.2828, 85.0], [266.4737, 4.0], [266.6451, 6.0], [267.2817, 8.0], [267.5623, 4.0], [268.2443, 8.0], [268.8908, 4.0], [270.6758, 4.0], [271.23, 4.0], [277.237, 4.0], [279.2641, 4.0], [281.3483, 4.0], [282.28, 1256.0], [282.5488, 8.0], [282.6317, 6.0], [283.2811, 97.0], [284.3067, 6.0], [289.2583, 4.0], [293.2975, 4.0], [306.2554, 6.0], [310.3331, 4.0], [315.2579, 4.0], [324.2898, 4.0], [331.3391, 17.0], [345.2952, 4.0], [347.3552, 8.0], [349.3469, 80.0], [350.3474, 6.0], [364.3465, 8.0], [366.3732, 125.0], [367.3773, 13.0], [378.3687, 34.0], [379.3688, 4.0], [390.3725, 25.0], [391.3568, 4.0], [402.3638, 4.0], [408.3783, 55.0], [409.3839, 11.0], [418.408, 4.0], [426.3223, 8.0], [427.3105, 6.0], [444.3335, 108.0], [444.7923, 4.0], [445.3326, 17.0], [479.4323, 4.0], [518.8981, 4.0], [523.4639, 8.0], [537.4821, 8.0], [538.8906, 4.0], [551.5127, 4.0], [558.1997, 4.0], [595.3825, 4.0], [600.2475, 6.0], [600.61, 620.0], [600.9477, 4.0], [601.2729, 8.0], [601.6082, 89.0], [608.7647, 4.0], [610.5913, 6.0], [611.3984, 4.0], [611.5246, 4.0], [612.3474, 4.0], [612.61, 1306.0], [612.9754, 13.0], [613.1658, 4.0], [613.2922, 4.0], [613.6151, 301.0], [614.1668, 4.0], [614.2907, 4.0], [614.6271, 419.0], [615.037, 4.0], [615.6256, 110.0], [628.5251, 11.0], [628.6703, 6.0], [629.4176, 4.0], [629.5072, 8.0], [629.6053, 4.0], [629.8614, 8.0], [630.0578, 4.0], [630.1346, 4.0], [630.3754, 4.0], [630.6196, 2517.0], [630.9281, 20.0], [631.022, 8.0], [631.2458, 13.0], [631.3633, 8.0], [631.6233, 527.0], [631.8519, 6.0], [631.9744, 8.0], [632.2624, 4.0], [632.4266, 4.0], [632.6216, 4.0], [634.7278, 4.0], [669.5795, 4.0], [672.577, 4.0], [673.3579, 4.0], [744.67, 6.0], [774.6483, 6.0], [791.6669, 4.0], [792.6718, 1183.0], [792.9997, 13.0], [793.1893, 4.0], [793.5294, 4.0], [793.676, 271.0], [794.0804, 4.0], [794.4686, 4.0], [796.6271, 4.0], [810.5691, 13.0], [834.6836, 4.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 43:3;O2 | HexCer 18:1;O2/25:2 # [M+H]+  | HexCer 43:3;O2 | HexCer 18:2;O2/25:1 # [M+H]+  @RT 16.7 min (LMPTD00000332)", "MOLECULEMASS": "822.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "67", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "821.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "822.186300", "SPLASH": "splash10-03di-0090003000-9d69988dca2c3f430120"}, "peaks": [[107.0906, 33.0], [107.9742, 22.0], [109.1042, 67.0], [111.13, 44.0], [119.0853, 33.0], [121.1013, 78.0], [123.114, 22.0], [127.0408, 22.0], [135.1195, 67.0], [145.0532, 22.0], [149.1383, 56.0], [163.1567, 44.0], [175.1471, 22.0], [195.1738, 22.0], [215.5525, 22.0], [219.2188, 33.0], [245.2287, 44.0], [248.2388, 22.0], [250.2571, 778.0], [251.1506, 22.0], [251.2638, 56.0], [252.2705, 455.0], [253.2688, 22.0], [261.1841, 22.0], [261.3995, 44.0], [261.909, 44.0], [262.0026, 22.0], [262.1182, 22.0], [262.2545, 10000.0], [262.4728, 89.0], [262.5314, 22.0], [262.6196, 22.0], [262.8159, 56.0], [263.1269, 22.0], [263.2595, 811.0], [263.367, 44.0], [263.4481, 22.0], [263.6755, 31.0], [263.7728, 22.0], [264.2715, 4309.0], [264.4029, 22.0], [264.4527, 22.0], [264.5274, 22.0], [264.6519, 22.0], [264.8511, 33.0], [265.2708, 400.0], [266.2894, 44.0], [276.2763, 56.0], [280.266, 1214.0], [281.2625, 133.0], [282.2814, 545.0], [283.2749, 44.0], [313.2794, 33.0], [345.3632, 33.0], [359.3503, 22.0], [361.3454, 22.0], [363.3613, 22.0], [380.3936, 111.0], [402.3697, 22.0], [404.3941, 22.0], [422.4071, 33.0], [424.2949, 22.0], [442.3162, 89.0], [444.3309, 22.0], [523.4915, 22.0], [549.4916, 89.0], [551.506, 22.0], [563.499, 67.0], [564.5338, 22.0], [577.5349, 22.0], [579.5422, 22.0], [607.5762, 22.0], [612.6074, 578.0], [613.6146, 111.0], [624.6092, 1547.0], [624.7665, 22.0], [625.6101, 367.0], [626.6279, 545.0], [627.6291, 111.0], [627.7541, 33.0], [640.4296, 33.0], [640.5243, 22.0], [642.6172, 2846.0], [643.1482, 22.0], [643.4199, 67.0], [643.621, 711.0], [643.749, 22.0], [644.2225, 22.0], [681.5832, 67.0], [682.5701, 22.0], [804.376, 22.0], [804.6682, 1023.0], [805.6705, 400.0], [807.3305, 22.0], [822.6478, 111.0], [823.6185, 22.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 41:2;O3 | HexCer 17:1;O2/24:1;O # [M+H]+  | HexCer 41:2;O3 | HexCer 18:1;O2/23:1;O # [M+H]+  @RT 15.4 min (LMPTD00000310)", "MOLECULEMASS": "812.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "69", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "811.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "812.186300", "SPLASH": "splash10-03di-0080009000-573f703d28069b868a87"}, "peaks": [[101.0254, 10.0], [107.0851, 71.0], [109.1027, 111.0], [111.1164, 86.0], [114.0721, 10.0], [117.0832, 10.0], [121.1029, 243.0], [123.1166, 127.0], [123.8583, 10.0], [125.1372, 41.0], [127.0396, 25.0], [127.1134, 10.0], [133.107, 10.0], [135.1205, 152.0], [137.1306, 91.0], [139.1554, 20.0], [141.1523, 10.0], [145.05, 15.0], [145.0869, 10.0], [147.1095, 10.0], [149.0652, 10.0], [149.1342, 76.0], [151.1492, 76.0], [153.1352, 10.0], [154.1217, 10.0], [155.1537, 20.0], [159.1145, 10.0], [161.1351, 20.0], [163.1508, 20.0], [165.1705, 25.0], [167.1776, 10.0], [169.1645, 20.0], [170.1963, 10.0], [173.124, 10.0], [175.1289, 10.0], [177.1548, 10.0], [179.1807, 30.0], [183.1809, 10.0], [184.0775, 20.0], [184.2112, 10.0], [185.0847, 15.0], [189.1603, 10.0], [191.1795, 30.0], [193.18, 20.0], [195.2145, 10.0], [197.1949, 30.0], [198.2102, 20.0], [200.1567, 10.0], [205.195, 35.0], [206.5589, 10.0], [207.2083, 15.0], [208.6171, 10.0], [209.2267, 10.0], [210.1896, 10.0], [210.3376, 10.0], [211.2069, 127.0], [212.2137, 15.0], [213.1214, 10.0], [214.4119, 10.0], [223.2186, 10.0], [224.2419, 66.0], [225.2432, 10.0], [228.2084, 10.0], [233.2253, 46.0], [234.1893, 10.0], [235.2315, 20.0], [236.2381, 319.0], [237.2492, 41.0], [238.2533, 446.0], [239.1812, 10.0], [239.2535, 41.0], [239.4022, 10.0], [240.2159, 10.0], [241.927, 10.0], [247.2442, 233.0], [248.1723, 10.0], [248.2463, 30.0], [249.261, 20.0], [249.4357, 20.0], [249.9597, 10.0], [250.0646, 10.0], [250.2542, 1996.0], [250.4439, 10.0], [250.5085, 10.0], [250.894, 20.0], [251.2566, 132.0], [251.438, 15.0], [252.1342, 10.0], [252.2684, 1930.0], [252.5394, 15.0], [252.6611, 10.0], [252.7746, 10.0], [252.9287, 10.0], [253.0586, 15.0], [253.2718, 157.0], [254.1229, 15.0], [254.2659, 66.0], [255.2954, 10.0], [263.2621, 20.0], [263.3963, 71.0], [263.537, 15.0], [263.7922, 10.0], [263.9115, 10.0], [264.0176, 15.0], [264.2692, 10000.0], [264.5039, 91.0], [264.6795, 25.0], [264.7995, 20.0], [264.9137, 10.0], [265.0034, 20.0], [265.1083, 10.0], [265.2708, 1160.0], [265.4149, 10.0], [265.4578, 10.0], [265.5745, 10.0], [265.6948, 10.0], [265.7946, 10.0], [265.8445, 10.0], [265.8944, 10.0], [266.0054, 10.0], [266.1341, 10.0], [266.2107, 20.0], [266.2825, 213.0], [266.7437, 10.0], [266.877, 10.0], [266.9715, 15.0], [267.0854, 10.0], [267.282, 20.0], [267.5442, 15.0], [267.9533, 10.0], [268.2639, 268.0], [268.4713, 10.0], [272.3809, 10.0], [274.9551, 10.0], [276.2662, 20.0], [277.261, 15.0], [278.2737, 10.0], [279.278, 10.0], [280.2622, 20.0], [281.2766, 10.0], [281.3451, 10.0], [281.7817, 15.0], [282.28, 1297.0], [283.287, 122.0], [289.2644, 10.0], [290.251, 15.0], [291.2462, 10.0], [291.2984, 15.0], [292.2745, 15.0], [294.2867, 20.0], [296.2887, 20.0], [298.2709, 15.0], [305.3272, 46.0], [306.3251, 15.0], [307.2634, 10.0], [312.2777, 10.0], [315.2884, 10.0], [317.243, 10.0], [320.3219, 15.0], [322.2697, 15.0], [323.3305, 81.0], [324.3016, 20.0], [333.3092, 61.0], [334.3328, 15.0], [337.3453, 30.0], [338.2998, 10.0], [345.3363, 10.0], [347.3302, 20.0], [348.3293, 10.0], [350.341, 208.0], [351.3473, 20.0], [352.3552, 61.0], [353.3577, 10.0], [354.2963, 10.0], [359.3558, 10.0], [362.3424, 30.0], [364.3605, 61.0], [366.34, 20.0], [367.1249, 10.0], [368.351, 344.0], [369.3587, 71.0], [372.2946, 10.0], [373.2796, 15.0], [373.3881, 10.0], [374.3647, 20.0], [376.3514, 15.0], [378.3473, 46.0], [379.3663, 10.0], [380.3543, 172.0], [381.3623, 15.0], [382.3706, 81.0], [389.3069, 15.0], [391.3185, 81.0], [392.3421, 56.0], [393.351, 15.0], [394.3719, 30.0], [396.3965, 20.0], [402.3815, 10.0], [406.3812, 25.0], [408.3494, 10.0], [408.4113, 10.0], [409.2778, 10.0], [410.3651, 152.0], [411.3595, 20.0], [412.3076, 10.0], [414.3302, 15.0], [417.2534, 10.0], [417.3391, 81.0], [418.3484, 15.0], [420.3813, 10.0], [424.3806, 25.0], [426.3345, 15.0], [430.3139, 20.0], [444.3401, 152.0], [462.2811, 10.0], [474.4372, 10.0], [492.6105, 10.0], [504.4573, 10.0], [515.5062, 10.0], [548.5429, 20.0], [549.4785, 10.0], [556.5812, 10.0], [557.5635, 10.0], [567.5343, 10.0], [568.5777, 30.0], [569.571, 30.0], [574.5916, 41.0], [584.5731, 56.0], [585.5624, 20.0], [586.592, 177.0], [587.5989, 35.0], [596.5733, 56.0], [597.5831, 10.0], [598.5938, 15.0], [600.0926, 10.0], [600.5426, 10.0], [601.5882, 10.0], [602.144, 20.0], [602.5887, 2428.0], [602.8014, 10.0], [602.9906, 10.0], [603.359, 10.0], [603.591, 527.0], [604.0685, 20.0], [604.1487, 10.0], [604.2562, 10.0], [604.5931, 10.0], [604.7257, 10.0], [604.8386, 10.0], [605.6294, 15.0], [612.5506, 15.0], [613.5182, 35.0], [614.087, 20.0], [614.2174, 10.0], [614.5859, 9310.0], [614.8548, 35.0], [615.0036, 30.0], [615.1631, 15.0], [615.2475, 20.0], [615.5905, 1544.0], [615.7614, 15.0], [615.9483, 41.0], [616.2472, 15.0], [616.6027, 1252.0], [616.9211, 10.0], [617.058, 15.0], [617.2608, 30.0], [617.61, 223.0], [617.7679, 10.0], [618.7574, 10.0], [619.3286, 10.0], [630.5777, 10.0], [631.0774, 10.0], [631.5004, 10.0], [632.1031, 15.0], [632.334, 10.0], [632.5971, 3385.0], [632.9457, 20.0], [633.0398, 20.0], [633.1707, 10.0], [633.3736, 10.0], [633.5994, 750.0], [633.9002, 15.0], [634.0672, 25.0], [634.6069, 10.0], [634.8951, 10.0], [635.2368, 10.0], [635.9957, 10.0], [687.5654, 10.0], [776.6078, 15.0], [794.6522, 613.0], [795.653, 147.0], [795.9865, 10.0], [812.5093, 10.0], [812.6256, 10.0], [813.5276, 10.0], [813.695, 41.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "SHexCer 43:2;O2 | SHexCer 18:1;O2/25:1 # [M+H]+  @RT 9.8 min (LMPTD00000282)", "MOLECULEMASS": "904.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "70", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "903.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "904.186300", "SPLASH": "splash10-03di-0090003010-03be3d0658f55f5ac88c"}, "peaks": [[109.1021, 23.0], [110.1021, 8.0], [111.1055, 15.0], [121.1, 27.0], [123.1041, 11.0], [125.139, 11.0], [131.0747, 8.0], [133.0918, 11.0], [135.1202, 38.0], [137.1276, 8.0], [138.1237, 8.0], [149.1323, 23.0], [151.149, 11.0], [161.135, 8.0], [163.0577, 8.0], [163.1461, 8.0], [165.1622, 8.0], [191.1864, 8.0], [193.1951, 8.0], [197.1867, 8.0], [203.1809, 8.0], [211.2031, 38.0], [212.2062, 8.0], [236.247, 8.0], [247.2435, 113.0], [248.2525, 8.0], [250.25, 15.0], [252.2688, 711.0], [253.2719, 56.0], [254.2773, 11.0], [263.2908, 8.0], [263.3996, 38.0], [263.7854, 11.0], [263.988, 15.0], [264.2683, 10000.0], [264.3853, 23.0], [264.52, 27.0], [264.5947, 27.0], [264.6894, 15.0], [264.7918, 8.0], [264.8748, 8.0], [264.9841, 8.0], [265.0736, 27.0], [265.2727, 1329.0], [265.3954, 11.0], [265.4674, 11.0], [265.678, 15.0], [265.7279, 8.0], [265.7778, 8.0], [265.8729, 8.0], [265.9608, 15.0], [266.094, 8.0], [266.2822, 91.0], [266.6435, 8.0], [266.6769, 8.0], [266.9135, 11.0], [267.177, 8.0], [267.2771, 8.0], [267.6692, 11.0], [268.2455, 8.0], [268.5297, 8.0], [278.2837, 84.0], [279.2801, 15.0], [280.2934, 8.0], [282.0214, 8.0], [282.2795, 1019.0], [283.1363, 8.0], [283.2857, 129.0], [283.8235, 8.0], [286.1835, 8.0], [293.2986, 8.0], [296.2976, 30.0], [301.2513, 8.0], [305.2989, 8.0], [319.2816, 8.0], [327.2712, 8.0], [331.2745, 8.0], [341.3029, 46.0], [342.3184, 8.0], [345.3514, 11.0], [346.3514, 8.0], [354.9398, 8.0], [361.3508, 11.0], [363.3626, 91.0], [364.3722, 11.0], [380.2909, 8.0], [380.3894, 113.0], [381.3924, 30.0], [391.2877, 8.0], [392.3842, 38.0], [404.3968, 15.0], [405.3958, 8.0], [408.3287, 8.0], [422.4045, 38.0], [426.3271, 15.0], [427.3073, 11.0], [444.3321, 137.0], [445.3356, 19.0], [548.9882, 8.0], [605.5414, 8.0], [614.625, 354.0], [615.6238, 137.0], [626.6238, 1495.0], [626.8294, 11.0], [627.0019, 15.0], [627.2191, 15.0], [627.6243, 358.0], [628.2173, 8.0], [628.6401, 463.0], [629.0667, 8.0], [629.6431, 141.0], [630.9052, 8.0], [642.4838, 8.0], [643.467, 11.0], [644.2697, 8.0], [644.6333, 1843.0], [645.0135, 8.0], [645.4097, 11.0], [645.6392, 518.0], [645.8764, 8.0], [646.0839, 8.0], [646.6027, 8.0], [647.2126, 8.0], [662.6451, 8.0], [788.6825, 11.0], [805.9059, 8.0], [806.6865, 1723.0], [806.9164, 17.0], [807.0714, 38.0], [807.4725, 15.0], [807.6906, 927.0], [808.0073, 11.0], [808.4569, 15.0], [808.66, 8.0], [809.4437, 11.0], [836.5047, 8.0], [904.7298, 8.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 41:2;O3 | HexCer 18:1;O2/23:1;O # [M+H]+  @RT 15.4 min (LMPTD00000288)", "MOLECULEMASS": "812.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "71", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "811.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "812.186300", "SPLASH": "splash10-03di-0090008000-029d558d6e86d9dc1884"}, "peaks": [[103.061, 93.0], [109.1034, 62.0], [111.1109, 62.0], [121.0987, 156.0], [123.1232, 62.0], [133.092, 93.0], [135.1185, 62.0], [148.1089, 62.0], [151.1469, 93.0], [165.1627, 62.0], [175.1307, 62.0], [179.1749, 62.0], [184.0732, 124.0], [211.2035, 218.0], [233.225, 156.0], [236.2395, 342.0], [237.2372, 62.0], [238.252, 249.0], [247.2384, 187.0], [250.2545, 2054.0], [252.2686, 1805.0], [253.2665, 218.0], [263.4002, 62.0], [264.2683, 10000.0], [264.7038, 62.0], [264.865, 62.0], [265.2718, 996.0], [265.9539, 62.0], [268.2646, 280.0], [282.28, 1338.0], [290.2298, 62.0], [333.3185, 62.0], [350.3352, 249.0], [361.2851, 62.0], [366.3551, 62.0], [368.3486, 280.0], [369.3298, 62.0], [380.3511, 187.0], [380.8805, 62.0], [387.3298, 62.0], [391.3207, 436.0], [392.3463, 62.0], [394.3599, 124.0], [410.3688, 187.0], [420.3989, 62.0], [444.3366, 187.0], [574.5906, 62.0], [586.599, 218.0], [602.5855, 3049.0], [603.587, 685.0], [603.9276, 62.0], [614.1006, 62.0], [614.5865, 7673.0], [615.5913, 1680.0], [615.758, 62.0], [616.6033, 871.0], [617.6091, 187.0], [632.5966, 2738.0], [633.0832, 124.0], [633.6031, 560.0], [776.6512, 62.0], [794.6522, 933.0], [795.6572, 124.0], [812.6353, 62.0], [813.5838, 62.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 44:3;O2 | HexCer 18:1;O2/26:2 # [M+H]+  @RT 19.1 min (LMPTD00000336)", "MOLECULEMASS": "836.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "73", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "835.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "836.186300", "SPLASH": "splash10-03di-0090002010-451ddfcf14263ee1d077"}, "peaks": [[109.1034, 21.0], [111.118, 21.0], [121.1001, 57.0], [123.1157, 31.0], [125.1335, 10.0], [127.0354, 10.0], [133.0979, 21.0], [135.115, 31.0], [137.1288, 21.0], [149.134, 57.0], [151.1505, 10.0], [165.1627, 21.0], [175.1278, 10.0], [179.171, 21.0], [198.2205, 10.0], [211.212, 31.0], [212.2071, 10.0], [229.2124, 10.0], [233.2076, 10.0], [233.4648, 10.0], [236.2359, 10.0], [245.2279, 10.0], [247.2428, 136.0], [250.2501, 178.0], [251.2612, 26.0], [251.941, 10.0], [252.0382, 10.0], [252.2681, 791.0], [252.5244, 10.0], [252.9948, 10.0], [253.2721, 114.0], [254.267, 10.0], [261.2507, 10.0], [261.3728, 16.0], [262.2517, 1542.0], [263.1078, 10.0], [263.2586, 120.0], [263.3934, 52.0], [263.5383, 10.0], [263.8531, 10.0], [264.0421, 21.0], [264.2685, 10000.0], [264.4235, 26.0], [264.5464, 10.0], [264.6161, 21.0], [264.7157, 10.0], [264.8651, 10.0], [264.9731, 26.0], [265.081, 10.0], [265.1309, 10.0], [265.273, 921.0], [265.46, 10.0], [265.6074, 10.0], [265.7709, 10.0], [265.9124, 10.0], [265.9789, 10.0], [266.0954, 10.0], [266.2845, 157.0], [277.2539, 10.0], [280.264, 173.0], [281.2695, 10.0], [282.0279, 10.0], [282.2793, 1221.0], [282.4772, 10.0], [283.2814, 94.0], [290.2781, 52.0], [291.2825, 16.0], [293.3011, 10.0], [305.2983, 21.0], [307.274, 10.0], [308.2892, 10.0], [310.297, 10.0], [332.2855, 10.0], [345.3519, 10.0], [357.3492, 10.0], [373.3551, 10.0], [375.3606, 73.0], [391.2961, 10.0], [391.3869, 10.0], [392.3855, 47.0], [404.3868, 31.0], [406.4059, 10.0], [409.3115, 10.0], [416.3917, 21.0], [417.4021, 10.0], [434.4023, 57.0], [436.4283, 10.0], [442.3134, 21.0], [444.3296, 120.0], [445.3195, 10.0], [537.4819, 10.0], [549.5033, 21.0], [563.4962, 31.0], [565.5159, 21.0], [609.5902, 10.0], [621.5956, 21.0], [626.0938, 10.0], [626.6273, 324.0], [627.6257, 78.0], [627.8695, 10.0], [636.5284, 10.0], [638.3575, 10.0], [638.6243, 1552.0], [638.9248, 16.0], [639.6257, 250.0], [640.6359, 501.0], [641.6397, 42.0], [641.946, 10.0], [654.4751, 10.0], [654.6112, 10.0], [655.2876, 10.0], [656.1655, 10.0], [656.2831, 10.0], [656.6345, 1927.0], [656.8639, 10.0], [657.0096, 21.0], [657.316, 10.0], [657.6367, 459.0], [658.0226, 10.0], [698.6599, 10.0], [762.1039, 10.0], [800.6494, 10.0], [818.6858, 875.0], [819.1102, 10.0], [819.6929, 356.0], [833.9169, 10.0], [835.6738, 225.0], [836.4972, 10.0], [836.6758, 534.0], [836.999, 10.0], [837.2116, 16.0], [837.6564, 52.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 44:3;O3 | HexCer 18:1;O2/26:2;O # [M+H]+  @RT 17.9 min (LMPTD00000351)", "MOLECULEMASS": "852.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "74", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "851.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "852.186300", "SPLASH": "splash10-0ik9-0090006010-54f9769571b9c90b6b67"}, "peaks": [[109.1027, 119.0], [121.1044, 148.0], [125.1278, 45.0], [133.1123, 30.0], [135.1161, 148.0], [137.1353, 89.0], [148.1202, 30.0], [149.1372, 89.0], [151.1506, 59.0], [152.1459, 30.0], [161.1291, 45.0], [163.1467, 30.0], [165.1656, 30.0], [207.2006, 30.0], [209.1931, 45.0], [211.2034, 74.0], [212.2072, 30.0], [215.1156, 30.0], [247.2423, 297.0], [248.2498, 45.0], [249.2436, 30.0], [250.2501, 475.0], [251.4392, 30.0], [252.2675, 1455.0], [252.6623, 30.0], [253.2755, 59.0], [254.051, 30.0], [254.2299, 30.0], [254.2807, 59.0], [262.2515, 1885.0], [263.0251, 30.0], [263.2587, 208.0], [263.3893, 59.0], [264.0438, 30.0], [264.2689, 10000.0], [264.5037, 74.0], [264.8486, 30.0], [265.2699, 919.0], [265.372, 30.0], [265.4717, 59.0], [265.796, 45.0], [266.2856, 445.0], [267.2738, 30.0], [268.222, 30.0], [277.2625, 30.0], [278.2913, 30.0], [280.262, 252.0], [281.261, 30.0], [282.2808, 1529.0], [282.3745, 30.0], [283.2893, 119.0], [283.6963, 30.0], [284.2502, 30.0], [287.2823, 30.0], [289.266, 45.0], [290.2865, 89.0], [296.267, 45.0], [298.2814, 30.0], [301.2759, 30.0], [312.2937, 30.0], [326.3142, 45.0], [331.3284, 59.0], [332.3229, 45.0], [345.3551, 74.0], [363.3636, 30.0], [373.3448, 59.0], [380.403, 30.0], [390.3705, 74.0], [392.3978, 59.0], [394.2994, 45.0], [404.4132, 59.0], [406.3752, 30.0], [408.3907, 59.0], [409.3013, 30.0], [418.3555, 45.0], [420.3881, 89.0], [422.389, 45.0], [432.3851, 74.0], [442.3174, 30.0], [444.3315, 104.0], [445.3305, 30.0], [448.4171, 30.0], [450.3899, 59.0], [472.4204, 30.0], [528.4667, 30.0], [530.5027, 30.0], [539.4711, 30.0], [548.5265, 30.0], [558.5131, 30.0], [565.5322, 30.0], [578.5111, 59.0], [579.535, 30.0], [580.5499, 45.0], [593.5415, 30.0], [608.6136, 30.0], [609.6084, 45.0], [614.6195, 30.0], [624.6141, 45.0], [625.6218, 30.0], [626.6197, 356.0], [641.2355, 30.0], [642.6167, 1455.0], [643.6216, 297.0], [652.4594, 30.0], [653.2155, 30.0], [654.1416, 45.0], [654.6202, 5514.0], [654.849, 74.0], [655.1728, 45.0], [655.6203, 1247.0], [656.6347, 1010.0], [657.6339, 193.0], [672.6321, 1692.0], [673.0723, 30.0], [673.6346, 490.0], [674.4837, 30.0], [674.6559, 30.0], [816.6666, 45.0], [834.6771, 327.0], [835.6897, 208.0], [851.6699, 831.0], [851.9884, 59.0], [852.6687, 2108.0], [853.6601, 148.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 44:2;O3 | HexCer 18:1;O2/26:1;O # [M+H]+  @RT 23.0 min (LMPTD00000293)", "MOLECULEMASS": "854.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "75", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "853.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "854.186300", "SPLASH": "splash10-08fr-0090007000-b37141521c48816812a4"}, "peaks": [[109.0992, 101.0], [110.1021, 20.0], [111.0786, 20.0], [121.1011, 161.0], [123.1196, 80.0], [125.1162, 60.0], [135.1184, 121.0], [136.1225, 30.0], [137.1303, 60.0], [149.1413, 40.0], [151.1456, 70.0], [163.1444, 50.0], [165.1625, 20.0], [171.0963, 20.0], [173.1109, 20.0], [175.144, 20.0], [179.1776, 20.0], [186.1555, 20.0], [200.1716, 20.0], [211.2037, 91.0], [236.2323, 40.0], [247.2384, 282.0], [248.2374, 20.0], [252.2675, 1609.0], [253.2741, 161.0], [254.283, 40.0], [259.2406, 20.0], [263.2813, 20.0], [263.3889, 30.0], [263.7782, 50.0], [264.075, 30.0], [264.1377, 30.0], [264.2684, 10000.0], [264.5013, 50.0], [264.6739, 20.0], [264.7818, 30.0], [265.2682, 865.0], [265.4076, 20.0], [265.7291, 20.0], [266.2798, 171.0], [267.2997, 20.0], [276.286, 30.0], [277.279, 40.0], [282.2801, 1398.0], [283.2759, 91.0], [284.2719, 20.0], [287.2992, 20.0], [289.2743, 20.0], [291.2363, 40.0], [299.5688, 20.0], [333.2997, 20.0], [347.3645, 60.0], [375.3616, 40.0], [392.3864, 141.0], [394.4001, 40.0], [406.3952, 30.0], [410.3967, 322.0], [416.3972, 20.0], [422.3967, 161.0], [423.3956, 30.0], [434.3864, 60.0], [444.3318, 91.0], [450.4044, 40.0], [452.4081, 151.0], [461.4944, 20.0], [502.48, 20.0], [616.6441, 60.0], [626.6255, 80.0], [628.6419, 161.0], [638.6285, 40.0], [640.6662, 20.0], [644.6368, 1400.0], [645.0773, 20.0], [645.6406, 342.0], [646.8927, 20.0], [655.407, 30.0], [655.825, 30.0], [656.6336, 5466.0], [656.9163, 20.0], [657.0101, 20.0], [657.6347, 1217.0], [657.8692, 40.0], [658.6511, 754.0], [659.0038, 20.0], [659.6526, 161.0], [660.4715, 20.0], [662.5973, 20.0], [674.6437, 2140.0], [674.9399, 30.0], [675.6438, 422.0], [680.6447, 20.0], [685.4449, 50.0], [769.5861, 20.0], [836.6972, 382.0], [837.7014, 121.0], [853.6857, 20.0], [854.7146, 30.0], [855.5799, 30.0], [855.7158, 30.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 34:1;O2 | HexCer 18:1;O2/16:0 # [M+H]+  @RT 7.0 min (LMPTD00000333)", "MOLECULEMASS": "700.1862", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "76", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "699.1789", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "700.186200", "SPLASH": "splash10-03k9-0090062000-b04fc914ab3dd1ac9a28"}, "peaks": [[121.103, 71.0], [135.1186, 35.0], [211.2199, 35.0], [221.0828, 71.0], [224.2375, 106.0], [236.2372, 671.0], [237.2484, 53.0], [247.2321, 106.0], [252.2692, 813.0], [253.2141, 35.0], [253.2756, 35.0], [254.2578, 35.0], [256.2631, 212.0], [263.3935, 53.0], [263.8974, 35.0], [264.1516, 35.0], [264.2691, 10000.0], [264.4834, 35.0], [264.5265, 35.0], [264.9317, 35.0], [265.2732, 742.0], [265.372, 35.0], [265.7877, 35.0], [266.2824, 141.0], [278.2843, 565.0], [279.3051, 35.0], [282.2817, 777.0], [283.0436, 35.0], [283.2792, 71.0], [284.2895, 53.0], [295.1177, 71.0], [296.2951, 106.0], [298.114, 53.0], [298.2726, 35.0], [444.3339, 177.0], [490.494, 883.0], [491.5006, 53.0], [501.8176, 35.0], [502.5001, 2580.0], [503.5035, 265.0], [504.519, 565.0], [505.5121, 106.0], [518.6774, 35.0], [519.6538, 35.0], [520.1541, 53.0], [520.5118, 5505.0], [520.8641, 53.0], [521.5136, 830.0], [521.9592, 35.0], [522.8221, 35.0], [682.5626, 3463.0], [682.8837, 35.0], [683.5701, 742.0], [683.6972, 35.0], [700.6497, 53.0], [701.5143, 35.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 36:1;O3 | HexCer 18:1;O2/18:0;O # [M+H]+  @RT 9.6 min (LMPTD00000280)", "MOLECULEMASS": "744.1862", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "77", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "743.1789", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "744.186200", "SPLASH": "splash10-03dj-0060090000-8428cf8bedbbc9420e60"}, "peaks": [[107.0861, 42.0], [107.9712, 21.0], [109.1003, 42.0], [111.1217, 21.0], [112.1135, 21.0], [121.102, 148.0], [125.1334, 21.0], [127.0354, 21.0], [135.1181, 127.0], [137.1304, 21.0], [149.1325, 53.0], [163.1494, 21.0], [165.1609, 42.0], [177.1335, 21.0], [211.2049, 148.0], [221.2344, 21.0], [236.2515, 21.0], [247.2415, 550.0], [247.4745, 21.0], [252.2675, 1577.0], [253.2761, 106.0], [263.4002, 21.0], [264.2686, 10000.0], [264.3878, 32.0], [264.5372, 42.0], [264.5927, 21.0], [264.7322, 32.0], [264.8152, 32.0], [264.8816, 32.0], [264.9958, 53.0], [265.268, 826.0], [266.2881, 85.0], [282.2792, 1260.0], [283.2808, 148.0], [290.2419, 32.0], [293.2886, 21.0], [294.2835, 53.0], [300.2894, 815.0], [301.1606, 21.0], [301.2948, 74.0], [303.2715, 21.0], [310.2891, 42.0], [324.301, 53.0], [326.2679, 21.0], [340.2911, 42.0], [342.2975, 64.0], [373.3015, 32.0], [426.3489, 21.0], [444.3319, 159.0], [451.8677, 21.0], [506.537, 21.0], [516.5064, 42.0], [517.5223, 21.0], [518.5309, 64.0], [519.5216, 21.0], [534.5258, 1905.0], [535.5281, 423.0], [544.7239, 42.0], [545.3047, 21.0], [545.543, 21.0], [545.6741, 32.0], [545.829, 21.0], [546.0317, 21.0], [546.1509, 21.0], [546.3596, 21.0], [546.5258, 8671.0], [546.7346, 25.0], [546.8358, 32.0], [546.9858, 32.0], [547.2066, 42.0], [547.337, 21.0], [547.5315, 1048.0], [547.6781, 21.0], [548.2394, 21.0], [548.5389, 963.0], [548.801, 21.0], [548.9803, 21.0], [549.5445, 254.0], [549.7576, 21.0], [550.2362, 21.0], [564.5375, 5114.0], [565.537, 667.0], [565.7341, 21.0], [566.171, 21.0], [603.5264, 53.0], [605.546, 21.0], [606.5759, 21.0], [686.4415, 127.0], [687.4371, 21.0], [726.5917, 1101.0], [727.592, 339.0], [744.6217, 21.0], [745.5329, 21.0], [766.6032, 21.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 43:1;O2 | HexCer 18:1;O2/25:0 # [M+H]+  @RT 26.5 min (LMPTD00000350)", "MOLECULEMASS": "826.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "78", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "825.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "826.186300", "SPLASH": "splash10-03di-0090003010-ea07c29a375933cc7e9b"}, "peaks": [[101.0565, 20.0], [107.0828, 13.0], [108.7576, 13.0], [109.0984, 26.0], [111.1247, 20.0], [117.089, 13.0], [121.1056, 40.0], [123.1141, 26.0], [127.0355, 13.0], [149.0492, 26.0], [155.1242, 13.0], [163.1427, 13.0], [177.1549, 13.0], [187.0961, 13.0], [211.2054, 53.0], [239.2364, 13.0], [247.2442, 53.0], [250.2453, 20.0], [251.2646, 13.0], [252.1295, 13.0], [252.2681, 728.0], [253.2734, 66.0], [263.3879, 40.0], [263.6529, 20.0], [263.8352, 13.0], [264.0092, 13.0], [264.2686, 10000.0], [264.399, 20.0], [264.4529, 13.0], [264.4985, 13.0], [264.5768, 26.0], [264.7176, 13.0], [264.8471, 26.0], [264.9385, 26.0], [265.0464, 26.0], [265.2691, 1126.0], [265.6559, 26.0], [266.1321, 13.0], [266.2758, 46.0], [266.4104, 13.0], [267.3188, 13.0], [267.8112, 20.0], [278.283, 40.0], [281.3329, 20.0], [282.2793, 1079.0], [282.642, 13.0], [283.2819, 146.0], [292.3005, 13.0], [296.2952, 13.0], [303.2697, 13.0], [347.3489, 13.0], [382.4038, 199.0], [383.411, 40.0], [400.4184, 13.0], [406.4189, 13.0], [423.4241, 13.0], [444.329, 79.0], [445.333, 20.0], [522.4555, 13.0], [524.4749, 26.0], [538.4898, 13.0], [551.5313, 13.0], [552.5043, 33.0], [553.5082, 13.0], [571.4343, 13.0], [572.4784, 13.0], [580.4949, 13.0], [615.215, 13.0], [616.6385, 596.0], [617.6437, 146.0], [628.6379, 1203.0], [629.0527, 40.0], [629.6393, 252.0], [630.6502, 583.0], [631.6607, 79.0], [635.6212, 20.0], [645.4084, 13.0], [646.6475, 2319.0], [647.1602, 13.0], [647.6471, 503.0], [647.9409, 13.0], [648.6528, 20.0], [688.6613, 13.0], [808.6969, 1269.0], [808.9565, 13.0], [809.2849, 13.0], [809.7007, 258.0], [825.7215, 13.0], [826.7015, 172.0], [827.6804, 53.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "SHexCer 43:2;O3 | SHexCer 18:1;O2/25:1;O # [M+H]+  @RT 9.3 min (LMPTD00000316)", "MOLECULEMASS": "920.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "79", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "919.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "920.186300", "SPLASH": "splash10-03dl-0090007000-dcb6812b972f14ed5e51"}, "peaks": [[107.0771, 60.0], [109.1011, 60.0], [121.1014, 200.0], [123.1186, 40.0], [135.1182, 40.0], [136.1282, 40.0], [137.1275, 40.0], [147.0694, 80.0], [149.136, 60.0], [151.1339, 40.0], [207.0355, 120.0], [211.2082, 80.0], [212.2092, 40.0], [221.0816, 160.0], [247.2454, 200.0], [249.2421, 40.0], [250.2372, 80.0], [252.2701, 1443.0], [253.2793, 200.0], [256.2416, 40.0], [263.3877, 40.0], [264.2687, 10000.0], [264.5149, 60.0], [264.6062, 40.0], [265.1293, 40.0], [265.2735, 1363.0], [266.2893, 241.0], [268.2788, 40.0], [278.2768, 60.0], [282.0469, 40.0], [282.2795, 1123.0], [283.2821, 200.0], [310.2752, 40.0], [343.329, 40.0], [355.0838, 40.0], [378.377, 241.0], [380.3802, 40.0], [396.391, 401.0], [397.4058, 40.0], [406.3803, 40.0], [408.3837, 160.0], [409.391, 40.0], [420.3854, 200.0], [426.3269, 40.0], [438.392, 301.0], [439.4037, 40.0], [444.3353, 160.0], [522.4211, 40.0], [530.5099, 80.0], [602.6236, 80.0], [603.6217, 60.0], [612.6046, 40.0], [614.6246, 140.0], [615.6209, 40.0], [624.5903, 40.0], [630.6176, 1323.0], [631.6232, 521.0], [642.2507, 60.0], [642.6166, 5152.0], [643.0267, 60.0], [643.4925, 40.0], [643.6215, 1868.0], [644.6333, 1063.0], [644.9817, 40.0], [645.6416, 261.0], [659.562, 40.0], [660.6297, 2045.0], [661.6318, 561.0], [804.6603, 40.0], [822.6757, 682.0], [823.6734, 221.0], [824.6596, 40.0], [920.5791, 80.0], [921.7348, 40.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "SHexCer 42:2;O3 | SHexCer 18:1;O2/24:1;O # [M+H]+  @RT 8.0 min (LMPTD00000294)", "MOLECULEMASS": "906.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "80", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "905.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "906.186300", "SPLASH": "splash10-03fr-0080009000-dd992375560c7fd6a6ed"}, "peaks": [[107.0824, 42.0], [109.1021, 115.0], [111.1162, 42.0], [121.1013, 127.0], [123.1211, 63.0], [125.1357, 21.0], [127.0395, 53.0], [133.0976, 21.0], [135.1161, 84.0], [137.1346, 95.0], [145.0437, 21.0], [147.0661, 21.0], [147.1182, 21.0], [149.1361, 32.0], [151.1528, 21.0], [170.1961, 21.0], [179.1772, 21.0], [182.1533, 21.0], [189.1882, 21.0], [191.1864, 21.0], [193.2022, 21.0], [205.1898, 21.0], [207.2143, 21.0], [211.2054, 63.0], [219.1969, 21.0], [221.085, 21.0], [221.2107, 32.0], [223.2261, 21.0], [226.2088, 21.0], [235.2397, 32.0], [247.2438, 380.0], [248.2525, 42.0], [249.2502, 21.0], [251.4378, 32.0], [252.2669, 1487.0], [252.5014, 42.0], [253.272, 127.0], [254.2854, 21.0], [263.2802, 21.0], [263.4007, 42.0], [263.9788, 42.0], [264.2687, 10000.0], [264.3928, 38.0], [264.4819, 63.0], [264.5845, 42.0], [264.6785, 32.0], [264.7641, 32.0], [265.1045, 21.0], [265.2743, 1350.0], [265.4535, 32.0], [266.2828, 274.0], [266.4603, 21.0], [267.289, 42.0], [268.222, 21.0], [270.2446, 21.0], [279.2863, 21.0], [281.0626, 21.0], [282.0411, 42.0], [282.2802, 1086.0], [282.5528, 32.0], [283.2834, 190.0], [319.3363, 21.0], [324.2916, 21.0], [329.3234, 21.0], [337.3432, 84.0], [341.0201, 21.0], [341.3167, 21.0], [347.328, 63.0], [353.346, 21.0], [355.0648, 21.0], [359.3944, 21.0], [364.3608, 190.0], [365.3614, 32.0], [377.3318, 21.0], [378.3552, 21.0], [382.3648, 316.0], [383.3653, 63.0], [388.3722, 21.0], [391.2834, 21.0], [392.3495, 42.0], [394.3668, 179.0], [394.7019, 21.0], [406.3699, 53.0], [410.2898, 21.0], [424.3797, 148.0], [425.3874, 53.0], [426.3207, 32.0], [429.0839, 74.0], [434.3919, 21.0], [444.3367, 84.0], [445.3271, 32.0], [446.409, 21.0], [582.6121, 21.0], [583.573, 21.0], [588.6051, 63.0], [598.5898, 42.0], [600.6103, 231.0], [601.6126, 42.0], [610.5918, 42.0], [611.5825, 21.0], [616.6028, 1861.0], [617.0705, 21.0], [617.6088, 570.0], [617.8692, 21.0], [626.5171, 63.0], [627.5449, 42.0], [628.0562, 32.0], [628.2991, 21.0], [628.6004, 6308.0], [628.8577, 42.0], [629.021, 21.0], [629.1716, 21.0], [629.6059, 2840.0], [629.8539, 21.0], [630.0396, 21.0], [630.1548, 21.0], [630.2573, 32.0], [630.6166, 1023.0], [631.0773, 21.0], [631.6199, 348.0], [646.6089, 2354.0], [647.0438, 32.0], [647.6154, 770.0], [708.5659, 21.0], [790.6552, 42.0], [808.5149, 21.0], [808.6615, 675.0], [809.666, 463.0], [906.7038, 21.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 43:2;O2 | HexCer 18:1;O2/25:1 # [M+H]+  @RT 21.6 min (LMPTD00000284)", "MOLECULEMASS": "824.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "81", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "823.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "824.186300", "SPLASH": "splash10-03di-0090003010-b32dffbc08d17e4316f0"}, "peaks": [[107.0863, 14.0], [109.1014, 28.0], [111.1146, 14.0], [121.1013, 33.0], [123.1211, 6.0], [125.1309, 6.0], [127.0341, 6.0], [135.1179, 50.0], [137.1328, 6.0], [139.145, 6.0], [145.0562, 6.0], [149.1319, 11.0], [151.1492, 8.0], [163.1427, 6.0], [165.169, 6.0], [197.1872, 6.0], [198.2346, 6.0], [210.2345, 6.0], [211.2017, 31.0], [211.8354, 6.0], [212.2142, 6.0], [233.1917, 6.0], [235.2295, 6.0], [236.2322, 6.0], [238.2501, 17.0], [239.2135, 6.0], [247.2395, 100.0], [249.2431, 6.0], [250.2529, 206.0], [251.2549, 11.0], [252.2678, 757.0], [252.5078, 6.0], [253.2704, 50.0], [254.2864, 6.0], [263.3978, 31.0], [263.6108, 6.0], [263.7083, 6.0], [263.8155, 6.0], [263.8859, 6.0], [264.0211, 11.0], [264.0882, 11.0], [264.2679, 10000.0], [264.5025, 28.0], [264.5908, 11.0], [264.6566, 17.0], [264.7136, 11.0], [264.7817, 11.0], [264.8442, 17.0], [264.9676, 17.0], [265.1305, 6.0], [265.2694, 801.0], [265.3917, 6.0], [265.4872, 17.0], [265.5751, 11.0], [265.6957, 6.0], [265.7706, 6.0], [265.8621, 6.0], [265.9231, 8.0], [266.0368, 11.0], [266.1783, 6.0], [266.2795, 61.0], [266.7846, 6.0], [267.2837, 6.0], [267.3782, 6.0], [268.2646, 22.0], [268.3234, 11.0], [271.2631, 6.0], [277.279, 6.0], [278.2795, 11.0], [282.2781, 1106.0], [282.717, 11.0], [282.983, 6.0], [283.2869, 67.0], [283.4896, 6.0], [283.5927, 6.0], [284.2976, 6.0], [287.2213, 6.0], [289.2481, 11.0], [292.2581, 6.0], [299.2685, 6.0], [308.276, 6.0], [310.3038, 6.0], [349.2837, 17.0], [361.2695, 6.0], [363.3661, 100.0], [375.3881, 6.0], [379.1396, 6.0], [380.389, 113.0], [381.392, 11.0], [391.3057, 8.0], [392.3853, 33.0], [396.297, 6.0], [404.3882, 22.0], [406.3745, 6.0], [409.2903, 6.0], [418.3819, 6.0], [422.3996, 33.0], [423.4105, 6.0], [426.3084, 6.0], [432.4188, 11.0], [444.3301, 95.0], [445.3476, 11.0], [505.8018, 6.0], [523.4559, 8.0], [551.5011, 64.0], [552.5038, 17.0], [564.5085, 6.0], [565.3695, 6.0], [565.512, 14.0], [579.5446, 11.0], [579.9221, 6.0], [601.472, 6.0], [609.6001, 6.0], [613.5817, 6.0], [614.0494, 6.0], [614.6263, 384.0], [614.7702, 6.0], [615.1877, 6.0], [615.6238, 61.0], [616.6185, 6.0], [617.8987, 6.0], [624.5535, 11.0], [625.5314, 8.0], [626.2972, 8.0], [626.6232, 1392.0], [626.8898, 6.0], [627.0092, 14.0], [627.6245, 161.0], [627.9198, 6.0], [628.1457, 11.0], [628.2395, 6.0], [628.6405, 517.0], [628.792, 6.0], [628.879, 6.0], [629.1605, 6.0], [629.6407, 100.0], [631.6199, 6.0], [642.5269, 6.0], [643.4972, 6.0], [643.7043, 6.0], [643.9503, 8.0], [644.2092, 17.0], [644.4235, 17.0], [644.6323, 2230.0], [644.9735, 11.0], [645.1438, 6.0], [645.2586, 6.0], [645.3687, 8.0], [645.6354, 610.0], [645.7914, 8.0], [645.9197, 6.0], [646.0104, 6.0], [646.109, 6.0], [646.5163, 6.0], [646.646, 8.0], [647.2819, 6.0], [647.5259, 6.0], [650.583, 8.0], [683.5856, 11.0], [764.3552, 6.0], [788.6682, 6.0], [789.694, 6.0], [804.0217, 6.0], [806.4042, 6.0], [806.6868, 1196.0], [806.9114, 6.0], [807.0418, 17.0], [807.2737, 8.0], [807.5057, 11.0], [807.689, 256.0], [807.871, 6.0], [823.6609, 6.0], [824.6573, 111.0], [825.5413, 6.0], [825.6671, 22.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "SHexCer 41:1;O2 | SHexCer 18:1;O2/23:0 # [M+H]+  @RT 10.1 min (LMPTD00000321)", "MOLECULEMASS": "878.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "82", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "877.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "878.186300", "SPLASH": "splash10-03di-0090004100-8f63a929d284a10dfe0f"}, "peaks": [[175.1232, 55.0], [215.1369, 55.0], [217.1029, 274.0], [247.244, 55.0], [250.258, 55.0], [252.2677, 875.0], [252.3851, 55.0], [253.274, 55.0], [263.396, 109.0], [264.1328, 131.0], [264.2689, 10000.0], [264.4652, 55.0], [264.5647, 55.0], [265.2718, 1204.0], [282.2792, 1340.0], [283.2821, 55.0], [354.3678, 219.0], [395.3811, 82.0], [444.3289, 137.0], [588.6036, 438.0], [599.5049, 55.0], [600.608, 2352.0], [601.613, 328.0], [602.621, 438.0], [603.6198, 219.0], [618.6194, 3173.0], [619.6228, 848.0], [685.4336, 109.0], [780.6709, 1778.0], [781.6731, 739.0], [861.6274, 55.0], [878.7147, 82.0], [879.7222, 55.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 41:2;O2 | HexCer 18:1;O2/23:1 # [M+H]+  @RT 16.4 min (LMPTD00000313)", "MOLECULEMASS": "796.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "83", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "795.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "796.186300", "SPLASH": "splash10-03di-0090013100-02f5bb9709ce175613d4"}, "peaks": [[117.0998, 88.0], [121.1054, 57.0], [135.1185, 57.0], [202.59, 57.0], [236.2377, 496.0], [238.252, 350.0], [239.269, 57.0], [247.2419, 117.0], [250.2539, 2277.0], [251.245, 57.0], [252.2656, 817.0], [253.2437, 117.0], [254.246, 57.0], [263.4024, 88.0], [264.2684, 10000.0], [265.2737, 876.0], [266.0787, 57.0], [268.2626, 292.0], [282.2805, 1109.0], [335.3149, 57.0], [352.3367, 117.0], [364.356, 57.0], [376.3537, 57.0], [444.3319, 146.0], [510.4486, 57.0], [523.4819, 57.0], [543.4501, 57.0], [551.4935, 57.0], [571.4641, 57.0], [586.5913, 642.0], [587.59, 88.0], [598.5909, 2102.0], [599.5973, 292.0], [600.6037, 642.0], [601.6187, 117.0], [616.6047, 3211.0], [616.7459, 57.0], [617.6058, 759.0], [617.74, 57.0], [655.565, 613.0], [656.5778, 234.0], [739.5715, 175.0], [755.3485, 117.0], [778.6601, 1518.0], [779.6527, 292.0], [796.5546, 57.0], [796.6842, 57.0], [797.6516, 263.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "SHexCer 36:1;O2 | SHexCer 18:1;O2/18:0 # [M+H]+  @RT 4.1 min (LMPTD00000287)", "MOLECULEMASS": "808.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "84", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "807.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "808.186300", "SPLASH": "splash10-03di-0090030100-7a7977725f1e43459678"}, "peaks": [[109.1021, 57.0], [121.1051, 28.0], [151.1532, 28.0], [195.1504, 28.0], [211.228, 28.0], [247.2456, 175.0], [252.2677, 714.0], [253.2722, 57.0], [254.8635, 28.0], [263.4128, 57.0], [263.7938, 28.0], [264.0176, 28.0], [264.0839, 44.0], [264.2687, 10000.0], [264.4903, 28.0], [264.5567, 28.0], [264.7061, 44.0], [264.7974, 44.0], [264.9801, 57.0], [265.2724, 1515.0], [265.3664, 28.0], [266.2905, 44.0], [266.4354, 28.0], [267.282, 28.0], [276.0644, 28.0], [278.2862, 57.0], [282.2799, 1005.0], [283.2846, 117.0], [284.295, 204.0], [285.3125, 28.0], [296.3108, 28.0], [325.3214, 28.0], [338.3465, 28.0], [444.338, 117.0], [518.5305, 524.0], [518.7539, 28.0], [519.5346, 117.0], [530.5282, 1632.0], [531.5324, 379.0], [531.6382, 28.0], [532.5478, 495.0], [533.5462, 204.0], [548.5386, 2267.0], [549.5396, 597.0], [566.5424, 28.0], [633.5137, 28.0], [692.5708, 28.0], [710.59, 1847.0], [710.9432, 28.0], [711.5938, 801.0], [808.5278, 57.0], [809.6597, 44.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 41:0;O3 | HexCer 18:0;O2/23:0;O # [M+H]+  @RT 23.7 min (LMPTD00000338)", "MOLECULEMASS": "816.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "85", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "815.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "816.186300", "SPLASH": "splash10-000i-0010009000-008c8447ee08ea2e6741"}, "peaks": [[107.0915, 8.0], [109.1029, 28.0], [111.1172, 24.0], [123.1164, 14.0], [124.1194, 4.0], [125.1332, 16.0], [127.1617, 4.0], [137.1331, 12.0], [139.1469, 4.0], [155.1684, 4.0], [156.1295, 4.0], [165.1649, 4.0], [167.1812, 6.0], [184.0702, 12.0], [185.0845, 4.0], [193.1981, 8.0], [211.115, 4.0], [223.2185, 4.0], [233.2142, 4.0], [240.2701, 18.0], [249.2597, 16.0], [252.2683, 8.0], [253.2695, 6.0], [254.28, 40.0], [264.2668, 32.0], [265.2707, 16.0], [266.2845, 524.0], [267.2862, 40.0], [268.2908, 4.0], [269.3998, 4.0], [282.287, 4.0], [283.348, 8.0], [283.893, 6.0], [284.047, 4.0], [284.294, 893.0], [284.5105, 10.0], [284.7783, 4.0], [285.0158, 4.0], [285.2956, 61.0], [285.4589, 4.0], [285.6486, 4.0], [286.2611, 8.0], [294.2838, 6.0], [295.3087, 4.0], [296.2967, 6.0], [302.3061, 135.0], [303.3029, 16.0], [310.2754, 8.0], [312.2917, 8.0], [317.3207, 4.0], [335.3382, 16.0], [352.3598, 121.0], [353.3483, 12.0], [364.3634, 4.0], [369.1706, 4.0], [370.3673, 603.0], [370.5638, 6.0], [370.6817, 4.0], [370.8585, 4.0], [371.371, 77.0], [396.3862, 4.0], [411.3891, 8.0], [412.3747, 14.0], [413.3855, 4.0], [437.1289, 4.0], [472.3391, 4.0], [477.9328, 4.0], [493.9587, 4.0], [520.4175, 4.0], [526.1127, 4.0], [533.287, 4.0], [545.4486, 4.0], [580.2746, 4.0], [580.8278, 4.0], [590.6316, 6.0], [592.61, 4.0], [600.6049, 12.0], [606.6109, 54.0], [615.6519, 4.0], [616.5915, 4.0], [617.3493, 4.0], [617.6043, 6.0], [617.7354, 4.0], [618.1228, 6.0], [618.6161, 1128.0], [618.8785, 8.0], [619.1162, 10.0], [619.6216, 119.0], [620.4844, 6.0], [620.6187, 4.0], [620.8148, 6.0], [621.2598, 4.0], [622.163, 4.0], [624.1626, 4.0], [633.5532, 4.0], [634.0413, 4.0], [634.4054, 4.0], [634.5198, 28.0], [634.6581, 8.0], [634.8638, 6.0], [635.2366, 8.0], [635.3738, 8.0], [635.4981, 12.0], [635.5936, 14.0], [635.8996, 12.0], [636.1108, 22.0], [636.2442, 24.0], [636.3601, 16.0], [636.6268, 10000.0], [637.0155, 24.0], [637.2333, 20.0], [637.3622, 8.0], [637.4717, 16.0], [637.6313, 1812.0], [637.9722, 28.0], [638.2061, 12.0], [638.3222, 4.0], [638.4392, 12.0], [638.6298, 8.0], [638.8885, 4.0], [639.1075, 6.0], [639.2445, 12.0], [639.6333, 12.0], [639.8871, 4.0], [640.0084, 8.0], [640.313, 6.0], [641.4108, 4.0], [641.9924, 4.0], [642.6777, 8.0], [643.5187, 6.0], [643.7258, 4.0], [646.8621, 4.0], [648.1084, 6.0], [650.4224, 4.0], [652.1931, 4.0], [652.5189, 8.0], [653.4445, 4.0], [653.575, 6.0], [654.149, 4.0], [654.2534, 6.0], [654.4569, 6.0], [654.639, 1673.0], [654.8695, 4.0], [655.0235, 6.0], [655.3369, 4.0], [655.6396, 300.0], [656.0293, 6.0], [656.6044, 6.0], [656.709, 10.0], [657.1461, 4.0], [657.4806, 4.0], [660.4142, 4.0], [660.5978, 4.0], [662.0541, 4.0], [665.6032, 4.0], [678.637, 4.0], [737.7046, 4.0], [798.6784, 36.0], [799.6827, 16.0], [816.6728, 14.0], [817.6654, 4.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:2;O3 | HexCer 18:2;O2/24:0;O # [M+H]+  @RT 17.5 min (LMPTD00000314)", "MOLECULEMASS": "826.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "86", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "825.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "826.186300", "SPLASH": "splash10-03fr-0090006000-4c8b3ed1cfc71f6b671e"}, "peaks": [[101.0771, 59.0], [113.0667, 59.0], [121.1022, 118.0], [123.1137, 88.0], [135.1193, 118.0], [149.1341, 88.0], [163.1494, 59.0], [167.0735, 88.0], [185.1197, 59.0], [233.2224, 59.0], [245.2316, 236.0], [247.2362, 88.0], [250.2531, 1711.0], [251.257, 59.0], [252.2692, 295.0], [253.278, 59.0], [262.253, 10000.0], [262.412, 59.0], [262.5675, 59.0], [263.2575, 590.0], [264.0245, 59.0], [264.2669, 2389.0], [264.4905, 59.0], [264.6731, 59.0], [265.2718, 413.0], [266.2858, 59.0], [279.3037, 59.0], [280.2621, 914.0], [282.2795, 354.0], [285.2351, 59.0], [288.2329, 59.0], [332.3302, 59.0], [347.3397, 59.0], [359.2688, 59.0], [366.3711, 236.0], [382.3731, 59.0], [384.3871, 413.0], [385.3972, 147.0], [394.3733, 59.0], [408.3699, 59.0], [424.3757, 118.0], [426.3902, 88.0], [442.3111, 88.0], [552.5078, 59.0], [553.5327, 59.0], [600.5919, 118.0], [612.5917, 59.0], [616.6023, 1386.0], [617.6014, 236.0], [626.4839, 59.0], [628.0215, 118.0], [628.5989, 5522.0], [628.9099, 118.0], [629.5986, 1357.0], [630.6173, 826.0], [631.6168, 206.0], [645.5386, 59.0], [646.6074, 1888.0], [647.6176, 472.0], [685.5993, 88.0], [808.6616, 324.0], [809.6656, 177.0], [825.644, 177.0], [826.4701, 59.0], [826.6599, 531.0], [827.6879, 147.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 44:1;O3 | HexCer 18:1;O2/26:0;O # [M+H]+  | HexCer 44:1;O3 | HexCer 20:1;O2/24:0;O # [M+H]+  @RT 28.4 min (LMPTD00000347)", "MOLECULEMASS": "856.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "87", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "855.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "856.186300", "SPLASH": "splash10-08fr-0090007000-cc793beb895b25f2f4e1"}, "peaks": [[101.0259, 13.0], [107.082, 38.0], [109.1039, 44.0], [110.1057, 25.0], [111.0792, 13.0], [115.0524, 13.0], [121.1024, 164.0], [123.1183, 56.0], [125.1314, 13.0], [127.0358, 38.0], [127.1533, 13.0], [135.1179, 113.0], [137.1341, 25.0], [145.0505, 19.0], [151.1471, 13.0], [156.1556, 13.0], [163.143, 19.0], [165.1641, 25.0], [177.1756, 13.0], [192.1901, 13.0], [193.1957, 13.0], [195.1935, 13.0], [197.2016, 13.0], [200.5977, 13.0], [211.2015, 107.0], [233.2382, 13.0], [236.2162, 13.0], [239.2447, 19.0], [247.2457, 177.0], [250.2471, 13.0], [251.4176, 13.0], [252.2685, 1677.0], [252.658, 13.0], [252.8642, 13.0], [253.272, 139.0], [262.2552, 13.0], [263.2393, 13.0], [263.289, 13.0], [263.4049, 38.0], [263.766, 13.0], [263.989, 25.0], [264.269, 10000.0], [264.4688, 25.0], [264.6097, 13.0], [264.7106, 25.0], [264.8096, 13.0], [264.9556, 13.0], [265.0901, 13.0], [265.2727, 960.0], [265.4042, 13.0], [265.5173, 25.0], [265.8061, 25.0], [265.978, 13.0], [266.285, 139.0], [266.6274, 13.0], [266.6857, 13.0], [267.3003, 25.0], [267.4194, 13.0], [275.2732, 51.0], [276.2632, 25.0], [278.2844, 69.0], [280.3044, 442.0], [280.6869, 13.0], [281.3061, 38.0], [281.979, 13.0], [282.279, 1030.0], [282.6391, 13.0], [282.905, 13.0], [283.2867, 63.0], [290.2424, 13.0], [291.3386, 13.0], [292.299, 1966.0], [293.1826, 13.0], [293.306, 113.0], [294.2996, 25.0], [296.3095, 13.0], [305.2459, 19.0], [310.3146, 240.0], [311.3138, 19.0], [320.3313, 13.0], [349.2728, 19.0], [366.3825, 38.0], [377.3764, 32.0], [384.3812, 82.0], [391.2837, 13.0], [394.4059, 271.0], [395.412, 51.0], [412.2455, 13.0], [412.4153, 758.0], [413.4209, 76.0], [418.3962, 13.0], [419.3648, 25.0], [423.4143, 13.0], [424.4185, 19.0], [424.4963, 13.0], [425.4071, 19.0], [426.3228, 13.0], [436.4254, 25.0], [437.4065, 13.0], [444.3366, 126.0], [452.4071, 25.0], [453.4495, 19.0], [454.4298, 32.0], [472.3947, 13.0], [521.6869, 13.0], [552.4482, 13.0], [565.5477, 13.0], [600.6495, 13.0], [628.6403, 44.0], [630.6552, 139.0], [631.6539, 13.0], [640.6363, 38.0], [642.574, 13.0], [645.1632, 13.0], [646.6493, 1694.0], [646.9786, 25.0], [647.1993, 19.0], [647.3031, 13.0], [647.6475, 290.0], [647.8614, 13.0], [648.0692, 19.0], [648.6927, 13.0], [656.4821, 13.0], [657.169, 13.0], [657.5065, 19.0], [658.2917, 19.0], [658.6473, 5566.0], [658.9769, 13.0], [659.2738, 32.0], [659.6494, 1424.0], [659.9748, 13.0], [660.0862, 13.0], [660.1648, 19.0], [660.4445, 25.0], [660.6616, 952.0], [660.8361, 13.0], [661.2577, 13.0], [661.4239, 25.0], [661.6675, 265.0], [662.0013, 19.0], [662.6653, 13.0], [675.4318, 13.0], [676.6589, 2357.0], [676.9442, 19.0], [677.0958, 13.0], [677.4553, 25.0], [677.6632, 499.0], [678.2545, 25.0], [678.7108, 13.0], [717.6936, 13.0], [719.6905, 13.0], [820.7059, 25.0], [838.7091, 316.0], [839.7132, 82.0], [856.677, 32.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "Hex2Cer 38:1;O2 | Hex2Cer 18:1;O2/20:0 # [M+H]+  | Hex2Cer 38:1;O2 | Hex2Cer 20:1;O2/18:0 # [M+H]+  @RT 12.4 min (LMPTD00000343)", "MOLECULEMASS": "918.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "88", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "917.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "918.186300", "SPLASH": "splash10-03fr-0090040000-1172bec7ac95a6b2e203"}, "peaks": [[109.1038, 41.0], [121.1066, 81.0], [127.0391, 24.0], [137.1306, 16.0], [145.0534, 56.0], [149.1365, 49.0], [151.1489, 33.0], [165.1626, 16.0], [193.1955, 16.0], [211.2056, 56.0], [219.2199, 16.0], [224.244, 33.0], [236.2384, 284.0], [247.2468, 65.0], [252.2665, 888.0], [252.5639, 16.0], [253.2752, 73.0], [254.2471, 41.0], [255.0673, 16.0], [263.3928, 33.0], [263.9348, 16.0], [264.0509, 16.0], [264.269, 10000.0], [264.5112, 65.0], [264.688, 16.0], [264.7942, 16.0], [264.8723, 16.0], [264.9687, 16.0], [265.0841, 24.0], [265.2727, 1383.0], [265.4455, 16.0], [265.5702, 16.0], [266.2801, 33.0], [268.8979, 16.0], [269.9866, 16.0], [275.2734, 24.0], [280.3004, 309.0], [281.3127, 33.0], [282.2794, 1573.0], [283.2828, 227.0], [284.2919, 65.0], [291.4639, 16.0], [292.2991, 2825.0], [292.545, 16.0], [293.3034, 252.0], [293.6193, 16.0], [294.3241, 16.0], [296.2917, 16.0], [298.1652, 16.0], [310.3103, 276.0], [311.3118, 49.0], [312.3286, 309.0], [313.3215, 24.0], [336.3258, 16.0], [343.1308, 24.0], [354.3346, 16.0], [444.3262, 24.0], [546.5571, 520.0], [547.567, 211.0], [548.5813, 24.0], [558.561, 1557.0], [558.8939, 16.0], [559.5608, 276.0], [559.7265, 16.0], [559.992, 16.0], [560.5791, 423.0], [561.5823, 73.0], [574.6468, 16.0], [575.6379, 16.0], [576.5717, 5330.0], [576.9171, 49.0], [577.5723, 1268.0], [577.8923, 16.0], [619.5437, 16.0], [738.6264, 130.0], [739.627, 65.0], [900.6759, 455.0], [901.6708, 179.0], [918.5301, 24.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:3;O2 | HexCer 18:1;O2/24:2 # [M+H]+  | HexCer 42:3;O2 | HexCer 18:2;O2/24:1 # [M+H]+  @RT 14.3 min (LMPTD00000326)", "MOLECULEMASS": "808.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "89", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "807.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "808.186300", "SPLASH": "splash10-03di-0090003000-cdf5b053820e6c2c5614"}, "peaks": [[105.0649, 18.0], [107.0826, 18.0], [109.0995, 64.0], [111.1144, 14.0], [117.0846, 9.0], [121.1005, 55.0], [122.2231, 9.0], [123.1159, 32.0], [127.0381, 9.0], [133.0989, 14.0], [135.1158, 46.0], [136.117, 9.0], [147.1118, 18.0], [149.0846, 9.0], [149.1336, 46.0], [151.1458, 23.0], [155.7036, 9.0], [159.1256, 14.0], [161.1321, 14.0], [163.1525, 37.0], [165.1587, 18.0], [167.2021, 9.0], [168.1799, 9.0], [173.1116, 9.0], [177.6451, 9.0], [191.1808, 9.0], [197.3459, 9.0], [205.2011, 14.0], [207.1915, 9.0], [209.1909, 14.0], [210.9464, 9.0], [211.2015, 9.0], [215.1688, 9.0], [217.1941, 14.0], [219.2109, 14.0], [221.0988, 9.0], [229.1593, 9.0], [233.2086, 9.0], [236.2335, 9.0], [240.2372, 9.0], [245.2295, 91.0], [247.2473, 37.0], [248.2422, 9.0], [249.2526, 9.0], [250.2547, 1038.0], [250.3977, 9.0], [250.9389, 9.0], [251.2536, 91.0], [251.412, 14.0], [252.2682, 352.0], [253.2681, 23.0], [254.2635, 9.0], [255.257, 9.0], [261.389, 46.0], [261.4812, 14.0], [261.5472, 9.0], [261.7783, 9.0], [261.9087, 18.0], [262.0343, 18.0], [262.2527, 10000.0], [262.4492, 37.0], [262.5366, 27.0], [262.7285, 9.0], [262.8112, 27.0], [262.8835, 18.0], [263.0097, 9.0], [263.1586, 18.0], [263.2563, 678.0], [263.3948, 46.0], [263.4946, 9.0], [263.5726, 9.0], [263.7052, 14.0], [263.7781, 9.0], [263.9306, 9.0], [264.0056, 18.0], [264.1058, 18.0], [264.2689, 5776.0], [264.5166, 46.0], [264.6882, 32.0], [264.7916, 9.0], [264.9162, 23.0], [265.0241, 9.0], [265.1321, 9.0], [265.2723, 503.0], [265.4047, 9.0], [265.5061, 9.0], [265.847, 18.0], [266.2827, 50.0], [266.6046, 9.0], [266.8962, 9.0], [267.3031, 9.0], [267.9475, 9.0], [269.2435, 9.0], [270.1903, 9.0], [277.2382, 9.0], [279.3234, 9.0], [280.2646, 1323.0], [280.4244, 9.0], [280.5269, 9.0], [280.7491, 9.0], [281.0912, 9.0], [281.2702, 59.0], [281.3564, 9.0], [282.28, 659.0], [282.9933, 9.0], [283.2787, 27.0], [283.414, 9.0], [297.2615, 9.0], [306.2836, 14.0], [310.3058, 14.0], [329.3216, 14.0], [331.342, 23.0], [332.3245, 9.0], [345.3402, 14.0], [347.3288, 55.0], [349.3449, 110.0], [350.3453, 14.0], [354.3003, 9.0], [359.331, 18.0], [361.2853, 9.0], [364.3639, 27.0], [366.3732, 137.0], [367.3696, 14.0], [376.3586, 18.0], [378.3711, 37.0], [379.3906, 9.0], [385.278, 37.0], [388.3502, 9.0], [389.3549, 9.0], [390.3677, 18.0], [402.3703, 9.0], [406.365, 18.0], [408.3925, 32.0], [409.2932, 9.0], [417.3733, 9.0], [418.4162, 9.0], [424.3019, 14.0], [426.316, 9.0], [429.3401, 9.0], [442.3161, 113.0], [443.3157, 9.0], [444.3364, 64.0], [453.4336, 9.0], [457.364, 9.0], [473.3217, 9.0], [483.2296, 9.0], [495.2477, 14.0], [529.5544, 9.0], [530.5411, 9.0], [565.5074, 9.0], [580.5842, 14.0], [581.6234, 14.0], [593.566, 32.0], [594.5773, 9.0], [597.467, 9.0], [597.7164, 9.0], [598.5949, 759.0], [598.7334, 9.0], [599.6014, 137.0], [608.4664, 18.0], [608.5998, 27.0], [609.5618, 9.0], [609.7633, 9.0], [610.2674, 9.0], [610.5944, 1923.0], [610.9355, 9.0], [611.0844, 9.0], [611.2887, 23.0], [611.5974, 403.0], [611.9069, 9.0], [612.1016, 9.0], [612.4371, 9.0], [612.6107, 573.0], [612.8665, 9.0], [612.9591, 14.0], [613.3567, 9.0], [613.6175, 137.0], [614.7245, 9.0], [615.142, 9.0], [626.5117, 9.0], [627.3241, 9.0], [627.503, 14.0], [628.0271, 9.0], [628.6047, 3493.0], [628.8182, 9.0], [628.9457, 27.0], [629.099, 18.0], [629.1975, 9.0], [629.3319, 9.0], [629.4386, 9.0], [629.6061, 726.0], [629.8056, 9.0], [632.0867, 9.0], [772.6525, 18.0], [773.6171, 9.0], [789.3483, 9.0], [789.93, 9.0], [790.6606, 1748.0], [790.9976, 9.0], [791.4138, 9.0], [791.6674, 421.0], [792.0167, 9.0], [792.1029, 9.0], [792.6055, 9.0], [807.643, 14.0], [808.5857, 14.0], [809.6132, 9.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 36:0;O2 | HexCer 18:0;O2/18:0 # [M+H]+  @RT 11.7 min (LMPTD00000312)", "MOLECULEMASS": "730.1862", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "90", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "729.1789", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "730.186200", "SPLASH": "splash10-0udi-0010090000-e7bfcb4e0550125b62dc"}, "peaks": [[109.1012, 10.0], [111.119, 10.0], [151.1491, 10.0], [184.0754, 41.0], [200.2577, 7.0], [249.2584, 10.0], [254.2824, 21.0], [264.2694, 35.0], [265.2766, 28.0], [265.4288, 7.0], [266.2823, 290.0], [267.2833, 28.0], [283.3646, 7.0], [284.122, 7.0], [284.2946, 1469.0], [284.524, 7.0], [284.608, 7.0], [285.3015, 55.0], [302.3053, 609.0], [302.5419, 10.0], [302.6839, 7.0], [303.3134, 31.0], [326.3083, 7.0], [344.3321, 7.0], [454.069, 7.0], [530.7741, 7.0], [532.5462, 297.0], [532.7809, 10.0], [533.5503, 41.0], [548.0923, 7.0], [548.7303, 21.0], [549.4189, 7.0], [549.5624, 14.0], [549.7029, 14.0], [549.9292, 7.0], [550.0828, 7.0], [550.1606, 7.0], [550.3487, 21.0], [550.556, 10000.0], [550.7522, 17.0], [550.8789, 35.0], [551.0116, 14.0], [551.1962, 14.0], [551.3819, 17.0], [551.5571, 1323.0], [551.7961, 7.0], [551.9283, 7.0], [552.059, 14.0], [552.1488, 7.0], [552.3071, 14.0], [552.5086, 7.0], [552.6333, 7.0], [553.1083, 7.0], [553.424, 14.0], [555.7271, 7.0], [566.6892, 24.0], [567.6248, 7.0], [567.9165, 7.0], [568.0381, 7.0], [568.2205, 7.0], [568.5682, 2763.0], [568.8093, 7.0], [568.9991, 14.0], [569.2304, 7.0], [569.3834, 7.0], [569.5708, 380.0], [569.7904, 7.0], [570.1315, 10.0], [570.3508, 7.0], [671.4606, 7.0], [712.6046, 59.0], [713.6082, 10.0], [730.3929, 7.0], [730.5584, 10.0], [730.7101, 7.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 38:1;O3 | HexCer 16:1;O2/22:0;O # [M+H]+  @RT 13.3 min (LMPTD00000298)", "MOLECULEMASS": "772.1862", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "91", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "771.1789", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "772.186200", "SPLASH": "splash10-00dr-0060090000-0c43b28d89de5546bc18"}, "peaks": [[111.0732, 67.0], [121.0991, 233.0], [135.1198, 133.0], [138.1357, 67.0], [149.1274, 67.0], [163.1489, 67.0], [183.1704, 100.0], [184.0755, 67.0], [207.0388, 67.0], [208.2015, 200.0], [208.6464, 67.0], [210.2146, 100.0], [219.212, 266.0], [221.083, 266.0], [222.2268, 166.0], [224.2383, 1332.0], [225.2377, 133.0], [236.2375, 10000.0], [236.4824, 67.0], [236.6158, 67.0], [237.241, 699.0], [238.2541, 100.0], [254.248, 965.0], [255.2452, 200.0], [261.2147, 67.0], [264.2662, 67.0], [281.0518, 133.0], [295.1072, 166.0], [308.2746, 67.0], [338.3349, 133.0], [356.3529, 999.0], [357.3565, 200.0], [380.3506, 100.0], [398.2167, 100.0], [398.3593, 67.0], [416.3009, 133.0], [529.5119, 67.0], [544.5325, 133.0], [562.5548, 1531.0], [563.5584, 399.0], [564.2019, 67.0], [573.6336, 67.0], [574.5535, 9248.0], [575.1123, 166.0], [575.5588, 1598.0], [575.8344, 67.0], [576.5719, 1730.0], [577.5642, 200.0], [592.4185, 67.0], [592.5646, 3296.0], [593.5683, 866.0], [630.5575, 67.0], [631.5517, 266.0], [687.4183, 67.0], [754.6169, 1332.0], [755.6301, 233.0], [772.5082, 67.0], [772.6499, 300.0], [773.6761, 67.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 44:3;O3 | HexCer 18:1;O2/26:2;O # [M+H]+  | HexCer 44:3;O3 | HexCer 18:2;O2/26:1;O # [M+H]+  @RT 17.9 min (LMPTD00000330)", "MOLECULEMASS": "852.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "92", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "851.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "852.186300", "SPLASH": "splash10-0ik9-0090006020-2cb0f5d4b4a429f5a3b6"}, "peaks": [[107.0825, 101.0], [109.1034, 327.0], [111.1173, 151.0], [113.1313, 50.0], [115.0386, 50.0], [121.0995, 75.0], [122.1043, 50.0], [123.1174, 176.0], [127.0468, 50.0], [127.1067, 50.0], [133.0989, 101.0], [135.1172, 151.0], [137.1243, 75.0], [147.1174, 101.0], [149.1337, 101.0], [151.1466, 75.0], [153.1667, 50.0], [161.1222, 50.0], [162.147, 50.0], [163.1405, 101.0], [166.1275, 50.0], [169.1794, 50.0], [175.1408, 50.0], [187.1588, 50.0], [189.1622, 101.0], [194.1893, 50.0], [210.1896, 50.0], [212.184, 50.0], [241.15, 50.0], [245.2296, 151.0], [247.2433, 250.0], [249.252, 50.0], [250.2547, 1407.0], [251.252, 200.0], [252.2694, 1256.0], [253.2794, 101.0], [262.2535, 10000.0], [262.478, 101.0], [262.5938, 50.0], [263.0735, 50.0], [263.255, 803.0], [264.0425, 75.0], [264.2676, 8704.0], [264.673, 50.0], [264.8418, 50.0], [265.2694, 853.0], [265.778, 101.0], [266.2849, 352.0], [270.8843, 50.0], [273.2546, 101.0], [278.3069, 50.0], [279.3207, 50.0], [280.263, 1080.0], [280.3619, 50.0], [281.2681, 101.0], [282.2787, 980.0], [283.2788, 50.0], [290.2822, 653.0], [291.2829, 151.0], [298.2886, 50.0], [306.2627, 50.0], [308.2121, 50.0], [308.2952, 101.0], [312.2919, 50.0], [326.2939, 50.0], [352.3114, 50.0], [365.387, 50.0], [373.3323, 50.0], [374.3648, 75.0], [375.3583, 50.0], [390.3716, 50.0], [392.3865, 151.0], [394.4025, 50.0], [406.3623, 101.0], [408.3702, 50.0], [410.3965, 276.0], [411.3966, 50.0], [420.3838, 101.0], [422.402, 75.0], [423.4102, 75.0], [424.3598, 50.0], [432.3849, 50.0], [450.402, 151.0], [452.4073, 126.0], [460.4231, 50.0], [468.5661, 50.0], [472.4235, 50.0], [476.4733, 50.0], [486.3013, 50.0], [516.4915, 75.0], [551.3581, 50.0], [551.4922, 50.0], [553.5234, 50.0], [579.5257, 75.0], [580.5456, 50.0], [590.5329, 75.0], [593.5868, 50.0], [609.6217, 50.0], [614.6022, 75.0], [617.6161, 50.0], [624.6036, 101.0], [626.6206, 250.0], [627.6383, 101.0], [628.5981, 101.0], [640.4298, 50.0], [642.618, 2060.0], [642.7947, 101.0], [643.6245, 401.0], [652.6629, 50.0], [654.0843, 50.0], [654.6177, 8281.0], [654.9197, 50.0], [655.0894, 50.0], [655.3375, 50.0], [655.6197, 2663.0], [656.4874, 50.0], [656.6353, 1307.0], [656.8273, 50.0], [657.6366, 503.0], [669.532, 50.0], [672.6284, 2663.0], [673.1673, 50.0], [673.6322, 678.0], [834.6848, 653.0], [835.6939, 101.0], [850.2399, 50.0], [851.666, 1859.0], [852.6742, 4161.0], [853.0091, 50.0], [853.1581, 50.0], [853.6707, 302.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 44:3;O3 | HexCer 18:2;O2/26:1;O # [M+H]+  @RT 17.9 min (LMPTD00000348)", "MOLECULEMASS": "852.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "93", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "851.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "852.186300", "SPLASH": "splash10-0w29-0090006020-fdc896d48cac70e068f7"}, "peaks": [[101.0744, 56.0], [105.0804, 56.0], [109.1063, 141.0], [111.1173, 112.0], [121.1025, 282.0], [123.1204, 112.0], [127.0441, 56.0], [135.1199, 225.0], [147.119, 56.0], [149.1382, 169.0], [175.1501, 56.0], [190.1124, 56.0], [191.1791, 56.0], [203.193, 56.0], [209.1959, 85.0], [233.2229, 85.0], [245.2353, 141.0], [246.2315, 56.0], [247.2425, 112.0], [250.2572, 2147.0], [251.2478, 225.0], [252.2688, 537.0], [261.9697, 56.0], [262.2548, 10000.0], [262.7796, 56.0], [263.2575, 791.0], [263.4416, 56.0], [264.2707, 2740.0], [264.6769, 56.0], [265.2771, 282.0], [280.2663, 1158.0], [281.2687, 85.0], [282.2797, 282.0], [283.2852, 112.0], [290.2859, 1243.0], [291.2878, 112.0], [292.3047, 56.0], [293.2912, 56.0], [296.2519, 85.0], [308.3016, 141.0], [329.3093, 56.0], [347.363, 112.0], [359.3795, 56.0], [365.362, 85.0], [390.3903, 56.0], [392.3888, 254.0], [393.4, 85.0], [394.3779, 56.0], [395.4062, 56.0], [406.4077, 56.0], [410.4, 424.0], [422.4089, 112.0], [442.3277, 112.0], [444.3204, 56.0], [452.4226, 56.0], [551.5003, 112.0], [579.5337, 141.0], [614.6193, 56.0], [626.6194, 282.0], [628.6111, 56.0], [636.6106, 85.0], [642.3724, 56.0], [642.6195, 2119.0], [643.1226, 56.0], [643.6201, 678.0], [654.6178, 7079.0], [654.9842, 56.0], [655.6172, 1243.0], [655.9168, 56.0], [656.1128, 85.0], [656.6375, 1073.0], [657.6427, 339.0], [672.6288, 2316.0], [673.1055, 56.0], [673.6362, 339.0], [784.5608, 56.0], [790.5455, 56.0], [823.2236, 56.0], [834.6778, 565.0], [835.6924, 169.0], [851.6631, 1469.0], [852.6629, 2090.0], [852.8346, 56.0], [853.7039, 282.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 40:2;O2 | HexCer 18:1;O2/22:1 # [M+H]+  @RT 14.0 min (LMPTD00000354)", "MOLECULEMASS": "782.1862", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "94", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "781.1789", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "782.186200", "SPLASH": "splash10-03di-0090012100-ad46a0dfa5a555cba94d"}, "peaks": [[109.1015, 74.0], [135.1091, 37.0], [149.1276, 37.0], [164.0078, 37.0], [211.1973, 37.0], [224.2297, 56.0], [236.2378, 501.0], [237.2418, 56.0], [247.2465, 111.0], [250.2455, 74.0], [252.2683, 686.0], [254.2517, 74.0], [263.4097, 56.0], [264.2685, 10000.0], [264.4665, 37.0], [264.7237, 37.0], [264.8981, 56.0], [265.2698, 556.0], [265.4915, 37.0], [265.6127, 37.0], [265.6958, 37.0], [265.8788, 37.0], [266.0119, 56.0], [266.2866, 111.0], [266.4531, 56.0], [282.2783, 1076.0], [283.2897, 130.0], [338.3369, 185.0], [366.3646, 37.0], [412.264, 37.0], [444.3291, 130.0], [459.2482, 111.0], [502.2856, 130.0], [523.4865, 37.0], [537.4814, 37.0], [562.0507, 37.0], [572.5824, 556.0], [573.5823, 130.0], [584.5774, 1039.0], [584.8472, 37.0], [585.5829, 167.0], [586.5924, 445.0], [587.5796, 37.0], [587.7998, 37.0], [588.0224, 37.0], [602.5884, 3672.0], [603.1876, 37.0], [603.4257, 56.0], [603.5956, 408.0], [641.5576, 56.0], [707.4987, 56.0], [746.689, 37.0], [764.6465, 1372.0], [765.64, 185.0], [782.5481, 111.0], [782.6623, 37.0], [782.7765, 37.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 40:2;O3 | HexCer 18:1;O2/22:1;O # [M+H]+  @RT 13.1 min (LMPTD00000341)", "MOLECULEMASS": "798.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "95", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "797.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "798.186300", "SPLASH": "splash10-0w29-0090017000-cddbd57783837c5d8714"}, "peaks": [[107.0849, 63.0], [109.0982, 125.0], [111.1165, 94.0], [123.1101, 63.0], [135.1146, 94.0], [139.1695, 63.0], [145.0996, 125.0], [175.1309, 63.0], [191.1874, 63.0], [198.2135, 63.0], [211.2126, 63.0], [236.2406, 313.0], [247.236, 157.0], [250.2551, 63.0], [252.2685, 1817.0], [253.2675, 125.0], [254.2504, 125.0], [263.4144, 125.0], [264.2686, 10000.0], [264.5002, 188.0], [264.8281, 94.0], [264.99, 94.0], [265.0814, 63.0], [265.27, 627.0], [265.4636, 63.0], [265.7297, 63.0], [266.2801, 250.0], [282.2802, 1128.0], [283.2893, 94.0], [311.9514, 94.0], [319.3022, 63.0], [336.3307, 188.0], [354.3351, 501.0], [366.3264, 63.0], [378.3463, 94.0], [396.3488, 125.0], [525.4155, 63.0], [572.5723, 157.0], [588.5734, 2193.0], [589.5795, 250.0], [600.5726, 6717.0], [601.5756, 1002.0], [601.8865, 63.0], [602.5877, 1128.0], [603.5914, 188.0], [604.9445, 63.0], [618.5836, 2381.0], [619.5906, 752.0], [657.5732, 94.0], [780.6419, 752.0], [781.646, 219.0], [798.5269, 63.0], [798.6667, 219.0], [799.5392, 94.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 45:2;O2 | HexCer 18:1;O2/27:1 # [M+H]+  @RT 27.1 min (LMPTD00000337)", "MOLECULEMASS": "852.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "96", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "851.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "852.186300", "SPLASH": "splash10-03di-0090003010-3ab897e02a192cb7c176"}, "peaks": [[107.0839, 31.0], [109.1023, 47.0], [110.1022, 16.0], [111.1109, 16.0], [121.1028, 94.0], [131.0806, 16.0], [135.1176, 62.0], [149.1307, 39.0], [157.1192, 16.0], [166.1603, 16.0], [178.1067, 16.0], [182.1671, 16.0], [211.13, 16.0], [211.2022, 39.0], [211.5527, 16.0], [212.2137, 23.0], [226.2396, 16.0], [235.2366, 16.0], [247.2383, 125.0], [252.2675, 827.0], [253.2717, 78.0], [254.2692, 16.0], [263.2223, 16.0], [263.3912, 23.0], [263.7192, 23.0], [263.7938, 31.0], [264.1428, 23.0], [264.2686, 10000.0], [264.4618, 31.0], [264.5586, 62.0], [264.6978, 23.0], [264.7863, 16.0], [264.859, 16.0], [264.9896, 16.0], [265.1296, 16.0], [265.1836, 16.0], [265.2737, 968.0], [265.4354, 16.0], [266.0358, 16.0], [266.2795, 117.0], [267.3189, 16.0], [269.2409, 16.0], [278.283, 695.0], [279.2853, 70.0], [280.2951, 47.0], [281.3279, 39.0], [282.2797, 1330.0], [283.2879, 125.0], [292.298, 422.0], [293.3046, 31.0], [294.0127, 16.0], [294.2227, 16.0], [296.3004, 47.0], [310.3133, 62.0], [324.297, 16.0], [391.3889, 125.0], [392.4014, 31.0], [408.426, 94.0], [420.4231, 31.0], [426.3227, 16.0], [444.3291, 109.0], [445.338, 16.0], [450.4511, 31.0], [451.4372, 16.0], [521.4425, 16.0], [533.4808, 16.0], [550.4836, 16.0], [551.5016, 47.0], [552.5085, 39.0], [553.5043, 62.0], [563.4994, 23.0], [565.5116, 31.0], [573.4741, 23.0], [575.5407, 16.0], [577.5253, 47.0], [578.5211, 70.0], [579.523, 133.0], [580.5084, 23.0], [642.6513, 640.0], [643.6571, 101.0], [654.4625, 16.0], [654.6508, 1127.0], [655.6577, 281.0], [656.0689, 16.0], [656.6696, 500.0], [657.0755, 23.0], [657.6759, 86.0], [672.662, 2956.0], [673.0055, 16.0], [673.4317, 16.0], [673.6648, 531.0], [673.8316, 16.0], [673.9349, 16.0], [675.4324, 16.0], [690.6594, 16.0], [816.7178, 16.0], [834.7184, 859.0], [835.7177, 250.0], [836.5049, 16.0], [849.8825, 16.0], [850.9239, 16.0], [851.6731, 109.0], [852.6849, 1398.0], [853.426, 47.0], [853.6922, 344.0], [854.2012, 23.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 42:3;O2 | HexCer 18:2;O2/24:1 # [M+H]+  @RT 14.1 min (LMPTD00000297)", "MOLECULEMASS": "808.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "97", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "807.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "808.186300", "SPLASH": "splash10-03di-0090002000-5fe225b668ce0969dfa9"}, "peaks": [[109.1011, 83.0], [121.0997, 62.0], [135.1186, 41.0], [177.1621, 41.0], [191.1761, 41.0], [236.2341, 124.0], [245.2301, 83.0], [250.2532, 1076.0], [251.2559, 41.0], [252.2691, 269.0], [254.2705, 41.0], [261.3846, 83.0], [261.8592, 41.0], [262.2523, 10000.0], [262.5344, 41.0], [262.7852, 41.0], [263.2552, 579.0], [263.4177, 41.0], [263.9775, 41.0], [264.2681, 3422.0], [264.4668, 41.0], [264.5166, 41.0], [265.2689, 290.0], [266.2719, 41.0], [280.263, 1469.0], [281.2633, 166.0], [282.2778, 434.0], [283.2925, 41.0], [347.3171, 62.0], [349.3472, 62.0], [366.3693, 83.0], [378.3715, 41.0], [442.3163, 41.0], [444.3375, 83.0], [535.4614, 41.0], [549.5067, 41.0], [593.5539, 41.0], [598.5913, 579.0], [599.5976, 103.0], [610.5903, 1531.0], [611.5918, 331.0], [612.6083, 538.0], [613.6249, 83.0], [626.8346, 41.0], [627.5885, 41.0], [628.602, 3005.0], [629.6143, 538.0], [790.658, 1014.0], [791.661, 206.0], [793.6634, 41.0], [807.6375, 41.0], [808.6528, 83.0], [809.6541, 41.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 43:2;O2 | HexCer 18:1;O2/25:1 # [M+H]+  | HexCer 43:2;O2 | HexCer 19:1;O2/24:1 # [M+H]+  @RT 21.9 min (LMPTD00000296)", "MOLECULEMASS": "824.1863", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "99", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "823.179", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "824.186300", "SPLASH": "splash10-03dl-0090006010-da66714348628b18be1c"}, "peaks": [[100.0733, 3.0], [101.0329, 3.0], [101.097, 1.0], [105.0677, 4.0], [107.0867, 45.0], [108.0909, 2.0], [109.0251, 3.0], [109.101, 67.0], [109.6421, 1.0], [110.0985, 4.0], [110.7561, 1.0], [111.1169, 34.0], [112.1218, 1.0], [113.1322, 3.0], [114.0436, 1.0], [114.0929, 6.0], [115.0387, 4.0], [117.0706, 3.0], [119.051, 1.0], [119.0844, 3.0], [120.7007, 1.0], [121.1, 100.0], [121.2768, 1.0], [122.1035, 4.0], [123.1165, 38.0], [124.1169, 1.0], [125.1305, 15.0], [127.0392, 17.0], [127.1065, 1.0], [128.1044, 5.0], [129.073, 2.0], [133.0767, 4.0], [134.2123, 1.0], [135.1165, 108.0], [135.8367, 1.0], [136.1196, 5.0], [137.0643, 2.0], [137.1335, 15.0], [139.1502, 8.0], [140.0973, 1.0], [141.1231, 3.0], [142.1224, 5.0], [143.0658, 3.0], [145.05, 15.0], [145.105, 4.0], [147.1155, 1.0], [149.0637, 1.0], [149.1336, 36.0], [150.1403, 1.0], [151.0649, 1.0], [151.1489, 15.0], [152.0887, 1.0], [152.1497, 3.0], [153.1349, 4.0], [154.0454, 2.0], [155.1365, 2.0], [155.3908, 3.0], [156.1529, 4.0], [159.1206, 1.0], [159.9003, 1.0], [160.0745, 1.0], [161.0895, 2.0], [162.0818, 1.0], [163.0575, 3.0], [163.1515, 22.0], [163.9382, 1.0], [165.1656, 32.0], [166.1667, 2.0], [167.1629, 3.0], [168.1257, 1.0], [169.1792, 1.0], [170.176, 5.0], [173.1036, 1.0], [174.085, 1.0], [177.1613, 14.0], [179.1779, 11.0], [180.1823, 1.0], [181.1607, 3.0], [181.2522, 1.0], [182.2427, 1.0], [183.0839, 2.0], [183.1819, 3.0], [184.1793, 4.0], [185.0774, 1.0], [185.1538, 1.0], [187.2283, 1.0], [189.167, 1.0], [191.0523, 2.0], [191.1797, 12.0], [191.6663, 1.0], [193.1028, 1.0], [193.1939, 15.0], [193.8124, 1.0], [194.1322, 1.0], [194.2046, 1.0], [194.7796, 1.0], [195.1785, 4.0], [195.9389, 1.0], [196.049, 1.0], [196.198, 3.0], [196.5494, 1.0], [196.8029, 1.0], [196.9502, 2.0], [197.0862, 1.0], [197.1865, 4.0], [197.8749, 1.0], [197.9682, 1.0], [198.1118, 1.0], [198.2185, 14.0], [198.5788, 1.0], [198.7586, 2.0], [198.8809, 1.0], [198.9456, 1.0], [199.0248, 1.0], [199.1947, 1.0], [199.425, 1.0], [199.6947, 1.0], [199.738, 3.0], [201.2261, 1.0], [201.4577, 1.0], [202.2261, 2.0], [202.8505, 1.0], [203.0322, 1.0], [203.1745, 1.0], [203.3843, 5.0], [203.7307, 1.0], [204.0148, 1.0], [204.2407, 1.0], [204.3022, 1.0], [204.3647, 1.0], [204.4911, 3.0], [204.5836, 2.0], [204.6857, 2.0], [204.8902, 2.0], [204.9705, 1.0], [205.0362, 2.0], [205.1966, 13.0], [205.4675, 1.0], [205.6504, 1.0], [205.7418, 3.0], [205.8465, 1.0], [205.9285, 2.0], [205.9724, 1.0], [206.1042, 1.0], [206.2039, 4.0], [206.3973, 2.0], [206.7896, 3.0], [206.8586, 1.0], [206.9988, 1.0], [207.0281, 1.0], [207.2355, 3.0], [207.7011, 3.0], [207.9394, 1.0], [208.1454, 2.0], [208.3368, 2.0], [208.4694, 2.0], [208.6462, 1.0], [208.9116, 2.0], [208.9979, 2.0], [209.1182, 1.0], [209.1993, 3.0], [209.3838, 1.0], [209.4905, 3.0], [209.731, 2.0], [209.9009, 1.0], [210.102, 1.0], [210.1819, 2.0], [210.4483, 1.0], [210.5773, 1.0], [210.6506, 1.0], [211.2051, 93.0], [211.4041, 1.0], [211.4931, 1.0], [211.6044, 1.0], [211.7677, 2.0], [212.0648, 1.0], [212.2083, 18.0], [212.3487, 1.0], [212.7935, 1.0], [212.9424, 1.0], [213.5086, 2.0], [213.8666, 1.0], [214.1758, 1.0], [214.5535, 2.0], [215.0869, 1.0], [217.1959, 2.0], [217.3876, 1.0], [217.8241, 1.0], [218.5325, 1.0], [219.2151, 6.0], [221.2272, 8.0], [222.1119, 1.0], [222.2255, 2.0], [223.2031, 3.0], [224.1823, 3.0], [225.2658, 1.0], [225.5339, 1.0], [226.1089, 2.0], [226.2138, 4.0], [226.3852, 1.0], [228.8637, 1.0], [229.2729, 2.0], [230.5493, 1.0], [231.2005, 2.0], [232.8324, 1.0], [233.2239, 3.0], [233.7052, 1.0], [233.8417, 2.0], [234.9436, 1.0], [235.2389, 5.0], [236.2282, 4.0], [236.6783, 2.0], [237.227, 5.0], [238.249, 5.0], [239.244, 6.0], [239.4413, 1.0], [239.6782, 1.0], [239.7572, 1.0], [240.2341, 8.0], [240.6665, 1.0], [240.7378, 1.0], [241.0466, 1.0], [241.2288, 3.0], [243.5243, 1.0], [243.811, 1.0], [245.227, 2.0], [245.3988, 1.0], [245.8226, 1.0], [245.9506, 1.0], [246.4263, 1.0], [247.048, 1.0], [247.2427, 290.0], [248.2433, 18.0], [248.7912, 1.0], [248.8394, 1.0], [249.2534, 7.0], [249.4273, 1.0], [250.2521, 27.0], [250.3594, 1.0], [250.7666, 1.0], [251.1142, 2.0], [251.2448, 6.0], [251.3568, 1.0], [251.4382, 8.0], [251.7816, 3.0], [251.8423, 2.0], [251.9192, 1.0], [251.9719, 2.0], [252.0529, 1.0], [252.2676, 2055.0], [252.4177, 3.0], [252.5247, 8.0], [252.647, 8.0], [252.798, 6.0], [252.9446, 3.0], [253.0536, 3.0], [253.2712, 169.0], [253.4886, 1.0], [253.6023, 3.0], [253.699, 1.0], [254.0277, 1.0], [254.1022, 1.0], [254.2456, 11.0], [254.3584, 2.0], [254.5103, 3.0], [254.8306, 1.0], [255.7664, 1.0], [255.9231, 2.0], [256.0619, 1.0], [256.2987, 3.0], [256.5519, 1.0], [256.8626, 1.0], [257.3288, 3.0], [257.599, 3.0], [259.2409, 1.0], [261.2521, 4.0], [261.7012, 1.0], [261.9158, 2.0], [261.9902, 1.0], [262.2531, 5.0], [262.3768, 4.0], [262.5217, 3.0], [262.5966, 1.0], [262.7401, 3.0], [262.8201, 2.0], [262.9424, 3.0], [263.0301, 1.0], [263.1538, 3.0], [263.2741, 13.0], [263.3985, 113.0], [263.628, 19.0], [263.7784, 11.0], [264.0285, 88.0], [264.267, 10000.0], [264.5117, 12.0], [264.7756, 41.0], [264.9063, 41.0], [265.0324, 51.0], [265.2717, 2732.0], [265.4148, 28.0], [265.5783, 27.0], [265.7491, 50.0], [265.9963, 19.0], [266.1163, 9.0], [266.2822, 229.0], [266.3903, 6.0], [266.5047, 8.0], [266.6482, 15.0], [266.7578, 4.0], [266.8457, 6.0], [266.9517, 4.0], [267.0531, 6.0], [267.1707, 5.0], [267.2879, 20.0], [267.4186, 3.0], [267.4687, 4.0], [267.5253, 3.0], [267.6174, 5.0], [267.7435, 4.0], [267.9452, 5.0], [268.1283, 3.0], [268.2614, 9.0], [268.389, 3.0], [268.5611, 3.0], [268.7301, 3.0], [268.8472, 1.0], [268.9184, 3.0], [269.0983, 2.0], [269.2617, 3.0], [269.4499, 2.0], [269.5336, 1.0], [269.6272, 1.0], [269.7321, 3.0], [269.8017, 2.0], [270.1337, 6.0], [270.2461, 3.0], [270.397, 2.0], [270.5498, 3.0], [270.6572, 3.0], [270.815, 2.0], [270.8956, 1.0], [271.1526, 1.0], [271.2402, 1.0], [271.4299, 2.0], [271.8924, 2.0], [272.3216, 1.0], [272.3974, 1.0], [272.5995, 1.0], [272.8944, 1.0], [273.0057, 1.0], [273.2401, 3.0], [273.5185, 1.0], [273.7041, 1.0], [273.9489, 1.0], [274.0925, 2.0], [274.7735, 1.0], [275.1917, 1.0], [275.2725, 3.0], [275.7404, 1.0], [276.1319, 1.0], [276.276, 3.0], [276.4711, 1.0], [277.2497, 6.0], [277.3965, 1.0], [277.473, 1.0], [278.2837, 302.0], [278.6677, 1.0], [278.7322, 1.0], [279.2842, 23.0], [279.4157, 1.0], [279.5676, 2.0], [280.2715, 8.0], [280.4982, 2.0], [280.9256, 2.0], [281.1342, 1.0], [281.3522, 10.0], [281.6052, 1.0], [281.7877, 6.0], [281.9873, 6.0], [282.2789, 3536.0], [282.5245, 14.0], [282.706, 4.0], [282.8296, 11.0], [282.9623, 6.0], [283.1017, 3.0], [283.2827, 309.0], [283.5798, 1.0], [283.6492, 3.0], [283.7115, 1.0], [283.829, 3.0], [283.9711, 5.0], [284.2457, 3.0], [284.3822, 1.0], [284.4597, 2.0], [284.6318, 2.0], [284.8212, 1.0], [284.8958, 1.0], [285.0916, 3.0], [285.3217, 4.0], [285.6242, 1.0], [285.7794, 1.0], [286.1832, 1.0], [286.2868, 1.0], [286.6668, 3.0], [286.8482, 1.0], [286.9173, 1.0], [286.9951, 1.0], [287.2398, 2.0], [287.9293, 2.0], [288.2627, 1.0], [289.2621, 13.0], [289.3731, 1.0], [289.5331, 1.0], [289.7154, 2.0], [289.9152, 2.0], [291.2767, 3.0], [292.295, 8.0], [293.2852, 3.0], [293.4615, 3.0], [294.2778, 5.0], [294.3362, 1.0], [294.7126, 2.0], [295.2384, 1.0], [295.5453, 2.0], [296.0542, 1.0], [296.2951, 39.0], [297.3021, 1.0], [299.2229, 2.0], [300.2966, 3.0], [300.787, 1.0], [301.2519, 3.0], [303.3029, 3.0], [304.2744, 1.0], [305.2786, 4.0], [306.2824, 5.0], [306.8142, 1.0], [307.2873, 6.0], [307.3882, 1.0], [309.2784, 2.0], [309.6105, 2.0], [310.3061, 5.0], [312.9319, 2.0], [313.2414, 3.0], [315.0564, 1.0], [315.2717, 6.0], [316.0987, 1.0], [318.2846, 3.0], [318.7711, 1.0], [319.2661, 5.0], [319.3315, 1.0], [320.285, 2.0], [321.0158, 1.0], [321.3104, 4.0], [322.295, 1.0], [324.3159, 10.0], [325.308, 2.0], [327.2654, 1.0], [328.4257, 1.0], [329.2954, 1.0], [330.296, 1.0], [331.2579, 5.0], [332.2514, 1.0], [333.2741, 3.0], [334.2997, 1.0], [335.2565, 3.0], [335.621, 1.0], [337.09, 1.0], [337.2773, 1.0], [338.3386, 4.0], [338.5904, 1.0], [338.9284, 1.0], [342.7714, 1.0], [343.2674, 4.0], [343.5653, 1.0], [345.3517, 40.0], [346.0569, 1.0], [346.3552, 5.0], [346.5126, 1.0], [346.8165, 2.0], [348.2908, 1.0], [349.2722, 3.0], [349.3485, 3.0], [350.2836, 2.0], [352.4947, 1.0], [355.2536, 1.0], [357.2405, 1.0], [359.3844, 1.0], [360.288, 3.0], [360.9917, 1.0], [361.2773, 8.0], [361.3505, 6.0], [362.3676, 1.0], [363.04, 1.0], [363.1372, 1.0], [363.3634, 278.0], [363.5845, 1.0], [364.3645, 21.0], [364.6749, 1.0], [365.2597, 1.0], [366.3699, 3.0], [368.2634, 1.0], [369.288, 2.0], [372.2784, 2.0], [373.2751, 5.0], [373.3679, 3.0], [374.3346, 3.0], [375.3696, 4.0], [375.6882, 2.0], [378.3549, 3.0], [378.7798, 1.0], [379.1274, 1.0], [379.2764, 4.0], [379.3865, 3.0], [379.8529, 1.0], [380.3894, 329.0], [380.6289, 1.0], [380.7683, 1.0], [380.8934, 1.0], [381.2383, 1.0], [381.3937, 37.0], [381.9439, 1.0], [382.2132, 1.0], [383.3711, 1.0], [383.8507, 1.0], [385.366, 3.0], [387.3591, 1.0], [388.3418, 2.0], [390.2891, 3.0], [390.3666, 5.0], [391.2824, 9.0], [391.3784, 3.0], [391.6263, 1.0], [392.3875, 76.0], [392.7837, 3.0], [393.3951, 9.0], [394.4135, 1.0], [395.3911, 2.0], [396.3185, 3.0], [397.3515, 1.0], [401.4053, 1.0], [402.3913, 3.0], [403.0363, 1.0], [403.4222, 3.0], [404.2766, 1.0], [404.3872, 64.0], [405.0874, 2.0], [405.3881, 8.0], [406.1765, 1.0], [406.4131, 2.0], [408.3052, 5.0], [408.4232, 1.0], [408.9884, 2.0], [409.2944, 12.0], [413.3852, 1.0], [413.6031, 1.0], [414.3226, 10.0], [414.405, 2.0], [415.4104, 2.0], [417.3885, 1.0], [418.3897, 3.0], [419.3628, 1.0], [422.3984, 127.0], [423.4059, 8.0], [423.7393, 1.0], [426.3206, 18.0], [427.3108, 8.0], [427.6762, 1.0], [428.3059, 1.0], [429.3766, 1.0], [430.392, 1.0], [432.4217, 11.0], [441.3843, 1.0], [442.8708, 1.0], [443.374, 1.0], [443.6524, 3.0], [443.9068, 1.0], [444.3297, 286.0], [444.6423, 4.0], [444.8055, 1.0], [445.3363, 24.0], [445.4409, 2.0], [445.6821, 1.0], [446.4518, 1.0], [447.3886, 3.0], [448.9948, 1.0], [449.6329, 1.0], [453.4273, 1.0], [454.4055, 3.0], [455.4066, 2.0], [457.2376, 3.0], [457.9251, 1.0], [458.3461, 3.0], [458.9082, 1.0], [460.3301, 1.0], [462.3464, 2.0], [464.3231, 1.0], [465.8855, 1.0], [466.4473, 2.0], [469.195, 1.0], [470.0795, 3.0], [471.3775, 5.0], [473.7258, 2.0], [474.4748, 1.0], [477.5422, 1.0], [479.3612, 2.0], [481.3516, 1.0], [482.2139, 1.0], [483.7163, 1.0], [487.4713, 1.0], [488.1812, 1.0], [489.3693, 3.0], [489.5574, 1.0], [490.0316, 1.0], [490.4308, 1.0], [493.4823, 1.0], [494.5028, 2.0], [496.297, 1.0], [496.7403, 1.0], [497.4684, 1.0], [501.5504, 1.0], [501.8475, 1.0], [502.4907, 3.0], [502.7623, 2.0], [503.529, 1.0], [505.0757, 1.0], [505.2133, 3.0], [506.0967, 1.0], [506.4411, 1.0], [506.7856, 1.0], [507.4003, 4.0], [508.8896, 3.0], [509.35, 3.0], [511.4793, 3.0], [511.6209, 1.0], [513.0545, 3.0], [514.4289, 3.0], [515.9343, 2.0], [516.943, 1.0], [517.825, 1.0], [518.0456, 2.0], [518.55, 1.0], [518.9982, 2.0], [520.4947, 1.0], [521.5118, 2.0], [523.3076, 1.0], [523.4725, 6.0], [524.4344, 3.0], [524.4987, 1.0], [525.4572, 4.0], [525.7262, 1.0], [528.514, 1.0], [530.6273, 1.0], [533.5105, 1.0], [537.4874, 10.0], [537.714, 1.0], [538.48, 3.0], [539.5137, 3.0], [540.8773, 1.0], [541.1384, 1.0], [542.4328, 1.0], [543.9072, 1.0], [548.4978, 1.0], [549.2986, 1.0], [549.466, 2.0], [550.4863, 3.0], [550.8901, 2.0], [551.5005, 18.0], [552.232, 1.0], [552.5018, 4.0], [553.3536, 3.0], [557.7006, 1.0], [558.6046, 1.0], [559.2921, 1.0], [559.461, 1.0], [560.2336, 1.0], [560.5597, 1.0], [561.58, 1.0], [563.4504, 1.0], [564.4923, 2.0], [565.5135, 6.0], [566.5306, 1.0], [572.5941, 2.0], [574.5736, 1.0], [575.9196, 1.0], [576.6912, 1.0], [577.6227, 1.0], [579.181, 1.0], [579.5473, 5.0], [580.5253, 1.0], [581.0857, 1.0], [582.5809, 2.0], [583.5603, 1.0], [584.226, 1.0], [585.2376, 2.0], [585.577, 2.0], [586.6031, 1.0], [587.4119, 1.0], [587.6839, 2.0], [588.3891, 1.0], [590.3684, 1.0], [592.6664, 2.0], [594.5682, 1.0], [597.595, 6.0], [598.0191, 1.0], [598.6032, 3.0], [599.0177, 2.0], [599.2674, 1.0], [600.6045, 1.0], [603.4837, 1.0], [605.0012, 2.0], [605.5463, 1.0], [607.5261, 2.0], [608.5892, 3.0], [608.8472, 1.0], [609.162, 1.0], [609.2879, 1.0], [609.5923, 14.0], [610.6053, 3.0], [611.0397, 3.0], [611.5262, 1.0], [612.049, 1.0], [612.3014, 1.0], [612.5893, 6.0], [613.4003, 2.0], [613.6259, 4.0], [613.8426, 1.0], [614.0364, 2.0], [614.1292, 3.0], [614.2454, 4.0], [614.4242, 1.0], [614.6227, 1112.0], [614.7967, 2.0], [614.9251, 5.0], [615.0968, 4.0], [615.3885, 10.0], [615.6245, 296.0], [615.8407, 4.0], [616.0661, 3.0], [616.1846, 1.0], [616.3226, 1.0], [616.505, 2.0], [617.0321, 1.0], [617.1262, 1.0], [617.5645, 1.0], [617.742, 1.0], [617.8561, 1.0], [618.3254, 2.0], [618.5453, 3.0], [620.7509, 1.0], [620.8805, 1.0], [622.1499, 3.0], [623.0028, 1.0], [623.6651, 1.0], [623.8818, 1.0], [624.3636, 1.0], [624.5357, 10.0], [624.9782, 2.0], [625.1185, 1.0], [625.3608, 3.0], [625.5535, 5.0], [625.7838, 6.0], [625.9424, 3.0], [626.0981, 7.0], [626.2936, 11.0], [626.6219, 3419.0], [626.989, 16.0], [627.2383, 22.0], [627.6236, 684.0], [628.1631, 13.0], [628.3584, 4.0], [628.6385, 1111.0], [628.9981, 8.0], [629.1996, 6.0], [629.446, 6.0], [629.6409, 175.0], [629.8777, 5.0], [630.0377, 4.0], [630.319, 1.0], [630.5373, 4.0], [630.8132, 3.0], [631.0341, 3.0], [631.205, 3.0], [631.3503, 1.0], [631.5725, 2.0], [631.6665, 1.0], [631.7794, 1.0], [631.9358, 1.0], [632.1154, 1.0], [632.3335, 1.0], [632.4412, 1.0], [632.6927, 1.0], [633.0721, 3.0], [633.3345, 1.0], [634.3493, 3.0], [634.7605, 2.0], [635.0433, 1.0], [635.5834, 1.0], [635.8278, 2.0], [635.9436, 1.0], [636.144, 1.0], [636.5613, 1.0], [637.6044, 3.0], [637.7516, 2.0], [638.0167, 2.0], [638.4678, 1.0], [638.6483, 3.0], [639.0223, 1.0], [639.8307, 3.0], [640.0286, 2.0], [640.4417, 1.0], [640.6354, 3.0], [640.8291, 1.0], [641.2554, 1.0], [641.3846, 1.0], [641.571, 1.0], [641.6818, 2.0], [642.1213, 1.0], [642.2294, 2.0], [642.4859, 18.0], [642.6155, 5.0], [642.7575, 1.0], [642.9295, 3.0], [643.2853, 1.0], [643.4832, 14.0], [643.6789, 9.0], [643.8876, 4.0], [644.0841, 4.0], [644.1891, 8.0], [644.6311, 6016.0], [644.8417, 22.0], [645.0071, 34.0], [645.1461, 8.0], [645.2928, 18.0], [645.6363, 1451.0], [645.8572, 4.0], [646.0937, 13.0], [646.2501, 6.0], [646.4697, 7.0], [646.6182, 13.0], [646.8925, 5.0], [647.0693, 3.0], [647.2106, 4.0], [647.4753, 6.0], [647.6778, 4.0], [647.8668, 3.0], [648.0257, 1.0], [648.138, 4.0], [648.3678, 4.0], [648.7575, 2.0], [648.9785, 1.0], [649.1344, 1.0], [649.2644, 1.0], [649.3728, 1.0], [649.7845, 2.0], [650.0382, 1.0], [650.1448, 4.0], [650.5, 1.0], [650.8592, 2.0], [651.0076, 1.0], [651.3331, 1.0], [652.8965, 1.0], [653.1507, 1.0], [653.6789, 2.0], [654.1746, 2.0], [655.6892, 2.0], [656.4863, 1.0], [658.0559, 1.0], [659.1164, 1.0], [662.0537, 1.0], [662.6559, 9.0], [663.6562, 1.0], [664.6554, 1.0], [683.624, 1.0], [683.9709, 1.0], [686.649, 9.0], [694.3506, 1.0], [698.6458, 1.0], [699.7655, 1.0], [710.637, 1.0], [715.1127, 1.0], [719.2662, 1.0], [721.5942, 2.0], [722.6283, 1.0], [726.1789, 1.0], [731.385, 1.0], [737.1776, 1.0], [739.5343, 1.0], [740.6864, 1.0], [749.1078, 1.0], [752.6382, 1.0], [753.6557, 2.0], [758.6817, 3.0], [765.3396, 1.0], [770.6663, 3.0], [771.1232, 1.0], [776.6822, 4.0], [777.6824, 2.0], [788.6678, 25.0], [789.6673, 5.0], [799.7327, 1.0], [801.8839, 1.0], [803.5462, 2.0], [803.9981, 6.0], [804.1681, 1.0], [804.4865, 1.0], [805.0003, 6.0], [805.2291, 3.0], [805.4418, 2.0], [805.5682, 3.0], [805.6793, 2.0], [805.9752, 4.0], [806.1805, 4.0], [806.6844, 2862.0], [806.8769, 17.0], [807.1173, 26.0], [807.6871, 1044.0], [807.8554, 13.0], [808.0818, 6.0], [808.2532, 3.0], [808.5157, 4.0], [808.6893, 5.0], [808.8371, 2.0], [809.0608, 3.0], [809.1963, 3.0], [809.3734, 3.0], [809.5108, 1.0], [809.6302, 2.0], [809.7527, 3.0], [809.8959, 1.0], [810.1192, 1.0], [810.4304, 2.0], [810.5814, 2.0], [810.9969, 1.0], [811.2148, 1.0], [811.3166, 1.0], [811.8834, 1.0], [812.6478, 1.0], [816.9064, 1.0], [818.1609, 1.0], [824.6556, 15.0], [825.6741, 3.0], [829.2746, 1.0], [848.6836, 1.0], [917.619, 1.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "HexCer 38:1;O2 | HexCer 18:1;O2/20:0 # [M+H]+  @RT 14.5 min (LMPTD00000307)", "MOLECULEMASS": "756.1862", "INSTRUMENT": "qTof", "IONSOURCE": "ESI", "EXTRACTSCAN": "100", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "755.1789", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+H]+", "LIBQUALITY": "4", "PI": "Yu Xia Lab, Tsinghua University", "MSLEVEL": "2", "PEPMASS": "756.186200", "SPLASH": "splash10-03di-0090050100-70a72d0e445b745a3fad"}, "peaks": [[115.0715, 28.0], [127.0379, 28.0], [164.0043, 43.0], [211.2017, 57.0], [247.2476, 57.0], [252.269, 695.0], [263.4059, 43.0], [264.077, 28.0], [264.269, 10000.0], [264.4901, 28.0], [264.6245, 28.0], [264.7905, 28.0], [264.9317, 43.0], [265.1559, 28.0], [265.2684, 840.0], [265.4218, 57.0], [265.8459, 43.0], [266.1288, 28.0], [266.2858, 87.0], [282.2797, 1144.0], [282.3745, 28.0], [283.2891, 43.0], [292.3083, 57.0], [300.2761, 28.0], [312.336, 145.0], [313.3241, 28.0], [339.292, 28.0], [354.337, 28.0], [386.2407, 28.0], [433.2352, 115.0], [444.3259, 87.0], [459.251, 57.0], [476.2714, 57.0], [502.294, 145.0], [546.5638, 434.0], [547.583, 43.0], [558.5591, 1854.0], [559.564, 159.0], [560.5768, 391.0], [560.9997, 28.0], [561.5783, 145.0], [576.5726, 4528.0], [576.8312, 28.0], [576.9292, 28.0], [577.1498, 43.0], [577.5759, 608.0], [724.5328, 43.0], [725.5352, 28.0], [738.6222, 1998.0], [739.615, 261.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_22:6;OH #[M+HCOO]- |[iso-2] (LMPTD00000426)", "MOLECULEMASS": "866.5555", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "343", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "821.5573", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "866.555500", "SPLASH": "splash10-0a4i-8194000050-2cf45f8d9f19f0f29143"}, "peaks": [[62.5865, 679.0], [71.0728, 637.0], [71.4105, 655.0], [71.415, 2704.0], [71.4186, 3135.0], [71.4221, 1169.0], [71.427, 780.0], [72.9966, 608.0], [73.1538, 749.0], [85.8061, 698.0], [89.5586, 687.0], [97.534, 3042.0], [101.4086, 665.0], [104.0818, 787.0], [136.1158, 641.0], [179.7926, 730.0], [224.0712, 993.0], [226.8576, 686.0], [233.1553, 1639.0], [255.2328, 10000.0], [279.2324, 811.0], [281.2265, 1860.0], [325.2186, 950.0], [343.2288, 5631.0], [363.1709, 696.0], [480.3069, 903.0], [681.3895, 739.0], [806.5342, 8264.0], [891.1559, 794.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 18:2_18:2;OH #[M+HCOO]- (LMPTD00000427)", "MOLECULEMASS": "842.5559", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "345", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "797.5577", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "842.555900", "SPLASH": "splash10-00di-9231100100-10870d91fae79b55dccf"}, "peaks": [[59.8864, 1187.0], [70.291, 1281.0], [71.4224, 3750.0], [71.4285, 10000.0], [71.4325, 6387.0], [71.4377, 1155.0], [72.571, 1122.0], [88.8963, 1468.0], [97.535, 2709.0], [117.6591, 1321.0], [124.6312, 1300.0], [159.522, 1180.0], [174.9556, 2984.0], [192.3708, 1314.0], [198.1274, 1283.0], [212.8358, 1218.0], [215.0758, 1428.0], [279.2328, 4647.0], [295.228, 4953.0], [304.9146, 1770.0], [322.739, 1471.0], [370.9381, 1452.0], [412.5239, 1723.0], [434.8708, 1508.0], [462.4791, 1515.0], [493.2183, 1426.0], [579.3441, 1436.0], [594.1169, 1290.0], [695.3112, 1354.0], [760.2255, 1723.0], [782.5308, 4469.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 18:0_18:2;OH #[M+HCOO]- (LMPTD00000428)", "MOLECULEMASS": "846.5866", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "346", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "801.5884", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "846.586600", "SPLASH": "splash10-0012-1190000200-a4e54f56e45ed80aa4ea"}, "peaks": [[64.6471, 195.0], [71.3971, 529.0], [71.4007, 861.0], [71.4043, 590.0], [71.4086, 210.0], [78.9585, 375.0], [82.1989, 224.0], [87.3997, 338.0], [97.5326, 865.0], [108.0121, 206.0], [163.5575, 185.0], [168.0435, 471.0], [171.1024, 1314.0], [171.3961, 184.0], [174.9557, 227.0], [190.3255, 180.0], [195.1394, 939.0], [214.7498, 192.0], [224.0698, 415.0], [270.3742, 200.0], [277.2169, 2562.0], [283.264, 6061.0], [283.2953, 354.0], [295.2277, 10000.0], [345.719, 177.0], [370.8857, 186.0], [437.68, 184.0], [508.3404, 399.0], [552.7667, 204.0], [786.5653, 5983.0], [786.6866, 169.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_18:2;OH #[M+HCOO]- |[iso-3] (LMPTD00000430)", "MOLECULEMASS": "818.5559", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "349", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "773.5577", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "818.555900", "SPLASH": "splash10-052b-2190000200-da9d7a67c5fe1ab02559"}, "peaks": [[62.8218, 534.0], [64.2161, 495.0], [67.3894, 534.0], [68.3827, 503.0], [97.5344, 2321.0], [112.9855, 863.0], [118.6762, 612.0], [150.9793, 585.0], [173.448, 547.0], [174.9558, 877.0], [226.9273, 791.0], [251.0995, 595.0], [255.2327, 5554.0], [277.2176, 1145.0], [295.2277, 10000.0], [758.5348, 4227.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_18:2;O2 #[M+HCOO]- (LMPTD00000432)", "MOLECULEMASS": "834.5505", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "350", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "789.5523", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "834.550500", "SPLASH": "splash10-052f-1290000000-743665598d1f36afefcd"}, "peaks": [[70.5663, 362.0], [78.9585, 1408.0], [97.5305, 2001.0], [98.0423, 454.0], [110.249, 368.0], [112.9855, 537.0], [117.8837, 359.0], [124.0274, 389.0], [152.9953, 575.0], [168.0432, 978.0], [174.9566, 595.0], [185.1187, 586.0], [226.6868, 931.0], [255.2328, 7889.0], [272.6109, 413.0], [293.2122, 10000.0], [476.3076, 475.0], [480.3115, 611.0], [561.7753, 490.0], [681.0918, 498.0], [718.8119, 488.0], [756.5135, 914.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_18:2;O2 #[M+HCOO]- |[iso-3] (LMPTD00000433)", "MOLECULEMASS": "834.5516", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "352", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "789.5534", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "834.551600", "SPLASH": "splash10-052f-1190000000-5d3a1281ad7ce3ab2bff"}, "peaks": [[58.8668, 254.0], [78.9587, 1307.0], [80.0433, 290.0], [84.0352, 250.0], [95.1055, 257.0], [97.5298, 1047.0], [101.0074, 252.0], [112.9858, 413.0], [113.0973, 732.0], [125.0009, 601.0], [152.996, 480.0], [168.043, 418.0], [195.1394, 616.0], [199.8028, 257.0], [223.1343, 1070.0], [224.0697, 478.0], [226.89, 412.0], [255.2331, 8453.0], [276.4195, 229.0], [293.2126, 10000.0], [295.2311, 425.0], [307.2282, 869.0], [391.226, 343.0], [480.3124, 475.0], [668.4897, 278.0], [713.5917, 275.0], [756.5176, 1073.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 18:0_20:4;OH #[M+HCOO]- |[iso-3] (LMPTD00000434)", "MOLECULEMASS": "870.587", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "358", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "825.5888", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "870.587000", "SPLASH": "splash10-03yi-3796000060-675a1cbdb67098e9bb69"}, "peaks": [[64.4819, 478.0], [78.9584, 918.0], [97.5321, 3267.0], [99.7966, 584.0], [112.9854, 3577.0], [122.9366, 503.0], [134.7303, 462.0], [167.1074, 5253.0], [168.0435, 503.0], [174.9562, 2090.0], [176.8022, 513.0], [224.0693, 676.0], [226.7217, 777.0], [226.74, 772.0], [242.9438, 1950.0], [257.2272, 811.0], [261.5973, 560.0], [283.2639, 9414.0], [301.218, 546.0], [310.9313, 828.0], [319.2279, 7248.0], [325.6005, 604.0], [345.4123, 582.0], [378.921, 792.0], [508.3465, 1217.0], [810.5649, 10000.0], [874.9319, 604.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_20:4;OH #[M+HCOO]- |[iso-4] (LMPTD00000435)", "MOLECULEMASS": "842.5554", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "361", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "797.5572", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "842.555400", "SPLASH": "splash10-0pwa-6579000400-f2c57fd310267a4e8d4e"}, "peaks": [[60.5243, 1734.0], [64.0425, 2214.0], [92.7591, 2045.0], [94.5759, 1892.0], [97.5334, 10000.0], [106.7862, 2051.0], [115.0403, 2459.0], [117.1234, 1897.0], [132.9576, 1789.0], [174.9566, 3347.0], [186.0325, 2025.0], [190.0749, 1885.0], [209.3454, 1757.0], [226.6896, 3258.0], [255.2325, 9436.0], [257.2272, 2712.0], [264.444, 2084.0], [300.7995, 1959.0], [301.2194, 2383.0], [304.9155, 3907.0], [306.9162, 1848.0], [319.2271, 9553.0], [338.4169, 1938.0], [347.4518, 1966.0], [504.9936, 1920.0], [712.2022, 2051.0], [716.0328, 2260.0], [782.5302, 6637.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_20:4;OH #[M+HCOO]- (LMPTD00000436)", "MOLECULEMASS": "842.5558", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "366", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "797.5576", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "842.555800", "SPLASH": "splash10-0api-2496000500-441ebc668217c8ce2f0c"}, "peaks": [[78.9587, 809.0], [86.9519, 434.0], [97.53, 1727.0], [120.5034, 345.0], [137.7223, 388.0], [141.0556, 512.0], [155.0714, 824.0], [167.1074, 1773.0], [168.0434, 864.0], [174.956, 694.0], [179.1072, 797.0], [203.1805, 468.0], [206.4657, 330.0], [224.07, 657.0], [226.9929, 652.0], [253.3109, 322.0], [255.2328, 10000.0], [257.2284, 805.0], [301.2165, 1778.0], [304.9147, 670.0], [319.2282, 7211.0], [480.3106, 1224.0], [660.6144, 359.0], [782.5344, 8513.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_18:2;O2 #[M+HCOO]- |[iso-2] (LMPTD00000438)", "MOLECULEMASS": "834.5506", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "370", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "789.5524", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "834.550600", "SPLASH": "splash10-052f-1190000000-183ce518700131bbcd3f"}, "peaks": [[67.3709, 183.0], [74.4182, 181.0], [78.9585, 1291.0], [79.4134, 180.0], [80.471, 174.0], [93.6034, 231.0], [97.5294, 903.0], [98.0923, 220.0], [112.985, 225.0], [113.0973, 305.0], [122.2557, 212.0], [125.0007, 227.0], [128.0989, 211.0], [140.1906, 220.0], [145.3422, 204.0], [152.9958, 354.0], [168.0433, 565.0], [174.9553, 204.0], [185.1179, 507.0], [195.1394, 549.0], [202.8485, 199.0], [223.1339, 542.0], [224.068, 478.0], [226.7846, 488.0], [255.2328, 7288.0], [275.2012, 287.0], [293.212, 10000.0], [307.2287, 1072.0], [352.7931, 206.0], [419.2563, 260.0], [480.3102, 501.0], [575.7769, 200.0], [598.1021, 219.0], [667.7502, 206.0], [756.518, 953.0], [774.5278, 349.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_18:2;OH #[M+HCOO]- |[iso-2] (LMPTD00000439)", "MOLECULEMASS": "818.5554", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "371", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "773.5572", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "818.555400", "SPLASH": "splash10-0a4j-0190000200-8c2e137ffd044f0bf7d8"}, "peaks": [[71.4069, 100.0], [71.41, 172.0], [71.413, 185.0], [71.4161, 145.0], [77.456, 82.0], [78.9585, 471.0], [84.2798, 136.0], [84.2854, 300.0], [86.2458, 84.0], [97.5274, 159.0], [97.5348, 361.0], [101.1971, 74.0], [113.0971, 81.0], [125.0774, 83.0], [142.0705, 71.0], [157.3623, 75.0], [168.043, 569.0], [171.1026, 1562.0], [174.9562, 100.0], [195.1385, 675.0], [207.7807, 83.0], [224.0696, 416.0], [226.7345, 171.0], [255.2327, 7144.0], [277.2171, 2856.0], [295.2, 124.0], [295.2277, 10000.0], [480.3106, 370.0], [567.1116, 92.0], [630.5645, 94.0], [758.5338, 6652.0], [758.6738, 171.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_20:4;OH #[M+HCOO]- |[iso-8] (LMPTD00000441)", "MOLECULEMASS": "842.5557", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "373", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "797.5575", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "842.555700", "SPLASH": "splash10-067i-4596000400-a8657950d1c77b71530e"}, "peaks": [[61.3169, 309.0], [71.4137, 1054.0], [71.4171, 1481.0], [71.4204, 723.0], [76.1185, 320.0], [78.9584, 425.0], [86.9518, 371.0], [97.528, 634.0], [97.5347, 952.0], [152.4253, 281.0], [167.1078, 5113.0], [168.0433, 1129.0], [174.9564, 688.0], [175.1502, 378.0], [178.1756, 366.0], [179.1064, 326.0], [182.185, 314.0], [187.5454, 298.0], [206.9146, 377.0], [209.3933, 397.0], [215.8998, 372.0], [224.0698, 633.0], [226.8015, 291.0], [255.2332, 10000.0], [255.2574, 312.0], [257.2278, 1023.0], [283.1457, 371.0], [301.2182, 1164.0], [307.7586, 285.0], [319.2282, 8579.0], [319.262, 298.0], [480.3095, 1177.0], [604.9777, 407.0], [782.5336, 7481.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_20:3;O2 #[M+HCOO]- |[iso-2] (LMPTD00000440)", "MOLECULEMASS": "860.5667", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "374", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "815.5685", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "860.566700", "SPLASH": "splash10-07vj-4697000000-8e775cca40e5b3b10d33"}, "peaks": [[78.9584, 855.0], [85.0615, 794.0], [92.8448, 923.0], [97.5325, 5043.0], [107.2019, 922.0], [108.7198, 881.0], [112.9854, 5177.0], [168.044, 960.0], [174.9563, 2242.0], [211.0128, 846.0], [211.4352, 914.0], [226.7953, 2012.0], [248.9607, 1211.0], [255.2331, 10000.0], [300.2949, 994.0], [316.9488, 2630.0], [319.2278, 7689.0], [389.7576, 919.0], [564.2903, 991.0], [875.8811, 1249.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_20:4;OH #[M+HCOO]- |[iso-7] (LMPTD00000443)", "MOLECULEMASS": "842.5556", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "379", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "797.5574", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "842.555600", "SPLASH": "splash10-0api-3296000500-47c93cd32970ae4b6975"}, "peaks": [[59.0132, 692.0], [71.3347, 497.0], [72.7051, 633.0], [91.349, 498.0], [97.5279, 1080.0], [97.5346, 2154.0], [102.8116, 604.0], [114.1649, 535.0], [150.0688, 588.0], [168.0426, 1169.0], [175.1488, 842.0], [219.1394, 1720.0], [226.7979, 1097.0], [255.2329, 10000.0], [257.2275, 2029.0], [279.0399, 517.0], [287.5488, 537.0], [301.2169, 3004.0], [304.9146, 1100.0], [319.228, 7211.0], [480.3133, 827.0], [524.2066, 547.0], [689.2131, 599.0], [782.5336, 9034.0], [820.0532, 606.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_20:4;O2 #[M+HCOO]- |[iso-4] (LMPTD00000444)", "MOLECULEMASS": "858.5506", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "380", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "813.5524", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "858.550600", "SPLASH": "splash10-0aor-2292000000-08708b0a2ba9d965f88c"}, "peaks": [[78.9585, 1730.0], [97.5341, 3617.0], [102.8046, 732.0], [105.7111, 632.0], [112.9857, 1389.0], [136.8016, 656.0], [164.1522, 817.0], [168.0438, 1036.0], [219.1753, 3700.0], [226.7293, 1426.0], [255.2332, 10000.0], [273.2231, 2036.0], [292.0492, 684.0], [304.9144, 919.0], [317.2123, 3972.0], [338.281, 751.0], [480.3111, 1250.0], [548.844, 846.0], [761.1472, 972.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 18:0_20:4;OH #[M+HCOO]- |[iso-2] (LMPTD00000445)", "MOLECULEMASS": "870.5868", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "382", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "825.5886", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "870.586800", "SPLASH": "splash10-03yi-3495000040-4862c313c14d6237d04a"}, "peaks": [[69.034, 1337.0], [70.4945, 521.0], [72.4457, 430.0], [78.9584, 700.0], [97.531, 2995.0], [112.9854, 1468.0], [119.6572, 428.0], [124.1308, 505.0], [126.5617, 437.0], [149.0555, 463.0], [167.071, 475.0], [168.0434, 1038.0], [174.9566, 2298.0], [179.1447, 600.0], [203.1806, 531.0], [226.7418, 602.0], [226.7618, 815.0], [242.9436, 1519.0], [244.0185, 578.0], [257.2279, 1159.0], [265.2035, 492.0], [279.4539, 508.0], [283.264, 10000.0], [296.4907, 458.0], [301.2158, 806.0], [310.931, 795.0], [319.2276, 6628.0], [350.5526, 459.0], [378.9176, 789.0], [508.3383, 881.0], [810.5665, 8566.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 18:0_18:2;O2 #[M+HCOO]- (LMPTD00000446)", "MOLECULEMASS": "862.5814", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "383", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "817.5832", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "862.581400", "SPLASH": "splash10-000x-2190000000-1d24cd619fa036d434ce"}, "peaks": [[65.3437, 436.0], [68.3574, 386.0], [78.9585, 1157.0], [97.5286, 1183.0], [97.5354, 1145.0], [113.0966, 771.0], [152.9954, 549.0], [168.0418, 501.0], [174.9544, 539.0], [185.1178, 469.0], [195.1399, 530.0], [223.1332, 859.0], [226.7852, 785.0], [264.7252, 432.0], [283.264, 6440.0], [293.2118, 10000.0], [307.2289, 944.0], [508.3453, 563.0], [784.5402, 856.0], [835.708, 423.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_20:3;OH #[M+HCOO]- |[iso-2] (LMPTD00000447)", "MOLECULEMASS": "844.5726", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "388", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "799.5744", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "844.572600", "SPLASH": "splash10-05gi-3389000600-d34abfac3cefe9bdc64e"}, "peaks": [[64.6541, 258.0], [71.4131, 666.0], [71.4162, 652.0], [71.4193, 533.0], [78.9586, 712.0], [80.5254, 324.0], [85.4194, 298.0], [87.1755, 404.0], [97.5269, 279.0], [97.533, 1342.0], [114.6817, 288.0], [158.9779, 334.0], [164.9277, 560.0], [166.3071, 306.0], [168.0432, 969.0], [169.1237, 796.0], [174.956, 1000.0], [181.1238, 952.0], [209.1192, 522.0], [221.1553, 358.0], [224.0697, 620.0], [227.0576, 344.0], [232.9145, 298.0], [255.2331, 8437.0], [256.2379, 309.0], [277.2181, 442.0], [281.248, 591.0], [295.2283, 802.0], [303.2337, 1887.0], [319.2271, 323.0], [321.2439, 10000.0], [324.7409, 313.0], [349.282, 254.0], [368.8934, 538.0], [425.6718, 293.0], [457.0582, 366.0], [480.3099, 453.0], [524.2771, 320.0], [530.9765, 313.0], [711.7489, 307.0], [748.1609, 360.0], [784.55, 9389.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_20:3;OH #[M+HCOO]- (LMPTD00000448)", "MOLECULEMASS": "844.5717", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "389", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "799.5735", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "844.571700", "SPLASH": "splash10-05ai-2298000600-26686df55c3ee4af8d88"}, "peaks": [[78.9584, 775.0], [79.2417, 305.0], [87.1757, 533.0], [97.5312, 1747.0], [105.5312, 305.0], [112.985, 350.0], [166.8827, 332.0], [168.0426, 667.0], [169.1231, 683.0], [174.9567, 857.0], [181.1236, 1106.0], [209.1187, 671.0], [224.0692, 697.0], [227.0118, 658.0], [249.5644, 276.0], [255.2328, 7939.0], [255.2594, 453.0], [277.2171, 501.0], [281.2489, 823.0], [295.2283, 916.0], [303.2, 378.0], [303.2326, 2016.0], [321.2432, 10000.0], [368.8944, 321.0], [480.308, 828.0], [599.9831, 373.0], [634.6516, 319.0], [784.5485, 9338.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_20:4;O2 #[M+HCOO]- |[iso-3] (LMPTD00000449)", "MOLECULEMASS": "858.5504", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "390", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "813.5522", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "858.550400", "SPLASH": "splash10-05fr-9174000000-ea29a3bd8a36d0d60f65"}, "peaks": [[70.4942, 809.0], [71.4112, 2984.0], [71.4171, 5705.0], [71.421, 3240.0], [78.9588, 1346.0], [96.473, 744.0], [97.5311, 1738.0], [136.7854, 735.0], [160.0238, 734.0], [168.0433, 1091.0], [174.9553, 765.0], [200.5593, 1108.0], [255.2325, 10000.0], [273.2233, 1432.0], [297.4468, 743.0], [317.2121, 5380.0], [331.2284, 1321.0], [334.2464, 951.0], [357.554, 717.0], [782.619, 882.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 18:0_20:4;O2 #[M+HCOO]- (LMPTD00000450)", "MOLECULEMASS": "886.5817", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "391", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "841.5835", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "886.581700", "SPLASH": "splash10-00e9-9242000000-2d7ea430ed25178d57a0"}, "peaks": [[61.8935, 1617.0], [62.9521, 1654.0], [65.0836, 1602.0], [71.4064, 4622.0], [71.4099, 7959.0], [71.4136, 4329.0], [71.4182, 1627.0], [73.4194, 1796.0], [77.87, 1700.0], [92.3803, 1519.0], [97.5324, 7976.0], [112.9852, 4435.0], [168.0433, 1581.0], [174.9562, 2652.0], [206.6345, 1559.0], [222.6234, 1675.0], [226.7155, 1854.0], [251.3145, 1752.0], [283.2637, 10000.0], [317.2131, 6615.0], [331.2286, 2976.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_20:4;OH #[M+HCOO]- |[iso-2] (LMPTD00000451)", "MOLECULEMASS": "842.5553", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "392", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "797.5571", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "842.555300", "SPLASH": "splash10-0api-2496000500-0f8a0951900266c44138"}, "peaks": [[78.9586, 785.0], [86.9471, 374.0], [86.9517, 501.0], [88.1973, 300.0], [97.5307, 1882.0], [112.9855, 578.0], [133.9211, 400.0], [141.0558, 347.0], [167.1072, 2533.0], [168.0431, 943.0], [174.9558, 557.0], [179.1082, 1028.0], [187.792, 340.0], [224.0695, 438.0], [226.7415, 516.0], [239.4337, 400.0], [255.2329, 10000.0], [257.2277, 650.0], [281.2486, 754.0], [293.2118, 994.0], [301.2173, 1300.0], [304.9131, 593.0], [319.2276, 7197.0], [352.7601, 380.0], [480.3097, 838.0], [782.5334, 8962.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 18:0_18:2;O2 #[M+HCOO]- |[iso-2] (LMPTD00000453)", "MOLECULEMASS": "862.5825", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "393", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "817.5843", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "862.582500", "SPLASH": "splash10-000x-3190000000-4d44d477874d0386ec19"}, "peaks": [[66.279, 336.0], [69.1261, 335.0], [71.41, 3961.0], [78.9585, 984.0], [83.4835, 322.0], [86.4798, 333.0], [97.532, 956.0], [112.9854, 478.0], [113.0974, 798.0], [125.0015, 386.0], [168.0433, 630.0], [174.9567, 497.0], [185.1197, 451.0], [195.1375, 483.0], [223.1342, 798.0], [224.0696, 432.0], [283.2643, 5928.0], [293.2124, 10000.0], [307.2276, 757.0], [544.997, 377.0], [566.2307, 399.0], [784.5466, 606.0], [888.2054, 442.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 18:0_18:2;OH #[M+HCOO]- |[iso-2] (LMPTD00000454)", "MOLECULEMASS": "846.5869", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "395", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "801.5887", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "846.586900", "SPLASH": "splash10-0002-1190000200-f98567b930ae7a26deb8"}, "peaks": [[72.6285, 247.0], [76.6162, 256.0], [78.9583, 507.0], [97.5338, 1424.0], [102.9565, 468.0], [112.9853, 357.0], [174.9564, 499.0], [195.1391, 1623.0], [226.7025, 463.0], [277.2173, 922.0], [283.2641, 5298.0], [295.2276, 10000.0], [295.2598, 627.0], [389.4292, 358.0], [595.4498, 287.0], [786.565, 4849.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_22:6;OH #[M+HCOO]- (LMPTD00000455)", "MOLECULEMASS": "866.5553", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "397", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "821.5571", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "866.555300", "SPLASH": "splash10-0a4i-2194000050-d31b2b776fb5e6d72a66"}, "peaks": [[78.9582, 841.0], [94.5217, 745.0], [97.5349, 2802.0], [165.8343, 710.0], [168.0433, 1090.0], [192.5869, 826.0], [224.0701, 989.0], [226.9555, 982.0], [233.1541, 850.0], [255.2328, 10000.0], [281.2271, 917.0], [343.2287, 4877.0], [344.8075, 781.0], [347.9196, 823.0], [480.3112, 1485.0], [806.5355, 8241.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_20:4;O2 #[M+HCOO]- (LMPTD00000456)", "MOLECULEMASS": "858.5502", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "400", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "813.552", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "858.550200", "SPLASH": "splash10-0ab9-9172000100-53cf8156e3d6ba6a474f"}, "peaks": [[67.8984, 884.0], [71.4187, 8134.0], [71.423, 1750.0], [73.2833, 911.0], [76.1251, 994.0], [82.8628, 959.0], [97.5322, 3242.0], [113.0969, 2192.0], [151.4719, 1019.0], [232.3239, 1019.0], [244.1428, 1084.0], [255.2329, 10000.0], [285.3744, 1085.0], [317.2127, 3432.0], [368.1497, 1068.0], [589.5513, 1310.0], [787.1643, 1037.0], [798.525, 1548.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_20:4;OH #[M+HCOO]- |[iso-5] (LMPTD00000457)", "MOLECULEMASS": "842.5555", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "401", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "797.5573", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "842.555500", "SPLASH": "splash10-0aw9-9486010300-f71096bece269223bb1e"}, "peaks": [[66.1177, 790.0], [71.403, 775.0], [71.4081, 2549.0], [71.4118, 4002.0], [71.4153, 1643.0], [71.4213, 745.0], [97.5314, 3206.0], [112.9861, 1036.0], [115.0399, 2608.0], [140.1932, 846.0], [168.0428, 784.0], [174.9562, 1057.0], [224.0702, 902.0], [255.2324, 10000.0], [257.228, 1226.0], [262.1099, 844.0], [301.2177, 1884.0], [304.9148, 1391.0], [319.2282, 5887.0], [480.3068, 1454.0], [521.5402, 807.0], [592.7012, 928.0], [666.6518, 881.0], [782.5355, 5916.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "PC 16:0_20:3;O2 #[M+HCOO]- |[iso-3] (LMPTD00000458)", "MOLECULEMASS": "860.5678", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "404", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "815.5696", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+HCOO]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "860.567800", "SPLASH": "splash10-0829-9766001000-7780297e5d36b89ae76a"}, "peaks": [[62.2666, 952.0], [68.4439, 846.0], [71.4152, 10000.0], [72.4487, 963.0], [76.2799, 1019.0], [78.9586, 1351.0], [79.1726, 1073.0], [91.1159, 982.0], [97.5307, 2797.0], [112.9857, 5824.0], [116.832, 886.0], [163.8774, 943.0], [168.0428, 1569.0], [168.2586, 894.0], [174.9565, 1410.0], [176.4705, 951.0], [180.9743, 1728.0], [185.2438, 997.0], [193.7243, 1078.0], [194.6915, 1011.0], [248.9608, 2186.0], [255.2323, 9063.0], [275.735, 1037.0], [293.2126, 1203.0], [316.9489, 2409.0], [319.2287, 6955.0], [333.2452, 1814.0], [343.3594, 915.0], [362.8641, 1189.0], [384.8776, 1212.0], [642.5029, 1429.0], [668.8776, 1008.0], [714.7317, 1026.0], [866.9814, 1025.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 18:2;OH,OH #[M+Na]+ (LMPTD00000380)", "MOLECULEMASS": "703.5631", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "228", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "680.5739", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "703.563100", "SPLASH": "splash10-001r-5902000000-a1ed1408134fe5caad39"}, "peaks": [[55.0552, 434.0], [57.0708, 712.0], [60.0816, 540.0], [67.0551, 1058.0], [67.1243, 215.0], [69.0706, 936.0], [71.0863, 805.0], [75.3456, 192.0], [79.0549, 892.0], [81.0705, 3231.0], [83.0861, 1022.0], [85.1019, 215.0], [86.097, 2320.0], [89.0603, 328.0], [90.9773, 1209.0], [91.0547, 604.0], [93.0703, 917.0], [95.086, 2771.0], [95.5502, 204.0], [97.0651, 311.0], [97.1015, 663.0], [97.5327, 753.0], [104.1075, 260.0], [105.0701, 972.0], [107.0856, 1047.0], [109.0657, 323.0], [109.1015, 2250.0], [111.1173, 326.0], [117.0691, 217.0], [119.0857, 735.0], [121.1012, 1157.0], [123.1171, 738.0], [125.0002, 1308.0], [131.0855, 404.0], [131.6615, 211.0], [133.1012, 1096.0], [133.6344, 229.0], [135.1167, 1276.0], [137.1324, 437.0], [145.101, 441.0], [147.1169, 2876.0], [149.1327, 721.0], [159.1167, 657.0], [161.1323, 1813.0], [163.1478, 531.0], [173.1322, 227.0], [175.1483, 892.0], [184.0733, 10000.0], [184.09, 338.0], [187.1484, 426.0], [201.1638, 508.0], [203.1798, 261.0], [215.1797, 458.0], [217.1959, 287.0], [226.7808, 486.0], [299.2001, 353.0], [317.2087, 1948.0], [319.2237, 540.0], [335.2188, 4360.0], [369.3535, 1042.0], [451.2927, 229.0], [703.5627, 2229.0], [721.0036, 276.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 18:1;OH #[M+Na]+ (LMPTD00000381)", "MOLECULEMASS": "689.5838", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "235", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "666.5946", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "689.583800", "SPLASH": "splash10-00di-6409002000-f0112f9926dd4bc76c0f"}, "peaks": [[53.702, 97.0], [55.055, 206.0], [57.0707, 327.0], [60.788, 101.0], [60.9659, 98.0], [62.8078, 99.0], [67.0549, 533.0], [69.0707, 507.0], [71.0862, 290.0], [73.0294, 120.0], [75.0267, 188.0], [76.6204, 187.0], [79.0547, 299.0], [81.0705, 1021.0], [83.086, 522.0], [89.0603, 204.0], [90.977, 850.0], [91.0544, 163.0], [93.037, 422.0], [93.0703, 504.0], [95.0861, 1133.0], [97.1016, 352.0], [97.5345, 497.0], [105.0702, 375.0], [107.0859, 364.0], [109.1014, 813.0], [111.1169, 121.0], [119.0862, 204.0], [121.1013, 441.0], [123.1171, 256.0], [131.0851, 126.0], [133.1016, 252.0], [135.1169, 559.0], [137.133, 170.0], [147.1165, 903.0], [148.4503, 112.0], [149.1324, 331.0], [158.9639, 242.0], [161.1327, 704.0], [163.1469, 110.0], [175.1479, 349.0], [187.1472, 150.0], [215.1801, 117.0], [227.3962, 138.0], [229.1935, 152.0], [280.4238, 105.0], [303.2281, 661.0], [318.2104, 185.0], [319.2201, 509.0], [320.2221, 321.0], [321.2398, 10000.0], [321.2696, 96.0], [369.351, 343.0], [370.3536, 111.0], [516.7491, 149.0], [645.2027, 123.0], [689.5828, 3131.0], [689.6918, 168.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 20:5;OH #[M+Na]+ (LMPTD00000396)", "MOLECULEMASS": "709.552", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "243", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "686.5628", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "709.552000", "SPLASH": "splash10-0006-5409000100-562677d890af8335f991"}, "peaks": [[52.4736, 62.0], [53.5791, 62.0], [55.0551, 191.0], [56.5723, 60.0], [57.0707, 480.0], [60.0565, 1466.0], [67.055, 504.0], [69.0707, 499.0], [71.0863, 265.0], [73.0292, 82.0], [74.695, 59.0], [79.055, 274.0], [81.0706, 967.0], [83.0863, 383.0], [85.102, 70.0], [85.3014, 82.0], [90.9772, 181.0], [91.0548, 237.0], [93.0704, 441.0], [95.086, 1354.0], [97.1018, 244.0], [97.5324, 225.0], [97.539, 128.0], [105.0704, 491.0], [107.086, 429.0], [107.4089, 64.0], [109.1015, 925.0], [111.1173, 140.0], [118.665, 60.0], [119.0857, 407.0], [121.1013, 368.0], [123.1172, 360.0], [131.0863, 60.0], [133.1008, 378.0], [135.1168, 692.0], [137.1332, 87.0], [145.1013, 79.0], [147.1167, 1081.0], [149.1327, 434.0], [159.1169, 138.0], [161.1322, 694.0], [163.1481, 108.0], [173.1328, 92.0], [175.148, 321.0], [177.1634, 78.0], [185.0163, 60.0], [189.164, 78.0], [201.163, 155.0], [203.1789, 103.0], [215.179, 140.0], [226.6846, 146.0], [243.2106, 100.0], [252.3115, 69.0], [309.0759, 63.0], [323.1981, 3052.0], [324.6818, 72.0], [327.0794, 162.0], [328.0804, 117.0], [340.1916, 84.0], [341.2086, 10000.0], [369.3517, 227.0], [370.3541, 78.0], [383.1407, 154.0], [384.1443, 126.0], [439.1998, 83.0], [440.2077, 258.0], [464.9441, 80.0], [495.2653, 163.0], [496.266, 321.0], [552.3326, 112.0], [691.0675, 75.0], [693.3466, 82.0], [709.3826, 177.0], [709.5519, 2057.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 20:4;O3 #[M+Na]+ |[iso-2] (LMPTD00000379)", "MOLECULEMASS": "743.558", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "338", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "720.5688", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "743.558000", "SPLASH": "splash10-004i-4309000100-81ce96d8f3877ea749fd"}, "peaks": [[55.0551, 143.0], [57.0344, 68.0], [57.0708, 411.0], [67.0551, 270.0], [69.0705, 319.0], [69.2228, 61.0], [71.0738, 62.0], [71.0863, 374.0], [79.055, 138.0], [81.0705, 684.0], [82.6176, 138.0], [83.086, 180.0], [85.1016, 129.0], [85.1591, 59.0], [86.0971, 436.0], [87.1001, 74.0], [89.8251, 54.0], [90.977, 174.0], [91.0547, 62.0], [93.0703, 215.0], [93.8027, 86.0], [95.0861, 780.0], [97.1015, 180.0], [97.535, 366.0], [98.4371, 57.0], [101.0633, 60.0], [105.0699, 200.0], [107.0857, 249.0], [109.0648, 122.0], [109.1014, 401.0], [111.1163, 68.0], [113.3486, 65.0], [114.0931, 53.0], [119.0856, 177.0], [121.1012, 217.0], [123.1169, 202.0], [133.1011, 172.0], [135.1167, 234.0], [137.1325, 77.0], [139.0361, 168.0], [139.6945, 55.0], [145.1013, 63.0], [146.9817, 224.0], [147.117, 434.0], [149.1324, 156.0], [151.0365, 78.0], [158.9636, 63.0], [161.1324, 331.0], [175.148, 192.0], [176.6568, 74.0], [179.0681, 330.0], [179.0813, 56.0], [184.0732, 484.0], [185.0766, 93.0], [191.0678, 218.0], [203.1785, 60.0], [220.9327, 63.0], [226.7849, 111.0], [252.7587, 62.0], [263.0894, 84.0], [274.7179, 59.0], [275.1241, 94.0], [287.125, 213.0], [357.203, 1532.0], [359.5385, 62.0], [369.3521, 103.0], [373.1985, 141.0], [374.2017, 268.0], [375.2138, 10000.0], [448.8228, 66.0], [655.4702, 76.0], [743.5572, 2228.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 16:0_18:1_18:2;OH #[M+Na]+ |[iso-2] (LMPTD00000405)", "MOLECULEMASS": "895.7356", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "339", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "872.7464", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "895.735600", "SPLASH": "splash10-00kb-9501001010-d30638f7a4b40e846e34"}, "peaks": [[65.0394, 172.0], [66.2445, 138.0], [66.5147, 131.0], [67.055, 6313.0], [67.0579, 87.0], [68.9023, 117.0], [69.0706, 4978.0], [71.05, 179.0], [71.0552, 252.0], [71.0863, 3003.0], [79.0549, 3578.0], [81.0342, 1237.0], [81.0705, 7987.0], [81.6998, 142.0], [83.0031, 130.0], [83.0497, 503.0], [83.0862, 3225.0], [85.0653, 473.0], [85.1018, 1213.0], [86.0969, 411.0], [90.9773, 183.0], [91.0547, 1613.0], [92.0793, 156.0], [92.6457, 171.0], [93.0704, 4548.0], [95.0496, 1347.0], [95.086, 7662.0], [96.0888, 200.0], [97.0652, 559.0], [97.1017, 2226.0], [97.5331, 584.0], [99.081, 955.0], [99.5269, 430.0], [105.0703, 1691.0], [107.0494, 323.0], [107.0859, 2932.0], [109.0653, 398.0], [109.1016, 3571.0], [111.0808, 281.0], [111.1171, 462.0], [113.0963, 224.0], [117.0702, 508.0], [119.0858, 1490.0], [121.1014, 2787.0], [123.0809, 165.0], [123.1167, 1189.0], [125.0001, 264.0], [125.0961, 320.0], [129.0696, 273.0], [131.0857, 725.0], [133.1011, 1308.0], [135.0807, 236.0], [135.117, 2300.0], [137.1327, 536.0], [145.1011, 549.0], [147.0802, 175.0], [147.1168, 1126.0], [149.0962, 198.0], [149.1327, 1035.0], [151.1119, 1561.0], [151.1481, 199.0], [153.0926, 140.0], [153.1275, 266.0], [157.1014, 352.0], [159.1167, 480.0], [161.0944, 186.0], [161.1323, 1099.0], [163.1115, 287.0], [163.1485, 398.0], [165.1272, 242.0], [165.1624, 191.0], [171.1168, 173.0], [173.133, 369.0], [175.1127, 155.0], [175.1485, 281.0], [177.1634, 136.0], [179.1429, 2196.0], [184.0733, 1269.0], [185.1331, 306.0], [187.1478, 308.0], [189.1275, 317.0], [189.1638, 193.0], [191.143, 184.0], [196.419, 141.0], [226.8589, 215.0], [231.2111, 287.0], [235.1698, 166.0], [239.2374, 249.0], [240.0772, 158.0], [247.2417, 268.0], [259.2043, 240.0], [261.2222, 204.0], [265.2522, 299.0], [277.2162, 2305.0], [301.2137, 1579.0], [317.208, 902.0], [318.2119, 852.0], [319.2239, 2938.0], [321.2407, 311.0], [337.2758, 229.0], [339.2883, 386.0], [359.2578, 183.0], [573.4857, 242.0], [577.5178, 889.0], [579.5308, 146.0], [599.4981, 956.0], [601.5202, 337.0], [612.4686, 298.0], [613.4796, 3815.0], [615.4952, 235.0], [638.4855, 306.0], [639.4948, 4851.0], [736.8689, 160.0], [895.7341, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 20:5;OH,OH #[M+Na]+ |[iso-2] (LMPTD00000386)", "MOLECULEMASS": "725.5471", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "340", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "702.5579", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "725.547100", "SPLASH": "splash10-0a4i-3409000100-5141f59304088dde4a4a"}, "peaks": [[55.055, 150.0], [57.0705, 223.0], [67.0551, 270.0], [69.0706, 360.0], [71.0525, 49.0], [71.0859, 188.0], [79.0546, 166.0], [80.6164, 102.0], [81.0705, 784.0], [83.0862, 308.0], [85.1017, 66.0], [89.0597, 47.0], [89.3, 93.0], [90.977, 119.0], [91.0546, 192.0], [93.0703, 329.0], [93.1792, 56.0], [95.0861, 976.0], [97.1013, 166.0], [97.5335, 218.0], [105.0702, 339.0], [107.0858, 330.0], [109.0945, 63.0], [109.1015, 727.0], [111.1168, 155.0], [119.0857, 379.0], [119.3667, 46.0], [121.1012, 341.0], [123.1167, 210.0], [123.3569, 49.0], [131.0855, 67.0], [133.062, 136.0], [133.1013, 245.0], [135.1166, 355.0], [137.1322, 83.0], [137.2485, 59.0], [145.1011, 109.0], [147.1169, 653.0], [149.1323, 341.0], [159.0413, 64.0], [159.116, 83.0], [161.1323, 608.0], [163.148, 83.0], [173.1321, 117.0], [175.148, 231.0], [177.1628, 48.0], [179.0674, 210.0], [182.3856, 44.0], [187.1477, 71.0], [189.0879, 52.0], [191.0673, 200.0], [201.164, 94.0], [203.1789, 69.0], [215.1792, 110.0], [227.161, 55.0], [229.1204, 145.0], [230.127, 138.0], [282.5546, 51.0], [321.1822, 284.0], [331.7817, 56.0], [339.1931, 2975.0], [339.2355, 105.0], [356.1907, 75.0], [357.1562, 68.0], [357.2032, 10000.0], [369.3517, 191.0], [512.2452, 71.0], [544.0811, 54.0], [725.5477, 1843.0], [756.1044, 63.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 18:0_18:2_18:2;OH #[M+Na]+ (LMPTD00000417)", "MOLECULEMASS": "921.7506", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "341", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "898.7614", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "921.750600", "SPLASH": "splash10-01c9-9501003002-9aae11e6e7cda5def64a"}, "peaks": [[65.0389, 212.0], [67.055, 4085.0], [67.0585, 231.0], [67.0601, 88.0], [69.0706, 3044.0], [69.0761, 98.0], [71.0493, 243.0], [71.055, 545.0], [71.0862, 555.0], [71.3715, 139.0], [71.3761, 661.0], [71.3798, 127.0], [71.3828, 127.0], [71.3858, 85.0], [71.3887, 76.0], [79.0549, 1832.0], [81.0338, 84.0], [81.0705, 4785.0], [81.0752, 211.0], [83.0493, 135.0], [83.0862, 2638.0], [83.0909, 96.0], [85.0649, 235.0], [85.1016, 362.0], [91.0546, 776.0], [93.0704, 2401.0], [95.0489, 222.0], [95.086, 4494.0], [95.0919, 171.0], [96.0888, 90.0], [97.0654, 320.0], [97.1017, 1521.0], [97.5334, 161.0], [97.5388, 78.0], [99.0802, 160.0], [102.4171, 551.0], [105.0701, 582.0], [107.0859, 1728.0], [109.1015, 2059.0], [109.1087, 73.0], [111.0801, 266.0], [111.1172, 523.0], [113.0957, 69.0], [117.0699, 347.0], [119.0856, 432.0], [121.1013, 2034.0], [123.117, 708.0], [125.0954, 132.0], [125.1328, 70.0], [127.1111, 94.0], [129.0697, 124.0], [131.0856, 500.0], [133.1013, 317.0], [135.1168, 1598.0], [136.4313, 82.0], [137.0952, 106.0], [137.1315, 217.0], [139.1118, 111.0], [143.0847, 119.0], [145.1011, 425.0], [147.1172, 398.0], [149.0958, 86.0], [149.1326, 859.0], [151.1469, 198.0], [153.1264, 267.0], [155.0855, 103.0], [157.1003, 130.0], [159.1158, 200.0], [159.8697, 82.0], [161.1313, 274.0], [163.1482, 351.0], [165.1289, 78.0], [169.1007, 81.0], [173.1316, 237.0], [175.1105, 84.0], [175.1471, 135.0], [177.1629, 111.0], [184.0726, 108.0], [185.1323, 72.0], [187.1472, 87.0], [197.1313, 85.0], [201.1619, 98.0], [205.1947, 84.0], [243.2096, 214.0], [247.2401, 135.0], [261.222, 388.0], [265.2531, 646.0], [301.2139, 1427.0], [317.2084, 94.0], [317.2467, 168.0], [319.2242, 3519.0], [335.2567, 170.0], [339.2891, 382.0], [599.5033, 480.0], [603.5344, 1188.0], [625.5151, 976.0], [637.4761, 105.0], [639.4952, 9283.0], [641.4969, 88.0], [651.5062, 68.0], [665.5074, 79.0], [921.7505, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 20:4;O2 #[M+Na]+ |[iso-3] (LMPTD00000403)", "MOLECULEMASS": "727.5632", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "342", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "704.574", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "727.563200", "SPLASH": "splash10-052b-8935000000-54c246f6ba52277568ba"}, "peaks": [[55.0552, 1030.0], [55.8565, 474.0], [57.0708, 1136.0], [60.0566, 537.0], [67.055, 2775.0], [69.0706, 2254.0], [71.0864, 958.0], [75.0235, 453.0], [75.1235, 468.0], [79.055, 1521.0], [81.0705, 3740.0], [83.0863, 1786.0], [83.7126, 426.0], [90.9772, 2408.0], [91.0549, 1064.0], [93.0704, 2315.0], [95.0861, 5645.0], [96.3138, 514.0], [97.1018, 1873.0], [97.535, 3147.0], [97.6617, 438.0], [105.0705, 2241.0], [106.117, 548.0], [107.0861, 2593.0], [109.1015, 3863.0], [117.0312, 712.0], [119.0858, 2087.0], [121.1013, 2275.0], [123.117, 1735.0], [131.0851, 588.0], [133.1012, 2314.0], [135.1169, 2520.0], [145.1012, 734.0], [147.1169, 4290.0], [148.1196, 602.0], [149.133, 1664.0], [159.1174, 917.0], [161.1322, 2673.0], [163.9365, 433.0], [175.1483, 1149.0], [187.1491, 549.0], [189.0889, 555.0], [189.1645, 682.0], [193.084, 896.0], [201.1636, 722.0], [215.1803, 653.0], [219.0992, 518.0], [226.6671, 1153.0], [233.1155, 2108.0], [245.1146, 4001.0], [271.1314, 3226.0], [299.1615, 572.0], [323.1973, 479.0], [325.2145, 748.0], [341.2093, 7501.0], [343.2225, 1014.0], [358.2076, 989.0], [359.2191, 10000.0], [369.3531, 788.0], [519.7447, 537.0], [521.802, 535.0], [639.4746, 1253.0], [670.6696, 531.0], [727.5586, 2223.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 16:0_18:1_20:4;OH,OH #[M+Na]+ (LMPTD00000406)", "MOLECULEMASS": "935.7308", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "344", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "912.7416", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "935.730800", "SPLASH": "splash10-000i-9402003003-a3aa20120da705e42664"}, "peaks": [[67.0551, 2302.0], [69.0707, 2427.0], [71.0863, 1732.0], [79.0549, 1788.0], [81.0706, 3414.0], [83.086, 1525.0], [85.0659, 301.0], [85.1019, 624.0], [86.097, 1367.0], [90.9772, 2818.0], [91.0548, 881.0], [93.0705, 1352.0], [95.0861, 3055.0], [97.1016, 1180.0], [97.5341, 1522.0], [98.2002, 308.0], [99.081, 292.0], [101.0108, 299.0], [103.9703, 524.0], [104.1076, 539.0], [105.0702, 561.0], [107.086, 609.0], [109.1018, 1635.0], [109.1081, 304.0], [113.0215, 267.0], [117.0697, 514.0], [119.0858, 636.0], [121.1015, 1069.0], [123.1172, 798.0], [131.0853, 529.0], [133.1012, 501.0], [135.1172, 788.0], [137.1322, 507.0], [137.1576, 266.0], [142.0769, 300.0], [143.0856, 267.0], [143.126, 276.0], [149.132, 308.0], [158.9643, 1042.0], [179.0934, 303.0], [191.0687, 389.0], [226.8613, 354.0], [226.9514, 353.0], [246.2026, 301.0], [278.7375, 282.0], [288.9241, 336.0], [305.981, 496.0], [310.8392, 296.0], [315.1928, 483.0], [323.1992, 359.0], [333.2039, 1022.0], [335.219, 757.0], [341.2079, 1566.0], [359.2184, 2968.0], [546.5809, 286.0], [577.5199, 813.0], [599.4976, 342.0], [601.5183, 326.0], [652.4578, 329.0], [653.4744, 4147.0], [655.4871, 644.0], [671.5239, 537.0], [679.4915, 3088.0], [889.685, 331.0], [935.7296, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 16:0_18:1_18:2;OH #[M+Na]+ (LMPTD00000408)", "MOLECULEMASS": "895.7349", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "347", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "872.7457", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "895.734900", "SPLASH": "splash10-00l2-9401002020-f638c1b5a6a165a13c48"}, "peaks": [[67.055, 4280.0], [68.1612, 112.0], [68.1645, 189.0], [69.0707, 2920.0], [69.0745, 200.0], [71.0498, 198.0], [71.0554, 202.0], [71.0863, 2121.0], [72.2782, 103.0], [79.0549, 1761.0], [81.0342, 109.0], [81.0705, 5571.0], [83.0499, 135.0], [83.0861, 2424.0], [85.0656, 299.0], [85.1019, 1345.0], [85.1523, 80.0], [86.0967, 98.0], [91.0549, 934.0], [93.0704, 2382.0], [95.0497, 411.0], [95.086, 5110.0], [97.0651, 307.0], [97.1016, 1491.0], [97.5345, 555.0], [97.8879, 98.0], [99.0809, 151.0], [99.5201, 182.0], [99.5273, 442.0], [105.0701, 744.0], [107.086, 1543.0], [109.065, 312.0], [109.1015, 2558.0], [109.1091, 107.0], [111.0806, 121.0], [111.1175, 462.0], [113.096, 117.0], [117.0703, 381.0], [119.0856, 657.0], [121.1014, 1435.0], [123.117, 933.0], [125.0962, 119.0], [125.1329, 101.0], [129.07, 133.0], [131.0858, 643.0], [133.1009, 493.0], [135.0804, 216.0], [135.1168, 1319.0], [137.1326, 274.0], [139.1117, 163.0], [143.0848, 112.0], [145.1013, 378.0], [147.1171, 323.0], [149.0961, 147.0], [149.1324, 718.0], [151.1112, 231.0], [151.1484, 235.0], [157.1014, 137.0], [159.117, 127.0], [161.0962, 102.0], [161.1329, 311.0], [163.1481, 384.0], [165.8583, 102.0], [171.1173, 153.0], [173.1326, 363.0], [177.1276, 164.0], [177.1637, 135.0], [179.143, 194.0], [184.0739, 318.0], [187.1484, 132.0], [219.173, 247.0], [226.737, 181.0], [226.7554, 114.0], [239.2367, 322.0], [243.2098, 161.0], [247.2419, 177.0], [261.2207, 310.0], [265.2538, 249.0], [275.203, 132.0], [277.2167, 316.0], [295.4812, 101.0], [301.2137, 1015.0], [313.2738, 296.0], [317.2471, 188.0], [319.2245, 3159.0], [319.2531, 77.0], [337.5618, 106.0], [339.2911, 286.0], [359.253, 128.0], [365.4698, 108.0], [454.899, 98.0], [573.4894, 369.0], [577.5186, 1673.0], [599.5019, 1420.0], [613.4802, 4234.0], [639.4958, 4487.0], [895.7351, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 16:0_18:1_18:2;OH #[M+Na]+ |[iso-3] (LMPTD00000409)", "MOLECULEMASS": "895.736", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "348", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "872.7468", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "895.736000", "SPLASH": "splash10-00mk-9600001010-59c144831c2d104b273d"}, "peaks": [[64.1574, 99.0], [65.0394, 262.0], [67.055, 6879.0], [67.3639, 114.0], [67.7704, 106.0], [68.1645, 158.0], [69.0706, 4466.0], [71.0499, 353.0], [71.0549, 187.0], [71.0823, 113.0], [71.0863, 3614.0], [79.0549, 3951.0], [80.8345, 129.0], [81.0343, 193.0], [81.0705, 8574.0], [81.0744, 155.0], [83.0498, 490.0], [83.0862, 3269.0], [85.0654, 370.0], [85.1018, 1024.0], [86.0971, 250.0], [89.6403, 105.0], [90.9772, 476.0], [91.0547, 1948.0], [93.0644, 160.0], [93.0704, 5177.0], [95.0496, 430.0], [95.086, 8239.0], [97.0651, 802.0], [97.1016, 2231.0], [97.5354, 550.0], [99.0809, 1762.0], [99.5201, 216.0], [99.527, 415.0], [100.8521, 114.0], [105.0451, 142.0], [105.0703, 1705.0], [107.0496, 543.0], [107.0859, 3672.0], [109.0653, 332.0], [109.1015, 3565.0], [111.0809, 421.0], [111.1173, 795.0], [113.0967, 312.0], [117.0702, 579.0], [119.0857, 1655.0], [121.0649, 210.0], [121.1014, 3515.0], [123.0803, 280.0], [123.117, 1324.0], [125.0002, 154.0], [125.096, 292.0], [129.0699, 195.0], [131.0854, 694.0], [133.1013, 1518.0], [135.0811, 129.0], [135.1064, 167.0], [135.1168, 3656.0], [137.0958, 364.0], [137.1323, 480.0], [139.1116, 200.0], [141.0908, 341.0], [143.086, 305.0], [145.1013, 546.0], [147.1169, 844.0], [149.0957, 164.0], [149.1325, 1318.0], [151.1119, 848.0], [151.1482, 200.0], [153.1276, 216.0], [157.101, 279.0], [159.1166, 503.0], [161.1323, 1439.0], [163.1116, 484.0], [163.1483, 565.0], [167.1071, 254.0], [169.1017, 118.0], [170.8011, 107.0], [171.1166, 147.0], [173.1326, 325.0], [175.1485, 341.0], [177.1272, 303.0], [179.1429, 5525.0], [181.1583, 110.0], [184.0732, 1069.0], [184.9992, 107.0], [185.1317, 254.0], [187.1485, 186.0], [189.1277, 233.0], [189.1618, 157.0], [199.1481, 172.0], [207.1737, 117.0], [213.1643, 163.0], [226.9278, 185.0], [235.1687, 265.0], [239.2367, 144.0], [241.1962, 204.0], [259.2047, 198.0], [261.2219, 165.0], [263.2369, 233.0], [265.2521, 308.0], [275.1997, 193.0], [277.2158, 1685.0], [301.2133, 1499.0], [317.2086, 437.0], [318.2123, 459.0], [319.2241, 2007.0], [321.2403, 172.0], [337.2736, 211.0], [339.2894, 498.0], [577.5167, 739.0], [599.5039, 824.0], [600.5092, 127.0], [601.5184, 549.0], [612.4694, 144.0], [613.4797, 3563.0], [613.5809, 164.0], [615.4955, 268.0], [637.471, 136.0], [638.4838, 266.0], [639.4947, 3908.0], [641.5105, 283.0], [724.5511, 130.0], [877.7258, 222.0], [895.7335, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 16:0_18:1_20:4;OH #[M+Na]+ (LMPTD00000410)", "MOLECULEMASS": "919.7352", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "351", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "896.746", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "919.735200", "SPLASH": "splash10-014i-9504004003-ef1bdab2690dcc529453"}, "peaks": [[65.0393, 69.0], [67.055, 2656.0], [69.0706, 2344.0], [70.074, 69.0], [70.8274, 94.0], [70.8316, 369.0], [71.0498, 139.0], [71.0863, 1350.0], [72.6415, 66.0], [73.7217, 93.0], [74.097, 75.0], [79.0506, 117.0], [79.0549, 1477.0], [81.0705, 3311.0], [82.0737, 83.0], [83.0497, 153.0], [83.0862, 1823.0], [84.0895, 78.0], [85.0654, 143.0], [85.1019, 677.0], [90.9772, 509.0], [91.0548, 958.0], [93.0704, 1813.0], [95.0496, 262.0], [95.086, 3540.0], [96.0894, 128.0], [97.0652, 246.0], [97.1016, 1028.0], [97.5356, 305.0], [99.0807, 319.0], [99.1167, 72.0], [102.1864, 173.0], [102.194, 487.0], [104.9033, 69.0], [105.0455, 75.0], [105.0702, 537.0], [107.0496, 269.0], [107.0858, 964.0], [109.0651, 119.0], [109.0945, 108.0], [109.1015, 1429.0], [110.1044, 75.0], [111.0808, 223.0], [111.1174, 345.0], [117.0701, 340.0], [119.0858, 486.0], [121.0652, 68.0], [121.1014, 1323.0], [123.0809, 132.0], [123.1169, 551.0], [124.12, 75.0], [129.0546, 73.0], [129.0699, 165.0], [131.0856, 348.0], [133.0648, 77.0], [133.1009, 328.0], [135.044, 112.0], [135.0807, 110.0], [135.1167, 1096.0], [137.1324, 235.0], [139.075, 68.0], [143.0856, 133.0], [145.1013, 247.0], [147.1168, 200.0], [149.1326, 527.0], [151.1118, 175.0], [151.1483, 89.0], [153.1275, 107.0], [157.1012, 91.0], [158.9647, 211.0], [159.1167, 137.0], [161.1324, 243.0], [163.1108, 82.0], [163.1483, 154.0], [171.1164, 85.0], [173.1325, 112.0], [175.1479, 123.0], [179.1429, 583.0], [183.1172, 79.0], [184.0734, 110.0], [185.1326, 98.0], [220.9331, 82.0], [226.9509, 170.0], [227.1719, 103.0], [239.2367, 120.0], [265.2524, 324.0], [277.2178, 180.0], [299.1991, 144.0], [313.2141, 78.0], [313.2738, 392.0], [315.1935, 156.0], [317.1794, 112.0], [317.2086, 7770.0], [319.2249, 90.0], [325.2144, 658.0], [339.2898, 468.0], [343.2242, 2742.0], [345.2396, 106.0], [357.2396, 192.0], [369.2411, 83.0], [483.2924, 70.0], [577.5184, 801.0], [599.4997, 339.0], [602.5249, 160.0], [603.5363, 417.0], [615.4947, 135.0], [625.5139, 143.0], [635.4648, 219.0], [637.3967, 109.0], [637.4793, 7706.0], [663.4938, 2023.0], [665.5163, 107.0], [767.5715, 172.0], [919.7348, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 20:4;OH,OH #[M+Na]+ (LMPTD00000382)", "MOLECULEMASS": "727.5627", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "353", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "704.5735", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "727.562700", "SPLASH": "splash10-0a4l-2409000100-b026b65cc91aeba67e74"}, "peaks": [[52.0275, 76.0], [55.0552, 181.0], [57.0707, 225.0], [67.055, 418.0], [69.0707, 382.0], [71.0863, 210.0], [76.8973, 73.0], [79.0549, 273.0], [80.8365, 74.0], [80.8405, 159.0], [81.0706, 914.0], [83.0863, 413.0], [85.1019, 88.0], [87.5096, 103.0], [90.9776, 75.0], [91.0546, 170.0], [93.0704, 570.0], [95.0861, 1002.0], [97.1018, 249.0], [97.5366, 337.0], [105.0702, 405.0], [107.0858, 518.0], [109.1014, 909.0], [111.1174, 128.0], [113.5822, 77.0], [115.6319, 77.0], [115.9967, 80.0], [119.0858, 490.0], [121.1013, 321.0], [123.1172, 377.0], [133.1011, 413.0], [135.1169, 645.0], [136.5499, 87.0], [137.1327, 112.0], [139.0366, 182.0], [145.1013, 149.0], [147.117, 1059.0], [149.1323, 478.0], [151.149, 104.0], [159.117, 224.0], [161.1325, 731.0], [175.1091, 185.0], [175.1486, 393.0], [179.0676, 196.0], [187.1478, 84.0], [187.3131, 80.0], [189.089, 127.0], [189.1644, 170.0], [191.0676, 454.0], [201.164, 168.0], [204.8326, 82.0], [215.1803, 111.0], [227.2032, 109.0], [231.1359, 152.0], [259.2404, 90.0], [260.9621, 90.0], [323.1983, 1186.0], [341.2087, 8019.0], [357.1989, 99.0], [358.2069, 238.0], [359.2189, 10000.0], [365.3233, 72.0], [369.3529, 221.0], [459.6916, 78.0], [460.89, 76.0], [563.9755, 77.0], [722.5173, 84.0], [727.4546, 72.0], [727.5629, 2951.0], [727.6918, 170.0], [746.758, 89.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 20:4;OH,OH #[M+Na]+ |[iso-3] (LMPTD00000383)", "MOLECULEMASS": "727.5637", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "354", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "704.5745", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "727.563700", "SPLASH": "splash10-0a4l-2409000100-0e9355358d9335cbdbac"}, "peaks": [[54.0175, 52.0], [55.0549, 129.0], [57.0704, 212.0], [57.477, 59.0], [67.0552, 258.0], [69.0707, 317.0], [71.086, 147.0], [79.0546, 183.0], [80.8359, 68.0], [80.8402, 122.0], [81.0706, 501.0], [83.0858, 196.0], [89.8035, 86.0], [90.9773, 225.0], [91.0547, 112.0], [93.0705, 303.0], [95.086, 768.0], [95.1766, 47.0], [97.1014, 133.0], [97.5379, 142.0], [105.0704, 301.0], [107.0862, 252.0], [109.1015, 552.0], [111.117, 53.0], [114.3979, 46.0], [119.0859, 244.0], [121.1008, 178.0], [123.1163, 173.0], [125.1319, 50.0], [132.005, 49.0], [133.1011, 247.0], [135.1173, 274.0], [136.9256, 44.0], [137.1319, 53.0], [145.1012, 66.0], [147.1169, 559.0], [149.1325, 258.0], [151.1477, 72.0], [159.1165, 86.0], [161.1208, 52.0], [161.1324, 434.0], [163.1479, 70.0], [173.1319, 56.0], [175.1087, 181.0], [175.148, 158.0], [176.0191, 45.0], [189.088, 212.0], [189.1632, 57.0], [191.0678, 2344.0], [192.0707, 67.0], [201.1641, 84.0], [203.18, 53.0], [205.0837, 129.0], [206.0867, 55.0], [215.179, 74.0], [220.9348, 67.0], [227.4065, 82.0], [323.1985, 211.0], [341.1657, 100.0], [341.2087, 2983.0], [341.2521, 47.0], [357.2039, 131.0], [358.2076, 190.0], [359.2191, 10000.0], [369.351, 89.0], [501.5915, 50.0], [727.5647, 2168.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 16:0_18:1_18:2;O2 #[M+Na]+ |[iso-2] (LMPTD00000411)", "MOLECULEMASS": "911.7304", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "355", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "888.7412", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "911.730400", "SPLASH": "splash10-00di-9321031050-9f1e4f1fd91f7f52a454"}, "peaks": [[65.0397, 52.0], [67.0515, 73.0], [67.0551, 1570.0], [69.0343, 50.0], [69.0707, 1405.0], [71.0498, 62.0], [71.0863, 1211.0], [79.0549, 809.0], [81.0341, 107.0], [81.0706, 2077.0], [83.0497, 149.0], [83.0862, 1443.0], [83.0912, 71.0], [85.0654, 153.0], [85.1018, 717.0], [91.0547, 493.0], [91.5101, 183.0], [91.5166, 475.0], [93.0705, 1040.0], [95.0495, 191.0], [95.086, 2099.0], [95.0921, 112.0], [97.0654, 114.0], [97.1017, 774.0], [97.5365, 279.0], [99.0812, 75.0], [105.0702, 325.0], [107.0494, 72.0], [107.086, 559.0], [109.0654, 70.0], [109.1015, 1069.0], [111.0808, 83.0], [111.117, 204.0], [117.0702, 117.0], [119.086, 299.0], [121.0643, 51.0], [121.1014, 559.0], [123.1172, 369.0], [125.0965, 60.0], [127.1118, 70.0], [129.07, 123.0], [131.0856, 81.0], [133.1011, 192.0], [135.1169, 458.0], [137.1323, 100.0], [139.1116, 59.0], [143.0849, 51.0], [145.1014, 86.0], [147.1168, 254.0], [149.1324, 206.0], [151.1483, 83.0], [153.1272, 63.0], [159.1169, 52.0], [161.1329, 86.0], [165.1642, 54.0], [171.1167, 184.0], [181.0469, 380.0], [184.0742, 57.0], [195.0641, 80.0], [195.0992, 117.0], [205.9056, 86.0], [207.1384, 109.0], [209.0788, 55.0], [221.1138, 69.0], [227.0955, 124.0], [235.1304, 139.0], [239.2371, 204.0], [240.0614, 61.0], [247.1303, 2795.0], [247.1564, 102.0], [247.2416, 101.0], [251.1237, 77.0], [253.0681, 196.0], [265.1427, 61.0], [265.2529, 109.0], [272.0513, 67.0], [277.2147, 81.0], [305.2446, 87.0], [309.1299, 63.0], [317.2083, 585.0], [323.1482, 92.0], [335.219, 1703.0], [335.2592, 92.0], [337.1609, 59.0], [357.1698, 70.0], [367.284, 118.0], [377.2671, 152.0], [403.2831, 82.0], [447.3466, 106.0], [449.2882, 186.0], [461.3583, 245.0], [463.3005, 63.0], [473.3648, 57.0], [475.3028, 139.0], [487.375, 225.0], [491.4058, 88.0], [505.3514, 109.0], [513.3903, 125.0], [519.4101, 117.0], [533.3789, 70.0], [539.4089, 118.0], [541.3859, 1963.0], [545.4215, 88.0], [555.4019, 54.0], [559.3971, 139.0], [567.4018, 1879.0], [573.4112, 98.0], [577.5184, 869.0], [599.501, 654.0], [611.4647, 354.0], [613.4028, 100.0], [615.4698, 79.0], [629.4744, 664.0], [637.4783, 318.0], [655.4899, 802.0], [669.4683, 74.0], [671.5203, 312.0], [685.5358, 71.0], [727.5869, 65.0], [771.6036, 81.0], [779.609, 112.0], [781.6144, 246.0], [793.6248, 110.0], [795.6459, 339.0], [811.642, 80.0], [823.6415, 10000.0], [837.6595, 69.0], [893.7256, 367.0], [911.7295, 764.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 16:0_18:1_18:3;OH #[M+Na]+ (LMPTD00000412)", "MOLECULEMASS": "893.7202", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "356", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "870.731", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "893.720200", "SPLASH": "splash10-014l-9402002020-a12f7d31437375946e3c"}, "peaks": [[67.0551, 4931.0], [67.2004, 112.0], [69.0707, 2825.0], [70.8312, 222.0], [71.0498, 319.0], [71.0863, 1789.0], [79.055, 1775.0], [81.0706, 5526.0], [82.0741, 172.0], [83.0499, 178.0], [83.0862, 2159.0], [85.0653, 227.0], [85.1018, 1045.0], [86.0972, 184.0], [90.9771, 537.0], [91.0548, 1019.0], [93.0704, 2411.0], [95.0495, 327.0], [95.0811, 80.0], [95.086, 5425.0], [97.0652, 343.0], [97.1017, 1175.0], [97.5357, 544.0], [99.0807, 200.0], [99.2962, 176.0], [99.3032, 476.0], [105.0705, 825.0], [107.0859, 1464.0], [109.0653, 131.0], [109.1015, 2338.0], [111.0812, 115.0], [111.1171, 219.0], [117.0701, 333.0], [119.0856, 786.0], [121.1014, 1605.0], [123.117, 949.0], [125.0966, 286.0], [129.0697, 160.0], [130.9976, 119.0], [131.0859, 408.0], [133.1009, 534.0], [135.1167, 1255.0], [137.1234, 134.0], [137.1322, 568.0], [143.0854, 158.0], [145.1011, 369.0], [147.1171, 475.0], [149.1327, 643.0], [151.1116, 216.0], [151.1481, 215.0], [153.1272, 143.0], [157.1013, 190.0], [158.9642, 155.0], [159.1171, 254.0], [161.1327, 235.0], [163.1481, 396.0], [167.107, 229.0], [173.1328, 151.0], [175.1484, 204.0], [179.143, 145.0], [184.0737, 248.0], [202.1507, 119.0], [213.5905, 112.0], [227.2678, 184.0], [239.2374, 266.0], [259.2059, 122.0], [261.2216, 276.0], [263.2373, 154.0], [265.2537, 168.0], [277.2167, 190.0], [294.7535, 111.0], [299.1988, 187.0], [301.2134, 671.0], [313.2739, 184.0], [317.2089, 3660.0], [317.2462, 276.0], [318.2124, 194.0], [319.2245, 2538.0], [337.2746, 135.0], [345.2404, 128.0], [573.4881, 171.0], [575.5052, 965.0], [577.5198, 254.0], [597.4852, 1039.0], [599.5017, 242.0], [610.4482, 200.0], [611.4635, 2499.0], [613.4796, 2073.0], [637.4799, 4999.0], [639.495, 811.0], [893.7198, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 18:3;O2 #[M+Na]+ (LMPTD00000384)", "MOLECULEMASS": "701.5473", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "357", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "678.5581", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "701.547300", "SPLASH": "splash10-001i-4419000100-20e9fb32490402c2ce6a"}, "peaks": [[55.0186, 124.0], [55.0549, 157.0], [57.0082, 66.0], [57.0707, 468.0], [58.9959, 94.0], [67.0551, 168.0], [69.0705, 266.0], [71.0863, 446.0], [73.029, 382.0], [77.0061, 67.0], [77.9496, 95.0], [79.055, 144.0], [81.0705, 562.0], [83.0863, 195.0], [85.1019, 231.0], [86.0967, 67.0], [90.9772, 222.0], [93.0703, 220.0], [95.0859, 619.0], [97.1015, 197.0], [97.5343, 289.0], [98.5872, 64.0], [99.5466, 68.0], [105.0008, 466.0], [105.0703, 262.0], [106.9965, 291.0], [107.0858, 246.0], [109.1014, 484.0], [111.1169, 114.0], [119.0858, 178.0], [121.1011, 275.0], [123.1169, 186.0], [129.4474, 70.0], [133.1013, 187.0], [135.1167, 272.0], [137.1323, 98.0], [145.1014, 130.0], [147.1167, 440.0], [148.1199, 75.0], [149.1318, 313.0], [158.9636, 69.0], [159.1163, 86.0], [161.1321, 328.0], [175.1477, 161.0], [184.0733, 268.0], [185.2744, 76.0], [193.0832, 82.0], [195.0984, 77.0], [205.083, 265.0], [215.1794, 94.0], [226.9716, 144.0], [247.1306, 434.0], [287.1606, 359.0], [288.7243, 82.0], [305.2082, 129.0], [315.1943, 183.0], [317.2095, 79.0], [321.2343, 70.0], [333.1605, 83.0], [333.2033, 10000.0], [338.5601, 74.0], [341.7146, 75.0], [369.351, 121.0], [589.7163, 74.0], [615.4773, 150.0], [655.5013, 110.0], [701.5457, 1555.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 16:0_18:0_18:2;OH #[M+Na]+ (LMPTD00000413)", "MOLECULEMASS": "897.752", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "359", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "874.7628", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "897.752000", "SPLASH": "splash10-00l5-9400001010-2e622993b02f5c80e9d4"}, "peaks": [[67.055, 7918.0], [68.5887, 509.0], [69.0708, 4747.0], [69.0742, 793.0], [71.0863, 4305.0], [79.055, 5004.0], [80.9482, 1460.0], [81.0342, 706.0], [81.0706, 10000.0], [83.0499, 566.0], [83.0862, 3668.0], [85.1018, 2235.0], [86.0973, 662.0], [90.9772, 7909.0], [91.0549, 3071.0], [93.0704, 5669.0], [95.0496, 959.0], [95.0802, 668.0], [95.086, 9621.0], [97.0651, 986.0], [97.1018, 2825.0], [97.5361, 2381.0], [98.1678, 519.0], [99.7434, 497.0], [104.4655, 445.0], [105.07, 1669.0], [107.086, 3098.0], [109.0649, 533.0], [109.1016, 4521.0], [111.1172, 692.0], [117.0695, 550.0], [119.0857, 2066.0], [121.1014, 3413.0], [123.0788, 493.0], [123.1169, 1757.0], [125.0966, 496.0], [126.0202, 472.0], [131.0859, 1206.0], [133.101, 1873.0], [135.1169, 3168.0], [137.1323, 1078.0], [145.1007, 553.0], [147.1168, 1038.0], [149.132, 815.0], [151.1116, 1106.0], [153.3534, 519.0], [154.2926, 469.0], [158.9642, 2473.0], [161.1322, 1344.0], [166.9907, 535.0], [184.0734, 2094.0], [211.6593, 522.0], [219.1748, 880.0], [220.9344, 809.0], [226.9508, 2809.0], [226.987, 741.0], [228.4299, 471.0], [244.6392, 593.0], [261.2198, 590.0], [277.2156, 991.0], [301.2157, 559.0], [319.2245, 3324.0], [542.3319, 573.0], [579.531, 1387.0], [595.4774, 587.0], [597.4844, 848.0], [601.5158, 801.0], [613.4772, 2983.0], [615.4901, 1036.0], [619.4678, 1375.0], [641.5085, 4201.0], [897.7488, 9113.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 20:4;O2 #[M+Na]+ |[iso-2] (LMPTD00000385)", "MOLECULEMASS": "727.5629", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "360", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "704.5737", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "727.562900", "SPLASH": "splash10-0abj-6933000000-8d056ab4e32d7787295e"}, "peaks": [[55.0551, 1264.0], [56.475, 352.0], [57.0708, 1839.0], [57.4274, 364.0], [67.0551, 2541.0], [69.0706, 2758.0], [71.0528, 405.0], [71.0862, 1139.0], [79.0548, 1399.0], [79.0867, 327.0], [80.0345, 309.0], [81.0705, 5634.0], [83.0862, 2950.0], [85.1016, 719.0], [90.8163, 328.0], [90.9769, 1154.0], [91.0547, 1407.0], [92.589, 331.0], [93.0705, 2974.0], [95.086, 7200.0], [96.0893, 339.0], [97.1016, 1428.0], [97.5375, 1229.0], [105.0703, 3474.0], [107.086, 3097.0], [108.9883, 323.0], [109.1015, 5419.0], [111.117, 1172.0], [117.0311, 1280.0], [119.0857, 2652.0], [121.1013, 2510.0], [123.1171, 1751.0], [131.0857, 371.0], [133.1012, 2365.0], [135.1169, 4273.0], [137.1324, 749.0], [137.6035, 361.0], [138.3442, 325.0], [145.101, 923.0], [147.1168, 6217.0], [148.1202, 463.0], [149.1322, 2455.0], [153.0523, 977.0], [159.1167, 902.0], [161.1324, 4008.0], [163.1482, 798.0], [165.052, 401.0], [173.1325, 531.0], [175.1481, 1864.0], [179.0679, 413.0], [187.1472, 693.0], [189.0889, 530.0], [189.1637, 633.0], [190.8336, 389.0], [191.0674, 718.0], [193.0829, 1223.0], [201.164, 853.0], [203.1799, 516.0], [205.0834, 1546.0], [215.1043, 356.0], [215.1791, 1177.0], [219.099, 712.0], [226.8896, 526.0], [231.0988, 1087.0], [233.1138, 561.0], [243.2101, 797.0], [245.1155, 2144.0], [257.226, 459.0], [259.1306, 785.0], [259.2411, 514.0], [268.1976, 353.0], [271.1301, 8958.0], [285.1456, 742.0], [313.2862, 346.0], [341.2084, 6312.0], [359.2186, 10000.0], [359.2532, 216.0], [369.3508, 1373.0], [370.3539, 898.0], [639.4756, 3543.0], [727.559, 1551.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 18:2;oxo #[M+Na]+ (LMPTD00000387)", "MOLECULEMASS": "685.5526", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "362", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "662.5634", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "685.552600", "SPLASH": "splash10-014i-1109001000-737402dea74e0f1b2944"}, "peaks": [[52.3709, 25.0], [52.6141, 23.0], [52.8676, 23.0], [55.0551, 51.0], [57.0707, 45.0], [67.0551, 77.0], [68.4042, 27.0], [69.0707, 126.0], [71.0404, 26.0], [71.0864, 38.0], [76.1691, 33.0], [76.173, 52.0], [79.0549, 73.0], [79.3017, 80.0], [81.0706, 170.0], [83.0863, 78.0], [93.0706, 99.0], [95.086, 290.0], [97.102, 32.0], [97.533, 113.0], [105.0701, 82.0], [107.0858, 73.0], [109.1014, 229.0], [111.117, 40.0], [119.0859, 111.0], [121.1016, 122.0], [123.108, 25.0], [123.117, 56.0], [133.1015, 79.0], [135.1167, 114.0], [137.1324, 41.0], [147.1168, 238.0], [149.1327, 85.0], [151.0773, 31.0], [154.1557, 26.0], [161.1327, 141.0], [175.1489, 72.0], [187.1482, 24.0], [201.073, 23.0], [201.163, 32.0], [226.8518, 31.0], [226.8718, 60.0], [257.2263, 27.0], [317.2087, 10000.0], [369.3521, 45.0], [398.0604, 30.0], [466.3305, 30.0], [642.9349, 28.0], [685.4448, 54.0], [685.5521, 1126.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 18:3;OH,OH #[M+Na]+ (LMPTD00000388)", "MOLECULEMASS": "701.5476", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "363", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "678.5584", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "701.547600", "SPLASH": "splash10-001i-9808000200-b422f1554d9102ff5628"}, "peaks": [[55.0551, 430.0], [57.0707, 761.0], [58.6617, 272.0], [67.055, 646.0], [69.0707, 1116.0], [69.3307, 320.0], [71.0863, 424.0], [73.0291, 849.0], [73.0948, 261.0], [81.0706, 2432.0], [82.0724, 250.0], [83.086, 794.0], [85.1018, 361.0], [89.0602, 588.0], [90.9771, 1212.0], [91.0582, 484.0], [92.3894, 274.0], [93.0701, 814.0], [95.0859, 2386.0], [97.1012, 548.0], [97.5359, 1380.0], [105.0701, 1066.0], [107.0858, 1100.0], [109.1017, 1755.0], [111.117, 364.0], [119.0858, 598.0], [121.1013, 579.0], [123.1169, 717.0], [124.9983, 300.0], [133.1015, 658.0], [135.117, 1247.0], [147.1165, 1757.0], [149.1322, 847.0], [159.1162, 360.0], [161.1323, 986.0], [167.0556, 302.0], [175.0822, 268.0], [175.1482, 762.0], [180.2002, 229.0], [181.0839, 300.0], [184.0734, 1325.0], [207.4584, 275.0], [225.0419, 381.0], [297.1827, 759.0], [315.1927, 4142.0], [315.7252, 261.0], [317.2081, 796.0], [332.1913, 534.0], [333.2035, 10000.0], [369.3527, 564.0], [696.116, 345.0], [701.5452, 4045.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 20:4;OH #[M+Na]+ (LMPTD00000389)", "MOLECULEMASS": "711.5675", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "364", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "688.5783", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "711.567500", "SPLASH": "splash10-0006-4509000100-ac7f93d96990b6fe93df"}, "peaks": [[55.0552, 216.0], [57.0707, 273.0], [58.2129, 56.0], [60.6619, 48.0], [63.3115, 56.0], [66.9993, 61.0], [67.0549, 356.0], [69.0707, 471.0], [70.9547, 59.0], [71.0863, 320.0], [79.0549, 224.0], [79.0635, 126.0], [79.9682, 51.0], [81.0705, 915.0], [83.0862, 375.0], [85.1018, 66.0], [85.8055, 79.0], [91.0548, 192.0], [93.0705, 393.0], [95.086, 1237.0], [97.1016, 213.0], [97.534, 299.0], [101.6287, 56.0], [105.0704, 318.0], [107.0858, 471.0], [109.1016, 749.0], [111.1172, 179.0], [115.2334, 59.0], [119.0858, 442.0], [121.1014, 444.0], [123.117, 415.0], [125.1325, 60.0], [131.0856, 231.0], [133.1014, 412.0], [135.1167, 605.0], [136.12, 61.0], [137.0958, 99.0], [137.133, 110.0], [145.1007, 127.0], [147.1167, 994.0], [149.0963, 141.0], [149.1326, 495.0], [149.5361, 53.0], [151.1474, 86.0], [159.1166, 187.0], [161.1326, 858.0], [163.148, 110.0], [165.091, 121.0], [173.1327, 71.0], [175.1478, 273.0], [177.091, 168.0], [187.148, 141.0], [189.1635, 64.0], [191.0679, 142.0], [201.1642, 168.0], [203.18, 81.0], [215.1797, 162.0], [219.2111, 73.0], [227.0696, 131.0], [243.2105, 82.0], [273.2558, 71.0], [301.5888, 56.0], [325.1747, 126.0], [325.2137, 3031.0], [343.2243, 10000.0], [369.3523, 258.0], [370.3545, 131.0], [580.0579, 64.0], [711.5672, 2014.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 16:0_18:1_20:3;OH #[M+Na]+ (LMPTD00000421)", "MOLECULEMASS": "921.751", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "365", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "898.7618", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "921.751000", "SPLASH": "splash10-00yr-9401003002-a68cb3a18bf0142cada8"}, "peaks": [[67.055, 4229.0], [68.0583, 125.0], [69.0707, 2930.0], [69.0744, 200.0], [70.0738, 76.0], [71.0503, 173.0], [71.0555, 246.0], [71.0863, 1399.0], [72.0899, 93.0], [74.0392, 89.0], [79.0549, 1776.0], [81.0705, 5323.0], [82.0738, 141.0], [83.0497, 185.0], [83.0862, 2202.0], [84.0896, 154.0], [85.0653, 302.0], [85.1019, 840.0], [86.0972, 168.0], [90.2552, 86.0], [90.9771, 511.0], [91.0547, 902.0], [93.0645, 106.0], [93.0704, 2350.0], [95.0495, 316.0], [95.086, 4671.0], [96.0894, 263.0], [97.0652, 314.0], [97.1016, 1489.0], [97.5335, 396.0], [99.081, 206.0], [102.4177, 440.0], [105.0703, 848.0], [107.0859, 1221.0], [109.1016, 2120.0], [109.1091, 130.0], [111.0806, 155.0], [111.117, 585.0], [117.0703, 303.0], [119.0857, 535.0], [121.1014, 1572.0], [123.0805, 104.0], [123.117, 667.0], [125.1325, 114.0], [129.0702, 121.0], [131.0856, 633.0], [133.1013, 377.0], [135.0806, 141.0], [135.1169, 1349.0], [137.1324, 301.0], [139.1119, 165.0], [143.0858, 146.0], [145.1011, 428.0], [147.1169, 380.0], [149.1326, 648.0], [151.1115, 115.0], [151.149, 138.0], [153.1276, 197.0], [158.9644, 183.0], [159.1168, 252.0], [161.1325, 341.0], [163.1482, 303.0], [165.1272, 84.0], [165.164, 102.0], [171.1163, 102.0], [173.1324, 202.0], [175.1483, 187.0], [177.1637, 163.0], [183.1165, 92.0], [184.0731, 314.0], [187.1485, 148.0], [189.1629, 102.0], [226.7921, 160.0], [226.9523, 161.0], [243.2103, 138.0], [247.2428, 168.0], [261.2219, 352.0], [265.252, 285.0], [301.2139, 967.0], [313.2737, 115.0], [317.2091, 246.0], [317.2463, 89.0], [318.214, 206.0], [319.2247, 2489.0], [319.2563, 56.0], [327.2294, 204.0], [335.2606, 123.0], [339.2885, 248.0], [343.2233, 204.0], [344.2295, 244.0], [345.2392, 615.0], [461.1042, 98.0], [577.5206, 152.0], [599.5021, 627.0], [601.5201, 138.0], [603.5342, 859.0], [625.5167, 880.0], [637.48, 1063.0], [638.4872, 260.0], [639.4951, 5651.0], [641.5116, 735.0], [664.5001, 229.0], [665.5084, 1014.0], [921.7497, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 20:5;O2 #[M+Na]+ |[iso-2] (LMPTD00000390)", "MOLECULEMASS": "725.5474", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "367", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "702.5582", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "725.547400", "SPLASH": "splash10-0ac4-7933000000-5d3b56df400a89dd2b1a"}, "peaks": [[52.8082, 448.0], [55.0551, 495.0], [57.0707, 1178.0], [60.0566, 544.0], [60.5095, 430.0], [65.4964, 455.0], [67.0552, 1703.0], [67.7885, 409.0], [69.0707, 1723.0], [71.0864, 977.0], [71.1532, 399.0], [71.3794, 686.0], [71.3842, 3685.0], [71.3876, 620.0], [71.3903, 813.0], [76.1351, 401.0], [79.0552, 1175.0], [81.0706, 4163.0], [83.0863, 1880.0], [90.9769, 629.0], [91.055, 774.0], [93.0704, 1573.0], [95.086, 4445.0], [97.1018, 911.0], [97.5337, 838.0], [105.0704, 2046.0], [106.5443, 478.0], [107.0859, 1939.0], [109.1017, 3407.0], [111.117, 766.0], [119.0859, 1106.0], [121.1016, 1652.0], [123.117, 1168.0], [131.0855, 574.0], [133.1014, 1519.0], [135.1169, 1957.0], [145.1016, 455.0], [147.1166, 3893.0], [149.1325, 1778.0], [150.0649, 405.0], [159.1165, 697.0], [161.1321, 2747.0], [163.149, 535.0], [175.1487, 886.0], [176.509, 449.0], [179.0681, 541.0], [187.1476, 793.0], [189.0889, 1043.0], [191.0525, 315.0], [191.0679, 9145.0], [203.1802, 471.0], [215.1796, 529.0], [219.0999, 463.0], [223.6539, 451.0], [231.0991, 6375.0], [243.2108, 806.0], [245.1576, 525.0], [271.1306, 4287.0], [289.0138, 403.0], [311.1626, 3260.0], [339.1926, 2870.0], [357.203, 10000.0], [369.3516, 1443.0], [430.0488, 514.0], [557.4312, 781.0], [559.4109, 2171.0], [599.4426, 1421.0], [639.4746, 897.0], [679.5075, 990.0], [725.5472, 1347.0], [759.9626, 463.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 20:3;OH #[M+Na]+ (LMPTD00000391)", "MOLECULEMASS": "713.5835", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "368", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "690.5943", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "713.583500", "SPLASH": "splash10-0002-9517000100-b19b51b18d453fc4d648"}, "peaks": [[50.8692, 218.0], [57.0708, 1435.0], [67.0551, 817.0], [69.0708, 650.0], [70.2015, 184.0], [71.0863, 1350.0], [71.3929, 1791.0], [71.3976, 740.0], [71.4006, 634.0], [71.4036, 332.0], [71.4065, 250.0], [73.4276, 190.0], [81.0705, 1299.0], [83.0862, 649.0], [85.1019, 486.0], [90.9772, 2847.0], [91.0549, 200.0], [93.0704, 409.0], [95.0861, 1897.0], [97.1019, 802.0], [97.535, 476.0], [105.0705, 387.0], [106.7626, 190.0], [107.086, 455.0], [109.1015, 1424.0], [111.1169, 289.0], [119.086, 559.0], [121.1014, 648.0], [123.117, 654.0], [125.094, 196.0], [127.112, 222.0], [133.1016, 359.0], [135.1168, 813.0], [137.1322, 196.0], [138.7504, 179.0], [144.8661, 182.0], [145.1009, 195.0], [147.1165, 1424.0], [149.1324, 338.0], [158.9643, 952.0], [161.1327, 892.0], [173.1313, 274.0], [175.1479, 390.0], [193.3565, 222.0], [201.1642, 250.0], [215.1783, 396.0], [220.9345, 790.0], [226.9505, 436.0], [243.0362, 229.0], [288.9214, 614.0], [292.1859, 244.0], [327.2297, 3392.0], [345.2401, 10000.0], [369.3502, 495.0], [394.003, 224.0], [713.5825, 2738.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 20:5;O2 #[M+Na]+ (LMPTD00000392)", "MOLECULEMASS": "725.547", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "369", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "702.5578", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "725.547000", "SPLASH": "splash10-0a5a-5934000000-f6b2e05372b3266bc20a"}, "peaks": [[50.8025, 240.0], [55.0551, 505.0], [57.0707, 909.0], [67.0549, 1272.0], [69.0707, 1607.0], [71.0863, 988.0], [79.0548, 687.0], [81.0704, 3174.0], [83.0861, 1260.0], [90.9774, 1332.0], [91.0547, 514.0], [93.0704, 1629.0], [95.086, 3375.0], [97.1015, 774.0], [97.5353, 1254.0], [105.0703, 1628.0], [107.0858, 1163.0], [109.1014, 2505.0], [110.2617, 307.0], [111.1168, 397.0], [119.0856, 890.0], [121.1012, 1214.0], [123.1169, 964.0], [131.0852, 271.0], [133.101, 1091.0], [135.117, 2157.0], [145.1012, 450.0], [147.1167, 3254.0], [148.121, 272.0], [149.0569, 304.0], [149.1325, 1378.0], [159.1174, 310.0], [161.132, 2542.0], [163.1476, 273.0], [173.1321, 572.0], [175.148, 1054.0], [189.0889, 690.0], [190.2695, 297.0], [191.0677, 5617.0], [191.1044, 343.0], [193.1942, 306.0], [201.1639, 529.0], [206.2034, 282.0], [219.099, 654.0], [227.0187, 394.0], [231.0992, 5985.0], [243.2075, 398.0], [269.1521, 308.0], [271.1296, 3963.0], [310.2845, 314.0], [311.1606, 1435.0], [339.1912, 1260.0], [357.2032, 10000.0], [369.3511, 1146.0], [559.4114, 1229.0], [599.4416, 1497.0], [620.8866, 285.0], [639.4751, 735.0], [679.5004, 640.0], [725.5414, 663.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 18:1_18:1_18:3;OH #[M+Na]+ (LMPTD00000415)", "MOLECULEMASS": "919.7355", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "372", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "896.7463", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "919.735500", "SPLASH": "splash10-014i-9404003003-6510beea4f8cf0e5cbef"}, "peaks": [[67.055, 2528.0], [69.0342, 97.0], [69.0707, 2566.0], [70.8274, 197.0], [70.8316, 380.0], [71.0863, 1846.0], [74.0971, 196.0], [74.8703, 91.0], [75.7175, 78.0], [76.5581, 102.0], [79.0548, 1521.0], [80.9485, 105.0], [81.0667, 68.0], [81.0705, 3704.0], [83.0862, 2190.0], [85.065, 127.0], [85.1018, 866.0], [86.0972, 109.0], [90.9772, 610.0], [91.0547, 1070.0], [91.6936, 94.0], [93.0704, 1903.0], [95.0494, 159.0], [95.086, 4280.0], [96.0896, 159.0], [97.0655, 125.0], [97.1016, 1299.0], [97.5375, 393.0], [99.0809, 341.0], [102.1866, 167.0], [102.1939, 446.0], [105.0453, 89.0], [105.0704, 539.0], [105.377, 98.0], [107.0496, 193.0], [107.086, 957.0], [109.0651, 162.0], [109.1014, 1291.0], [111.0809, 117.0], [111.1172, 333.0], [117.0704, 448.0], [119.0858, 463.0], [121.0656, 111.0], [121.1015, 1351.0], [122.1052, 160.0], [123.0803, 158.0], [123.1172, 763.0], [129.0697, 160.0], [131.0851, 434.0], [133.1012, 359.0], [135.0802, 117.0], [135.1167, 1092.0], [137.1324, 195.0], [145.1013, 342.0], [147.1163, 189.0], [149.1326, 454.0], [151.1117, 208.0], [151.1476, 157.0], [157.1021, 152.0], [158.9648, 148.0], [159.1167, 157.0], [161.1329, 102.0], [163.1482, 221.0], [165.1632, 146.0], [173.1327, 143.0], [175.1481, 160.0], [179.1428, 712.0], [184.0738, 162.0], [226.9525, 249.0], [239.2366, 140.0], [247.2429, 132.0], [254.0177, 110.0], [265.2536, 329.0], [277.2168, 223.0], [287.1972, 108.0], [288.9209, 170.0], [295.7491, 96.0], [299.1991, 91.0], [313.2741, 272.0], [317.1786, 121.0], [317.2086, 7381.0], [325.2145, 802.0], [339.2906, 385.0], [343.2241, 3763.0], [345.24, 95.0], [357.2415, 114.0], [383.2578, 111.0], [420.9262, 104.0], [449.779, 97.0], [519.4606, 101.0], [532.7214, 88.0], [577.5175, 768.0], [599.4981, 438.0], [603.5374, 315.0], [635.4646, 144.0], [637.3978, 94.0], [637.4796, 7481.0], [639.4948, 187.0], [663.4955, 2490.0], [767.5892, 171.0], [889.6873, 96.0], [919.7348, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 20:4;OH #[M+Na]+ |[iso-2] (LMPTD00000393)", "MOLECULEMASS": "711.5678", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "375", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "688.5786", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "711.567800", "SPLASH": "splash10-01r5-5913000000-9e6e3cc08ae2f8a89ebe"}, "peaks": [[55.0551, 1053.0], [57.0708, 2313.0], [60.2652, 229.0], [67.055, 2215.0], [68.0584, 307.0], [69.0707, 3059.0], [71.0827, 278.0], [71.0863, 2456.0], [72.0895, 365.0], [79.0548, 1252.0], [79.0634, 252.0], [81.0659, 348.0], [81.0706, 6973.0], [82.0739, 657.0], [83.0862, 3526.0], [84.0895, 367.0], [85.1017, 941.0], [91.055, 1036.0], [93.0704, 2453.0], [93.2153, 234.0], [95.086, 7719.0], [96.0894, 1136.0], [97.1016, 2481.0], [97.5331, 706.0], [105.0648, 256.0], [105.0703, 3090.0], [106.0736, 412.0], [107.0859, 3225.0], [108.0893, 517.0], [109.1015, 6444.0], [110.1048, 712.0], [111.1173, 1328.0], [119.0858, 2341.0], [120.0891, 459.0], [121.1014, 2905.0], [122.1048, 447.0], [123.1086, 281.0], [123.1169, 2785.0], [125.1327, 484.0], [128.3904, 220.0], [131.0853, 313.0], [133.1013, 2801.0], [134.1043, 325.0], [135.1075, 382.0], [135.1168, 4758.0], [136.1199, 1212.0], [137.1322, 844.0], [139.3708, 199.0], [145.1018, 1034.0], [147.1168, 8136.0], [148.1203, 2022.0], [149.1326, 2487.0], [150.136, 706.0], [151.1481, 663.0], [159.1165, 894.0], [161.1325, 6394.0], [162.136, 1835.0], [163.1477, 763.0], [164.151, 241.0], [165.1636, 448.0], [173.1329, 573.0], [175.1482, 3031.0], [176.1515, 914.0], [177.1645, 446.0], [179.1796, 351.0], [182.3158, 237.0], [187.1478, 625.0], [188.1514, 298.0], [189.1629, 924.0], [190.1662, 405.0], [191.1765, 315.0], [193.1952, 512.0], [201.1636, 938.0], [202.1678, 361.0], [203.1791, 1088.0], [205.1948, 553.0], [215.179, 1596.0], [216.1822, 455.0], [217.1954, 543.0], [218.1985, 225.0], [219.2104, 536.0], [220.2121, 265.0], [229.1942, 620.0], [233.226, 717.0], [234.2296, 359.0], [243.2103, 936.0], [244.2142, 622.0], [245.2265, 281.0], [248.2438, 354.0], [250.0047, 213.0], [255.1162, 227.0], [257.2262, 509.0], [259.2413, 695.0], [260.2445, 463.0], [261.2568, 246.0], [273.258, 305.0], [287.2734, 344.0], [288.2739, 290.0], [325.2136, 10000.0], [341.2096, 425.0], [343.2242, 8315.0], [368.3423, 273.0], [369.3512, 2953.0], [370.3544, 3924.0], [699.7623, 233.0], [711.57, 3535.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 18:2;OH,OH #[M+Na]+ |[iso-2] (LMPTD00000394)", "MOLECULEMASS": "703.5634", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "376", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "680.5742", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "703.563400", "SPLASH": "splash10-001s-5903000000-098ee1f263cb2012f6dc"}, "peaks": [[55.0552, 762.0], [57.0709, 1344.0], [60.0816, 494.0], [67.0551, 1596.0], [69.0708, 1750.0], [71.0863, 1169.0], [78.174, 209.0], [79.055, 778.0], [80.9484, 223.0], [81.0706, 3525.0], [83.0862, 1636.0], [85.1019, 482.0], [86.097, 2300.0], [87.0447, 246.0], [87.1889, 252.0], [89.0604, 529.0], [90.9773, 996.0], [91.0542, 503.0], [93.0704, 1971.0], [95.0861, 3854.0], [97.0654, 322.0], [97.1017, 1051.0], [97.5321, 582.0], [101.5253, 241.0], [104.1077, 403.0], [105.0701, 1183.0], [107.0861, 1793.0], [109.1016, 3094.0], [111.117, 861.0], [119.0857, 1827.0], [121.1015, 1158.0], [123.1171, 1367.0], [125.0, 1502.0], [131.0853, 509.0], [133.101, 1377.0], [135.1169, 2707.0], [137.1324, 264.0], [145.1012, 575.0], [147.1168, 4299.0], [149.1325, 1420.0], [151.147, 277.0], [159.1168, 890.0], [161.1325, 3586.0], [163.1483, 376.0], [165.1633, 258.0], [165.7771, 231.0], [173.1333, 388.0], [175.1479, 2039.0], [179.1793, 212.0], [184.0733, 10000.0], [187.1482, 487.0], [189.1637, 551.0], [201.1632, 551.0], [207.2097, 278.0], [215.1793, 726.0], [217.1946, 252.0], [227.2857, 420.0], [229.1949, 320.0], [243.2103, 554.0], [259.2436, 405.0], [299.1987, 365.0], [317.2089, 3010.0], [333.2036, 999.0], [334.2067, 1567.0], [335.2189, 9899.0], [369.351, 1989.0], [416.3102, 245.0], [703.5626, 4168.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 16:0_18:1_18:1;OH #[M+Na]+ (LMPTD00000416)", "MOLECULEMASS": "897.7528", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "377", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "874.7636", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "897.752800", "SPLASH": "splash10-017j-9710000000-055305b864a7c31372f2"}, "peaks": [[64.4923, 124.0], [65.0394, 259.0], [67.055, 8427.0], [69.0344, 168.0], [69.0706, 7067.0], [71.05, 339.0], [71.0863, 2668.0], [72.9172, 118.0], [79.0501, 128.0], [79.0513, 89.0], [79.0549, 5113.0], [80.9485, 229.0], [81.0341, 3811.0], [81.0386, 227.0], [81.0705, 10000.0], [83.0497, 1632.0], [83.0862, 5149.0], [83.0913, 206.0], [85.0653, 516.0], [85.1018, 789.0], [86.0969, 161.0], [90.9772, 1197.0], [91.0548, 2680.0], [93.0644, 247.0], [93.0704, 7543.0], [94.7146, 133.0], [95.0445, 108.0], [95.0496, 3552.0], [95.086, 8136.0], [97.0651, 903.0], [97.1016, 3071.0], [97.538, 382.0], [99.0809, 1579.0], [99.493, 132.0], [99.7502, 144.0], [101.06, 172.0], [105.045, 125.0], [105.0702, 2942.0], [107.0496, 519.0], [107.0859, 5127.0], [108.3357, 123.0], [109.065, 977.0], [109.0958, 97.0], [109.1015, 4769.0], [111.081, 706.0], [111.1172, 1034.0], [113.0966, 430.0], [117.0699, 633.0], [119.0857, 2251.0], [121.0649, 249.0], [121.1013, 4260.0], [123.0809, 298.0], [123.1169, 1748.0], [125.0963, 1256.0], [127.1115, 168.0], [129.07, 419.0], [129.4313, 131.0], [131.0857, 668.0], [133.1011, 3175.0], [135.0803, 545.0], [135.1169, 4181.0], [135.1275, 132.0], [137.0961, 428.0], [137.1324, 480.0], [139.1117, 235.0], [141.0913, 220.0], [143.0857, 323.0], [145.1012, 535.0], [147.0805, 327.0], [147.1168, 1729.0], [149.0961, 143.0], [149.1324, 1819.0], [151.0992, 195.0], [151.1117, 5926.0], [151.1484, 177.0], [153.0909, 287.0], [153.1269, 301.0], [157.101, 428.0], [158.9639, 336.0], [159.117, 416.0], [161.096, 180.0], [161.1324, 1877.0], [163.1117, 476.0], [163.1479, 848.0], [165.0909, 180.0], [165.1271, 1143.0], [165.1642, 240.0], [167.1064, 158.0], [167.1436, 128.0], [171.1032, 206.0], [171.1168, 855.0], [173.1326, 354.0], [175.112, 394.0], [175.1482, 651.0], [177.1275, 386.0], [177.1631, 284.0], [179.1087, 140.0], [179.1429, 4156.0], [184.0733, 462.0], [185.1323, 346.0], [187.1477, 139.0], [189.1273, 455.0], [193.1221, 212.0], [199.1487, 301.0], [203.1434, 214.0], [207.1378, 313.0], [216.9234, 159.0], [217.1577, 117.0], [217.1953, 204.0], [221.1542, 183.0], [226.9512, 397.0], [231.2104, 853.0], [235.1692, 250.0], [241.1956, 514.0], [247.2402, 278.0], [249.2215, 620.0], [259.2053, 602.0], [265.2524, 532.0], [277.2159, 5669.0], [277.2468, 252.0], [301.0587, 129.0], [303.2297, 155.0], [321.2398, 978.0], [339.2893, 811.0], [351.252, 204.0], [449.1577, 130.0], [463.2429, 133.0], [577.5154, 246.0], [599.5099, 194.0], [601.5169, 126.0], [603.5341, 777.0], [615.4962, 1801.0], [641.5106, 1330.0], [897.7481, 2867.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 20:4;O2 #[M+Na]+ (LMPTD00000395)", "MOLECULEMASS": "727.5624", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "378", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "704.5732", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "727.562400", "SPLASH": "splash10-0536-3922010000-2a442ff9b26694f62bb0"}, "peaks": [[55.0552, 519.0], [56.1201, 159.0], [57.0707, 575.0], [63.3125, 125.0], [66.4783, 141.0], [67.0551, 676.0], [69.0707, 643.0], [71.0865, 329.0], [79.0549, 288.0], [80.9509, 123.0], [81.0705, 1605.0], [81.9731, 129.0], [83.0111, 209.0], [83.0861, 725.0], [87.011, 147.0], [91.0547, 381.0], [93.0706, 816.0], [93.6448, 124.0], [95.0111, 181.0], [95.086, 1984.0], [97.1016, 447.0], [97.533, 451.0], [97.5395, 263.0], [105.0702, 648.0], [107.0861, 803.0], [109.1015, 1743.0], [111.117, 449.0], [119.0855, 655.0], [121.1013, 853.0], [123.1167, 701.0], [131.0851, 151.0], [133.1012, 921.0], [135.1171, 900.0], [136.1212, 161.0], [137.1323, 262.0], [145.1008, 420.0], [147.1169, 2287.0], [147.1277, 257.0], [147.5617, 129.0], [149.0572, 361.0], [149.1326, 857.0], [150.0653, 258.0], [151.1475, 173.0], [159.1167, 602.0], [161.1324, 1461.0], [163.1481, 197.0], [173.1322, 252.0], [175.1074, 179.0], [175.1477, 660.0], [179.068, 461.0], [189.1631, 233.0], [190.0967, 202.0], [191.05, 248.0], [191.0677, 10000.0], [191.0856, 161.0], [201.1628, 260.0], [203.179, 202.0], [203.5411, 152.0], [207.0993, 227.0], [215.1795, 535.0], [217.1951, 190.0], [219.0997, 815.0], [227.0418, 165.0], [229.1946, 164.0], [231.099, 4173.0], [231.1209, 273.0], [233.2265, 206.0], [243.2108, 159.0], [271.1302, 850.0], [341.2087, 1468.0], [359.2191, 4476.0], [368.3441, 186.0], [369.3514, 655.0], [517.4047, 200.0], [543.3798, 274.0], [559.412, 2228.0], [561.3876, 176.0], [599.4428, 928.0], [639.4752, 306.0], [727.5618, 501.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 5:0;oxo #[M+Na]+ (LMPTD00000397)", "MOLECULEMASS": "507.3808", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "381", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "484.3916", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "507.380800", "SPLASH": "splash10-052r-5920000000-7ac0e67d74822b6d965d"}, "peaks": [[55.1697, 312.0], [57.0709, 1248.0], [58.77, 341.0], [58.921, 362.0], [67.0551, 763.0], [69.0707, 749.0], [73.0296, 334.0], [75.1982, 337.0], [81.0708, 1446.0], [83.0865, 645.0], [89.0607, 356.0], [90.9772, 1809.0], [93.0707, 530.0], [95.0864, 1520.0], [97.5322, 944.0], [97.539, 818.0], [107.0861, 677.0], [107.6067, 342.0], [109.1018, 1260.0], [111.0447, 599.0], [121.1014, 684.0], [133.1015, 385.0], [135.1169, 595.0], [139.0259, 569.0], [139.0365, 10000.0], [139.0466, 647.0], [142.1039, 340.0], [147.1174, 1168.0], [149.1328, 628.0], [153.0547, 585.0], [161.1324, 584.0], [175.1484, 466.0], [191.1067, 505.0], [209.1172, 2979.0], [217.8979, 428.0], [227.2188, 660.0], [232.9287, 853.0], [237.1123, 367.0], [240.4857, 372.0], [369.3531, 913.0], [507.3767, 546.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 18:1_18:1_18:2;O2 #[M+Na]+ (LMPTD00000418)", "MOLECULEMASS": "937.7453", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "384", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "914.7561", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "937.745300", "SPLASH": "splash10-00kb-9411122030-cd76c1fdf7c85db9c672"}, "peaks": [[67.0551, 3261.0], [69.0707, 3572.0], [71.0499, 244.0], [71.0863, 710.0], [72.0652, 103.0], [72.8322, 143.0], [76.3379, 92.0], [79.0503, 87.0], [79.0549, 1823.0], [81.0339, 239.0], [81.0705, 3990.0], [81.0753, 182.0], [83.0498, 224.0], [83.0862, 3043.0], [85.0655, 295.0], [85.1018, 346.0], [91.0547, 1165.0], [92.7506, 127.0], [93.0704, 2081.0], [94.0738, 129.0], [94.4007, 266.0], [94.4073, 495.0], [95.0496, 302.0], [95.0861, 4054.0], [95.0922, 240.0], [97.0653, 370.0], [97.1017, 1657.0], [97.5324, 362.0], [97.5392, 227.0], [99.0812, 242.0], [105.0451, 99.0], [105.0704, 641.0], [107.0859, 1421.0], [109.0645, 209.0], [109.1015, 2087.0], [111.0807, 271.0], [111.1171, 525.0], [113.0962, 206.0], [117.0703, 218.0], [119.0858, 469.0], [121.0932, 193.0], [121.1014, 1855.0], [123.1169, 461.0], [125.0959, 161.0], [127.112, 303.0], [129.07, 183.0], [131.0859, 198.0], [133.1012, 413.0], [135.1168, 1556.0], [137.1319, 154.0], [139.1111, 149.0], [143.0858, 164.0], [147.1167, 440.0], [149.1322, 690.0], [153.1274, 117.0], [156.6807, 102.0], [161.1327, 237.0], [163.1472, 261.0], [171.0642, 157.0], [171.117, 260.0], [181.0472, 638.0], [195.0617, 269.0], [195.0996, 385.0], [207.1371, 193.0], [221.1154, 108.0], [226.859, 214.0], [233.1152, 132.0], [237.1094, 198.0], [247.1303, 2879.0], [247.2412, 258.0], [249.1099, 121.0], [251.1253, 159.0], [253.0676, 430.0], [265.1413, 129.0], [265.2516, 525.0], [267.0849, 164.0], [277.2169, 120.0], [305.2443, 192.0], [309.1304, 138.0], [317.2086, 1156.0], [335.1801, 225.0], [335.2188, 2797.0], [337.1621, 165.0], [339.2892, 153.0], [375.2498, 148.0], [381.2996, 168.0], [393.2988, 186.0], [403.2819, 666.0], [405.2249, 139.0], [417.2967, 259.0], [459.3401, 149.0], [461.7085, 103.0], [465.3918, 141.0], [471.3415, 185.0], [473.3586, 139.0], [475.3041, 872.0], [487.3767, 1028.0], [489.3196, 174.0], [515.3719, 215.0], [517.3504, 196.0], [531.3678, 601.0], [539.4077, 254.0], [541.3828, 111.0], [545.4176, 136.0], [559.3988, 337.0], [567.4016, 4280.0], [585.4125, 412.0], [599.4319, 404.0], [603.5328, 893.0], [615.4611, 163.0], [625.5159, 1243.0], [637.4804, 1076.0], [655.4899, 2462.0], [669.5089, 219.0], [683.5219, 172.0], [695.4885, 171.0], [697.5405, 653.0], [711.5394, 184.0], [725.559, 117.0], [739.5836, 175.0], [749.5308, 142.0], [753.5991, 171.0], [797.6223, 347.0], [807.636, 158.0], [819.6412, 148.0], [821.6536, 218.0], [849.4896, 234.0], [849.657, 10000.0], [863.6754, 149.0], [919.7323, 908.0], [935.2138, 126.0], [937.7477, 1201.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 16:0_18:1_18:2;O2 #[M+Na]+ |[iso-3] (LMPTD00000419)", "MOLECULEMASS": "911.7308", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "385", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "888.7416", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "911.730800", "SPLASH": "splash10-00ls-9411011110-6cf98933ae5a0c6c18af"}, "peaks": [[67.055, 7133.0], [69.0707, 6358.0], [71.0863, 5193.0], [79.055, 3997.0], [81.0705, 9325.0], [83.0498, 875.0], [83.0862, 5635.0], [85.0656, 794.0], [85.1018, 2984.0], [90.9771, 2270.0], [91.0549, 2235.0], [93.0705, 3974.0], [95.0496, 801.0], [95.0861, 10000.0], [97.0652, 872.0], [97.1018, 3650.0], [97.5322, 978.0], [97.5389, 1017.0], [99.0809, 482.0], [105.0703, 1704.0], [106.5298, 354.0], [107.0858, 3436.0], [109.1016, 5186.0], [111.0807, 474.0], [111.1172, 1131.0], [113.0964, 369.0], [114.1095, 388.0], [119.0857, 783.0], [121.1012, 2755.0], [123.1169, 1829.0], [125.0964, 561.0], [125.1326, 641.0], [129.0701, 459.0], [131.0856, 805.0], [133.1012, 1332.0], [135.117, 3182.0], [137.0966, 484.0], [137.1332, 893.0], [143.085, 404.0], [147.1176, 480.0], [149.1322, 717.0], [151.1114, 563.0], [158.9644, 794.0], [161.1324, 568.0], [163.1477, 443.0], [171.0864, 471.0], [181.0467, 1713.0], [184.073, 1226.0], [195.0626, 432.0], [195.1003, 576.0], [209.1154, 628.0], [221.1143, 2630.0], [225.043, 535.0], [239.2362, 572.0], [247.1304, 1165.0], [253.0672, 966.0], [265.2527, 654.0], [277.2174, 467.0], [288.9213, 695.0], [305.2464, 478.0], [317.2087, 3025.0], [319.2223, 438.0], [333.2012, 519.0], [335.2189, 1346.0], [363.1765, 488.0], [367.2853, 441.0], [377.8885, 377.0], [393.3028, 531.0], [417.2957, 573.0], [431.3155, 471.0], [431.4601, 432.0], [449.2872, 816.0], [459.3442, 801.0], [471.3466, 434.0], [473.3622, 498.0], [475.3035, 515.0], [487.3771, 646.0], [491.4071, 487.0], [515.3687, 1747.0], [529.3904, 897.0], [541.3882, 1848.0], [559.3997, 591.0], [567.4012, 556.0], [577.5168, 2228.0], [599.5029, 2328.0], [611.4646, 901.0], [629.471, 1278.0], [637.4774, 1716.0], [637.6093, 380.0], [655.489, 869.0], [659.7156, 459.0], [663.6425, 518.0], [669.5011, 511.0], [671.5208, 2679.0], [699.5481, 569.0], [727.5849, 1090.0], [760.8572, 389.0], [767.6042, 514.0], [769.624, 860.0], [781.5872, 702.0], [795.6069, 1344.0], [797.6256, 3890.0], [809.6414, 704.0], [823.6387, 2734.0], [825.6495, 864.0], [837.6568, 846.0], [865.6846, 971.0], [893.7221, 3103.0], [911.7238, 1761.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 16:0_18:1_18:2;O2 #[M+Na]+ (LMPTD00000420)", "MOLECULEMASS": "911.7298", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "386", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "888.7406", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "911.729800", "SPLASH": "splash10-00yj-9412122020-16ee0eb1c75bd9470bf2"}, "peaks": [[64.7297, 271.0], [67.055, 4724.0], [69.0706, 4189.0], [71.0863, 3002.0], [79.0549, 2030.0], [81.0346, 263.0], [81.0706, 5197.0], [83.0497, 277.0], [83.0862, 3549.0], [85.0653, 250.0], [85.1019, 1893.0], [86.0973, 245.0], [90.9774, 551.0], [91.0544, 1306.0], [91.5115, 247.0], [91.5164, 508.0], [93.0705, 2503.0], [93.8013, 247.0], [95.0498, 484.0], [95.086, 5902.0], [97.0654, 494.0], [97.1017, 2853.0], [97.5341, 1149.0], [99.0808, 347.0], [101.4193, 239.0], [105.0704, 1031.0], [107.0498, 337.0], [107.0861, 1298.0], [109.1014, 3883.0], [111.081, 364.0], [111.1176, 821.0], [117.0702, 241.0], [119.0859, 795.0], [121.1015, 2064.0], [123.1173, 1090.0], [125.0965, 264.0], [127.1119, 313.0], [131.0859, 471.0], [133.1016, 484.0], [135.1166, 1538.0], [137.1325, 557.0], [147.1174, 609.0], [149.1326, 640.0], [151.1473, 327.0], [161.1331, 276.0], [171.1172, 295.0], [181.047, 2463.0], [184.0732, 680.0], [193.0482, 282.0], [195.0631, 547.0], [195.0993, 911.0], [209.0782, 252.0], [213.1083, 243.0], [227.4677, 420.0], [239.2371, 445.0], [240.0587, 265.0], [247.1302, 2766.0], [253.0683, 1370.0], [265.2523, 703.0], [267.0825, 409.0], [272.0491, 381.0], [277.2166, 259.0], [309.1302, 365.0], [317.2089, 1878.0], [321.2068, 257.0], [335.2188, 4921.0], [337.1605, 621.0], [350.3875, 254.0], [367.2863, 751.0], [375.2519, 348.0], [377.2664, 683.0], [381.3028, 379.0], [391.2822, 339.0], [396.7329, 330.0], [403.2822, 686.0], [449.2895, 1182.0], [461.3594, 1068.0], [463.3056, 341.0], [475.3041, 1019.0], [487.3765, 615.0], [489.356, 273.0], [503.3414, 294.0], [505.3488, 643.0], [513.3901, 322.0], [515.3693, 815.0], [533.3849, 463.0], [541.3856, 1976.0], [545.3903, 334.0], [559.3945, 844.0], [567.4012, 2166.0], [573.41, 623.0], [577.5182, 1992.0], [587.4163, 273.0], [599.5025, 1967.0], [601.4455, 338.0], [611.4625, 906.0], [629.4743, 2138.0], [637.4789, 936.0], [643.4892, 349.0], [655.4905, 2545.0], [671.522, 1711.0], [685.5347, 542.0], [699.5453, 325.0], [713.5581, 371.0], [727.5864, 365.0], [771.6093, 926.0], [772.2363, 291.0], [783.6067, 470.0], [795.6268, 320.0], [823.6404, 10000.0], [837.65, 447.0], [893.7183, 1149.0], [911.7224, 1930.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 18:3;OH #[M+Na]+ (LMPTD00000398)", "MOLECULEMASS": "685.5525", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "387", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "662.5633", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "685.552500", "SPLASH": "splash10-014i-6639002000-592cb3b740f82741e723"}, "peaks": [[55.0552, 231.0], [55.6095, 39.0], [57.0708, 542.0], [67.055, 412.0], [69.0707, 366.0], [71.0863, 438.0], [72.8239, 45.0], [73.0292, 59.0], [73.0478, 154.0], [76.169, 91.0], [76.1734, 109.0], [79.0552, 170.0], [79.3018, 80.0], [81.0705, 1013.0], [83.0862, 416.0], [85.102, 181.0], [90.9772, 231.0], [91.0584, 628.0], [92.0575, 57.0], [93.0704, 358.0], [95.0861, 1145.0], [95.0919, 56.0], [96.0898, 49.0], [97.1018, 234.0], [97.132, 40.0], [97.5361, 231.0], [105.0703, 399.0], [105.0757, 44.0], [107.0859, 438.0], [109.1016, 881.0], [111.1173, 128.0], [114.572, 45.0], [118.9981, 43.0], [119.0857, 375.0], [121.1016, 378.0], [123.1168, 341.0], [124.3717, 38.0], [127.1124, 46.0], [130.4338, 35.0], [133.1012, 344.0], [135.1169, 523.0], [137.1328, 115.0], [145.1017, 109.0], [147.1166, 853.0], [147.1272, 54.0], [149.1326, 382.0], [158.9646, 68.0], [159.1169, 90.0], [161.1325, 751.0], [161.8622, 41.0], [163.1476, 90.0], [167.056, 173.0], [173.1327, 94.0], [175.1479, 331.0], [177.1635, 43.0], [183.1745, 54.0], [187.1479, 97.0], [189.1637, 95.0], [193.1945, 56.0], [201.1639, 82.0], [203.1797, 66.0], [205.0831, 68.0], [215.18, 173.0], [217.1938, 50.0], [225.0429, 215.0], [226.0428, 45.0], [226.6922, 76.0], [226.7109, 42.0], [239.0939, 90.0], [243.2105, 67.0], [257.2264, 70.0], [259.0212, 39.0], [259.2425, 108.0], [285.0086, 88.0], [287.2704, 44.0], [299.0609, 59.0], [299.198, 2681.0], [299.5287, 49.0], [315.1927, 54.0], [316.194, 63.0], [317.2086, 10000.0], [319.2251, 107.0], [359.027, 91.0], [360.0273, 133.0], [361.0298, 57.0], [369.3522, 279.0], [523.4853, 53.0], [554.1476, 43.0], [685.4324, 527.0], [685.549, 2393.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 9:0;oxo #[M+Na]+ (LMPTD00000399)", "MOLECULEMASS": "563.4433", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "394", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "540.4541", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "563.443300", "SPLASH": "splash10-0002-2900000000-c76741b3371c592c9249"}, "peaks": [[55.0551, 136.0], [57.0708, 204.0], [62.602, 47.0], [62.6049, 73.0], [67.055, 216.0], [69.0706, 291.0], [71.0863, 197.0], [72.8271, 48.0], [79.0548, 122.0], [81.0705, 647.0], [83.0863, 279.0], [84.376, 43.0], [84.6535, 52.0], [85.1018, 68.0], [89.0605, 47.0], [90.9771, 159.0], [93.0706, 270.0], [95.0861, 803.0], [97.1015, 189.0], [97.5318, 96.0], [97.5382, 120.0], [105.0703, 302.0], [105.2587, 44.0], [107.0861, 319.0], [109.1015, 625.0], [111.1172, 82.0], [119.0859, 247.0], [121.1014, 326.0], [123.1168, 254.0], [125.1329, 46.0], [133.1013, 238.0], [135.1168, 416.0], [137.1323, 125.0], [145.1013, 56.0], [147.1167, 779.0], [149.1328, 311.0], [151.1486, 80.0], [159.1168, 122.0], [160.5839, 53.0], [161.1327, 602.0], [163.1483, 124.0], [167.7957, 49.0], [173.1336, 88.0], [175.1479, 252.0], [187.1489, 131.0], [195.0628, 128.0], [195.0697, 108.0], [195.0992, 10000.0], [199.7062, 50.0], [201.1632, 100.0], [203.1796, 59.0], [205.1956, 65.0], [209.1171, 180.0], [215.18, 111.0], [217.1951, 87.0], [227.6997, 63.0], [229.1937, 72.0], [237.1118, 73.0], [243.2104, 74.0], [243.7262, 48.0], [257.226, 81.0], [259.2415, 78.0], [287.2744, 50.0], [316.2422, 48.0], [345.6594, 53.0], [369.3518, 179.0], [490.6634, 48.0], [563.4438, 1577.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 20:4;O3 #[M+Na]+ (LMPTD00000400)", "MOLECULEMASS": "743.5578", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "396", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "720.5686", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "743.557800", "SPLASH": "splash10-004i-5629000100-7b20587ed66ee444f3b9"}, "peaks": [[55.0551, 206.0], [57.0708, 531.0], [62.2748, 105.0], [67.0549, 665.0], [69.0706, 552.0], [70.2362, 109.0], [71.0862, 424.0], [79.0548, 279.0], [81.0705, 1171.0], [83.0111, 105.0], [83.0862, 382.0], [85.1016, 173.0], [86.0166, 127.0], [86.0969, 183.0], [87.1, 124.0], [90.977, 263.0], [91.0549, 114.0], [93.0703, 392.0], [95.086, 1329.0], [97.1016, 329.0], [97.5347, 534.0], [105.0701, 368.0], [107.086, 399.0], [109.1015, 1132.0], [111.1169, 262.0], [119.0857, 403.0], [121.1014, 483.0], [123.1168, 214.0], [133.1011, 334.0], [135.1171, 734.0], [139.0364, 121.0], [145.1012, 119.0], [147.1167, 876.0], [149.1325, 248.0], [159.118, 117.0], [161.1329, 545.0], [163.1471, 94.0], [165.0522, 126.0], [175.148, 247.0], [179.0678, 161.0], [184.0735, 475.0], [185.0773, 132.0], [191.0678, 1620.0], [195.0982, 249.0], [209.0792, 158.0], [215.1809, 149.0], [226.7832, 206.0], [231.1352, 160.0], [247.0947, 160.0], [259.2424, 123.0], [269.1143, 440.0], [275.1237, 122.0], [287.1256, 1520.0], [336.7494, 109.0], [339.1934, 164.0], [357.2032, 1579.0], [357.5906, 124.0], [359.2198, 141.0], [369.3512, 269.0], [374.2006, 184.0], [375.2137, 10000.0], [461.3225, 135.0], [489.3561, 97.0], [539.1342, 106.0], [549.4876, 122.0], [559.4117, 319.0], [655.47, 1015.0], [743.5605, 2025.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 22:6;OH #[M+Na]+ (LMPTD00000401)", "MOLECULEMASS": "735.5674", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "398", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "712.5782", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "735.567400", "SPLASH": "splash10-014j-5915000000-41b972856b0a86783cf5"}, "peaks": [[53.0395, 139.0], [55.0551, 473.0], [55.6338, 109.0], [57.0707, 776.0], [67.0551, 943.0], [69.0707, 1040.0], [70.0739, 137.0], [71.0863, 684.0], [73.0292, 169.0], [74.097, 101.0], [79.0549, 294.0], [80.2245, 93.0], [81.0706, 2112.0], [81.3726, 94.0], [82.074, 220.0], [83.0861, 1091.0], [85.1017, 348.0], [86.0968, 153.0], [90.9769, 170.0], [91.0548, 468.0], [93.0705, 944.0], [95.0861, 2616.0], [96.0894, 224.0], [97.1018, 577.0], [97.5367, 598.0], [102.9854, 238.0], [104.9809, 263.0], [105.0702, 902.0], [107.086, 991.0], [109.1016, 1985.0], [110.1048, 286.0], [111.1171, 369.0], [115.8595, 102.0], [119.0856, 858.0], [120.0886, 106.0], [120.9955, 367.0], [121.1014, 1178.0], [122.9915, 657.0], [123.1169, 795.0], [125.1324, 159.0], [126.0886, 109.0], [131.0855, 200.0], [133.1014, 877.0], [134.1043, 204.0], [135.1168, 1379.0], [136.1201, 166.0], [137.1327, 273.0], [145.1009, 359.0], [147.1168, 2429.0], [147.1286, 120.0], [148.1198, 395.0], [149.1325, 940.0], [150.1355, 181.0], [159.1168, 280.0], [160.1196, 119.0], [161.1324, 1943.0], [162.1356, 354.0], [163.1475, 254.0], [163.3172, 109.0], [165.1637, 104.0], [173.1326, 234.0], [174.1373, 120.0], [175.1482, 846.0], [176.1515, 236.0], [184.073, 617.0], [185.0769, 193.0], [187.1477, 327.0], [189.1642, 178.0], [190.1664, 133.0], [193.194, 148.0], [201.1634, 264.0], [203.1788, 206.0], [205.1949, 187.0], [215.1795, 446.0], [217.1948, 145.0], [219.2109, 148.0], [226.6754, 267.0], [229.1946, 153.0], [231.2973, 117.0], [243.2109, 258.0], [244.215, 125.0], [257.2252, 133.0], [273.2568, 138.0], [289.7464, 102.0], [349.2136, 2789.0], [367.2242, 10000.0], [369.3512, 622.0], [370.3551, 529.0], [499.607, 124.0], [735.5659, 1600.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 16:0_18:1_18:2;oxo #[M+Na]+ (LMPTD00000423)", "MOLECULEMASS": "893.7197", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "399", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "870.7305", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "893.719700", "SPLASH": "splash10-014l-9405003030-2fa612dade2373faeb0d"}, "peaks": [[67.055, 1746.0], [67.9404, 129.0], [69.0671, 103.0], [69.0706, 1496.0], [70.8278, 103.0], [70.8311, 138.0], [71.0827, 102.0], [71.0863, 1450.0], [79.0506, 94.0], [79.0549, 885.0], [81.0341, 142.0], [81.066, 145.0], [81.0706, 2279.0], [82.0737, 137.0], [83.0496, 136.0], [83.0862, 1400.0], [84.0893, 73.0], [85.0657, 77.0], [85.1018, 647.0], [86.0969, 74.0], [88.1297, 91.0], [90.9772, 721.0], [91.0549, 573.0], [93.0704, 1057.0], [95.0496, 129.0], [95.086, 2745.0], [95.0921, 141.0], [96.089, 102.0], [97.065, 148.0], [97.1016, 770.0], [97.5375, 351.0], [99.0809, 192.0], [99.3031, 380.0], [101.0174, 82.0], [105.07, 381.0], [107.049, 76.0], [107.0859, 665.0], [109.0651, 177.0], [109.0945, 103.0], [109.1015, 1308.0], [110.1044, 127.0], [111.0806, 128.0], [111.1168, 200.0], [119.0855, 322.0], [121.1014, 768.0], [123.1171, 462.0], [125.0967, 101.0], [131.0855, 149.0], [133.1012, 271.0], [135.1169, 630.0], [137.1323, 258.0], [145.1014, 79.0], [147.1166, 222.0], [149.1323, 252.0], [151.1118, 385.0], [151.1479, 87.0], [157.1011, 109.0], [158.964, 256.0], [161.1322, 222.0], [163.1476, 93.0], [175.1472, 121.0], [179.143, 419.0], [184.0732, 457.0], [226.6799, 168.0], [226.9512, 119.0], [239.2367, 98.0], [265.2534, 138.0], [277.2164, 457.0], [287.197, 210.0], [299.2004, 84.0], [313.2738, 193.0], [317.2086, 10000.0], [319.2236, 202.0], [343.2224, 158.0], [357.2392, 119.0], [478.1199, 82.0], [576.5074, 125.0], [577.5179, 534.0], [578.5243, 130.0], [599.5009, 140.0], [602.5214, 90.0], [611.4639, 2914.0], [615.3987, 83.0], [615.4977, 109.0], [637.4796, 3767.0], [639.4966, 121.0], [783.4594, 73.0], [853.151, 72.0], [893.7192, 7240.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "CE 22:6;OH,OH #[M+Na]+ (LMPTD00000402)", "MOLECULEMASS": "751.5626", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "402", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "728.5734", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "751.562600", "SPLASH": "splash10-00ls-7908000100-d647dfad2560ec3b16bb"}, "peaks": [[55.055, 874.0], [57.0707, 791.0], [60.0564, 348.0], [67.0549, 1175.0], [69.0706, 1308.0], [71.0862, 1228.0], [79.055, 868.0], [81.0705, 2897.0], [83.0859, 1320.0], [83.5072, 311.0], [85.1014, 454.0], [90.9771, 648.0], [93.0702, 1219.0], [95.086, 2804.0], [95.4152, 321.0], [96.0896, 303.0], [97.1015, 850.0], [97.5357, 1614.0], [105.0701, 1017.0], [106.0735, 366.0], [107.0858, 1353.0], [109.1016, 1961.0], [111.1171, 719.0], [117.6094, 307.0], [119.0856, 1073.0], [121.1012, 1027.0], [123.1168, 999.0], [125.7554, 321.0], [127.8275, 278.0], [133.1008, 1055.0], [135.1168, 2039.0], [136.1194, 480.0], [137.1326, 407.0], [145.1012, 331.0], [146.9811, 338.0], [147.1168, 2526.0], [149.1324, 1268.0], [161.1326, 2785.0], [162.136, 367.0], [163.1481, 432.0], [173.1323, 294.0], [175.1477, 967.0], [187.1481, 499.0], [189.1634, 508.0], [203.1798, 404.0], [215.1788, 376.0], [227.1355, 483.0], [257.2258, 372.0], [338.6585, 352.0], [347.1974, 1319.0], [365.2085, 10000.0], [369.3502, 1305.0], [370.3541, 1256.0], [372.106, 331.0], [383.2189, 8779.0], [406.08, 367.0], [431.3372, 314.0], [520.413, 379.0], [710.3787, 602.0], [751.5639, 4263.0], [760.743, 367.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TG 16:0_18:0_18:2;OH #[M+Na]+ |[iso-2] (LMPTD00000424)", "MOLECULEMASS": "897.7525", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "403", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "874.7633", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+Na]+", "LIBQUALITY": "4", "PI": "Fedorova Lab", "MSLEVEL": "2", "PEPMASS": "897.752500", "SPLASH": "splash10-00ke-9511001010-a86cbbf0d4fbf80816a0"}, "peaks": [[67.055, 6084.0], [69.0707, 3292.0], [71.0864, 3415.0], [71.2792, 451.0], [79.0549, 3783.0], [79.4572, 437.0], [80.9488, 685.0], [81.0341, 757.0], [81.0706, 7981.0], [83.0862, 2883.0], [85.1018, 1754.0], [86.0968, 960.0], [90.9772, 4935.0], [91.0549, 1860.0], [93.0704, 4141.0], [95.0496, 1161.0], [95.086, 6995.0], [97.1016, 2026.0], [97.5321, 1431.0], [97.5389, 1046.0], [98.2163, 488.0], [99.2381, 486.0], [100.0599, 508.0], [101.0822, 432.0], [105.0702, 1465.0], [107.0861, 3376.0], [109.1016, 4696.0], [117.0699, 505.0], [119.0857, 1236.0], [121.1014, 2153.0], [123.1169, 1889.0], [125.2482, 416.0], [131.0853, 727.0], [133.101, 1592.0], [135.0809, 469.0], [135.117, 2237.0], [137.1328, 833.0], [139.1113, 628.0], [144.4419, 409.0], [145.1011, 1010.0], [147.1169, 1157.0], [149.1324, 783.0], [151.1114, 1001.0], [158.9642, 1791.0], [161.1323, 491.0], [166.7852, 482.0], [179.1432, 951.0], [184.0733, 1855.0], [185.1348, 463.0], [216.9224, 1318.0], [220.9331, 505.0], [226.8033, 930.0], [226.9512, 1622.0], [277.2153, 1099.0], [288.9213, 443.0], [294.9706, 432.0], [301.2137, 1386.0], [319.2253, 3992.0], [320.2255, 643.0], [321.2367, 558.0], [544.6396, 501.0], [579.5321, 861.0], [595.4636, 438.0], [597.4856, 737.0], [613.4849, 2642.0], [615.4918, 476.0], [619.4647, 604.0], [641.5082, 3422.0], [707.3724, 428.0], [897.7493, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 84:0; 16:0-(9-O-18:0)/16:0/16:0-(9-O-18:0) (LMPTD00000361)", "MOLECULEMASS": "1389.284", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "4", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1371.2502", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1389.284000", "SPLASH": "splash10-004i-0000091000-e1961502ac31f2fa6b8c"}, "peaks": [[120.2183, 20.0], [121.1847, 17.0], [147.5748, 28.0], [194.3714, 19.0], [217.0198, 22.0], [239.2367, 35.0], [247.2422, 23.0], [265.2527, 135.0], [312.4819, 18.0], [313.2738, 143.0], [339.2894, 81.0], [406.407, 17.0], [510.6278, 17.0], [551.5041, 154.0], [577.5193, 10000.0], [578.5207, 42.0], [603.5347, 2251.0], [833.755, 163.0], [859.7752, 236.0], [939.9074, 21.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 68:2; 18:1-(10-O-18:1)/16:0/16:0 (LMPTD00000372)", "MOLECULEMASS": "1131.027", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "6", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1112.9932", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1131.027000", "SPLASH": "splash10-0fb9-0000090000-04f244dfa7c14295b725"}, "peaks": [[81.0699, 65.0], [83.0856, 44.0], [95.0855, 99.0], [97.1012, 43.0], [97.1173, 60.0], [109.101, 91.0], [111.1169, 14.0], [120.5765, 14.0], [121.1015, 20.0], [123.1169, 52.0], [125.1322, 20.0], [135.1169, 34.0], [137.1327, 26.0], [140.8257, 68.0], [147.1161, 14.0], [149.1323, 23.0], [151.1479, 27.0], [161.1326, 18.0], [163.1481, 28.0], [165.1632, 20.0], [175.1484, 21.0], [210.7316, 15.0], [216.253, 14.0], [217.6518, 33.0], [221.2268, 24.0], [239.2368, 200.0], [245.227, 146.0], [263.2364, 434.0], [265.2508, 16.0], [301.2531, 14.0], [304.234, 17.0], [313.2732, 418.0], [319.2625, 114.0], [409.1769, 14.0], [528.9729, 19.0], [551.5032, 8507.0], [575.503, 10000.0], [576.5043, 25.0], [577.5179, 112.0], [601.516, 84.0], [776.9899, 16.0], [813.7289, 81.0], [831.7429, 70.0], [857.7665, 75.0], [1084.57, 16.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 70:4; 18:2/16:0-(5-O-18:0)/18:2 (LMPTD00000376)", "MOLECULEMASS": "1155.027", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "8", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1136.9932", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1155.027000", "SPLASH": "splash10-0002-0000092000-bc8399b4985492cba619"}, "peaks": [[81.0698, 76.0], [83.0857, 33.0], [93.0699, 25.0], [95.0856, 88.0], [97.1012, 38.0], [97.1084, 9.0], [103.5993, 6.0], [105.0697, 7.0], [107.0854, 32.0], [109.1012, 56.0], [111.0804, 10.0], [111.117, 13.0], [121.1011, 101.0], [123.1166, 54.0], [133.101, 21.0], [134.5734, 7.0], [135.1171, 51.0], [137.1324, 32.0], [147.1168, 24.0], [149.1323, 52.0], [149.617, 8.0], [149.6269, 9.0], [151.1481, 30.0], [153.1269, 11.0], [159.1168, 7.0], [161.1325, 33.0], [163.148, 38.0], [165.1637, 25.0], [175.1481, 22.0], [177.1637, 23.0], [189.1632, 14.0], [203.1798, 8.0], [218.042, 9.0], [220.7342, 7.0], [231.2115, 9.0], [235.1683, 9.0], [243.2104, 38.0], [245.2256, 92.0], [247.2421, 114.0], [257.2483, 8.0], [261.221, 70.0], [263.2096, 6.0], [263.2367, 224.0], [265.2522, 149.0], [283.2629, 43.0], [317.2468, 20.0], [319.2627, 111.0], [335.2583, 23.0], [337.2734, 358.0], [339.2891, 144.0], [391.2825, 11.0], [393.3034, 7.0], [507.4606, 11.0], [525.4609, 42.0], [527.4833, 32.0], [543.4796, 41.0], [555.8375, 8.0], [559.4719, 9.0], [575.5042, 106.0], [577.5167, 28.0], [599.5034, 10000.0], [600.5087, 15.0], [601.5187, 2872.0], [603.5348, 84.0], [615.5032, 13.0], [617.5138, 173.0], [755.6154, 9.0], [769.6489, 9.0], [857.7554, 48.0], [863.7458, 89.0], [881.7584, 417.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 66:0; 16:0-(9-O-18:0)/16:0/16:0 (LMPTD00000371)", "MOLECULEMASS": "1107.027", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "9", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1088.9932", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1107.027000", "SPLASH": "splash10-0fb9-0000090000-825d1c95c65816e3dd9f"}, "peaks": [[81.0699, 22.0], [83.0856, 28.0], [85.1013, 14.0], [91.7724, 6.0], [95.0856, 44.0], [97.1014, 26.0], [97.1186, 12.0], [109.1013, 37.0], [111.1169, 17.0], [121.1012, 12.0], [123.117, 22.0], [125.1328, 9.0], [135.1167, 11.0], [137.1328, 13.0], [141.0695, 14.0], [147.836, 5.0], [149.1328, 9.0], [151.1478, 12.0], [160.8955, 6.0], [179.1787, 5.0], [217.6307, 8.0], [221.2278, 10.0], [239.2368, 173.0], [247.242, 36.0], [257.247, 79.0], [265.2525, 127.0], [295.9938, 6.0], [313.2733, 161.0], [313.3074, 10.0], [330.1046, 7.0], [339.289, 12.0], [406.7701, 5.0], [486.11, 7.0], [503.4834, 8.0], [551.5035, 8476.0], [552.5064, 23.0], [577.519, 10000.0], [578.5198, 32.0], [628.1686, 7.0], [675.4257, 7.0], [815.7472, 23.0], [833.7574, 187.0], [859.6508, 6.0], [881.3893, 7.0], [899.9069, 7.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 70:4; 16:0-(5-O-18:0)/18:2/18:2 (LMPTD00000359)", "MOLECULEMASS": "1155.027", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "11", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1136.9932", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1155.027000", "SPLASH": "splash10-0002-0000091000-d583430c3c5f90b8f538"}, "peaks": [[83.0856, 43.0], [89.5095, 42.0], [95.0854, 65.0], [98.1149, 38.0], [109.1014, 54.0], [121.1012, 66.0], [123.1172, 59.0], [129.583, 37.0], [163.1476, 49.0], [217.8954, 57.0], [261.2211, 75.0], [263.2376, 269.0], [265.2525, 81.0], [272.1894, 44.0], [319.2632, 100.0], [337.2728, 222.0], [339.2899, 71.0], [401.5238, 40.0], [428.5687, 45.0], [525.4672, 73.0], [529.1487, 41.0], [575.5046, 168.0], [577.5139, 55.0], [599.5034, 10000.0], [601.5192, 2014.0], [603.5346, 73.0], [617.5109, 77.0], [857.7476, 80.0], [881.7614, 327.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 70:4; 18:2/16:0-(9-O-18:0)/18:2 (LMPTD00000373)", "MOLECULEMASS": "1155.027", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "16", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1136.9932", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1155.027000", "SPLASH": "splash10-0udi-0010049020-02999a23ece8f9dfe7ed"}, "peaks": [[81.0699, 107.0], [83.0854, 69.0], [85.1012, 20.0], [93.0698, 47.0], [94.0499, 15.0], [95.0854, 163.0], [96.901, 15.0], [97.1011, 62.0], [97.1178, 30.0], [99.0804, 20.0], [107.0856, 26.0], [109.1013, 92.0], [121.101, 118.0], [123.1167, 93.0], [125.0962, 17.0], [133.1015, 28.0], [135.1171, 100.0], [137.1326, 54.0], [141.1277, 21.0], [147.1166, 24.0], [148.9448, 17.0], [149.1326, 85.0], [150.1243, 54.0], [150.6355, 23.0], [151.1482, 56.0], [154.8361, 16.0], [161.1323, 38.0], [163.1479, 68.0], [165.1635, 43.0], [175.1479, 33.0], [177.1635, 34.0], [179.1794, 28.0], [180.4115, 26.0], [187.1489, 18.0], [189.1647, 25.0], [201.1622, 23.0], [217.8888, 25.0], [217.9065, 21.0], [221.2258, 23.0], [223.3162, 17.0], [243.2108, 85.0], [245.2259, 175.0], [245.6766, 16.0], [247.2421, 74.0], [257.2474, 57.0], [261.2207, 254.0], [263.2367, 366.0], [265.2522, 301.0], [266.9532, 17.0], [289.2543, 20.0], [317.2469, 64.0], [317.2828, 23.0], [319.2626, 109.0], [323.9709, 19.0], [337.2732, 225.0], [339.2891, 433.0], [487.3768, 21.0], [507.4618, 28.0], [508.0435, 21.0], [525.4665, 161.0], [527.4802, 43.0], [543.4778, 139.0], [545.4889, 24.0], [575.5048, 182.0], [577.5204, 126.0], [599.5032, 4737.0], [601.5189, 10000.0], [603.4377, 25.0], [603.5352, 496.0], [615.5012, 65.0], [617.5156, 113.0], [627.523, 20.0], [674.9713, 20.0], [739.6461, 20.0], [769.6428, 56.0], [777.3039, 21.0], [783.6696, 38.0], [797.6736, 27.0], [857.7584, 117.0], [863.7482, 268.0], [881.7581, 2208.0], [934.6075, 19.0], [1114.3002, 20.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 66:1; 18:1-(5-O-16:0)/16:0/16:0 (LMPTD00000362)", "MOLECULEMASS": "1105.011", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "24", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1086.9772", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1105.011000", "SPLASH": "splash10-0udi-0000090000-8b7f29b8c5767b3cda6e"}, "peaks": [[82.0758, 20.0], [84.5745, 22.0], [84.7442, 20.0], [95.0856, 26.0], [95.3943, 24.0], [97.1009, 28.0], [97.11, 102.0], [102.5735, 26.0], [135.1167, 31.0], [137.6215, 31.0], [161.7236, 23.0], [184.58, 22.0], [217.6837, 28.0], [219.212, 31.0], [221.2265, 23.0], [237.2218, 64.0], [239.2375, 156.0], [313.2736, 279.0], [457.388, 28.0], [549.3983, 54.0], [549.4877, 2188.0], [551.5034, 10000.0], [553.5209, 36.0], [575.5097, 40.0], [577.5151, 123.0], [678.8048, 31.0], [831.7515, 111.0], [1047.6326, 27.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 66:0; 16:0-(7-O-18:0)/16:0/16:0 (LMPTD00000370)", "MOLECULEMASS": "1107.026", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "25", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1088.9922", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1107.026000", "SPLASH": "splash10-0ufr-0000090000-9cbe47c3e6647cbb76bc"}, "peaks": [[81.0697, 24.0], [83.0854, 23.0], [85.101, 20.0], [95.0854, 45.0], [97.101, 17.0], [97.1091, 50.0], [106.4355, 14.0], [109.1008, 41.0], [113.89, 15.0], [121.101, 18.0], [123.1168, 34.0], [133.0101, 14.0], [134.7799, 15.0], [134.7893, 15.0], [135.117, 20.0], [137.1326, 19.0], [141.069, 67.0], [167.0515, 16.0], [184.2002, 14.0], [197.103, 19.0], [218.0263, 30.0], [232.9011, 17.0], [239.2366, 186.0], [247.242, 43.0], [257.2481, 52.0], [265.2528, 172.0], [273.2033, 15.0], [282.3493, 14.0], [313.2734, 438.0], [339.2899, 18.0], [483.196, 21.0], [504.5117, 20.0], [527.2061, 28.0], [551.5034, 10000.0], [552.5008, 17.0], [577.5188, 8161.0], [578.5202, 20.0], [695.2173, 18.0], [782.4277, 25.0], [833.7611, 181.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 66:1; 18:1-(9-O-16:0)/16:0/16:0 (LMPTD00000374)", "MOLECULEMASS": "1105.013", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "32", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1086.9792", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1105.013000", "SPLASH": "splash10-0f6t-0000090000-3394d55fa01551088356"}, "peaks": [[139.1081, 112.0], [139.1844, 118.0], [176.4486, 128.0], [210.6095, 109.0], [217.6027, 200.0], [237.2218, 138.0], [291.2103, 128.0], [292.2638, 124.0], [313.275, 154.0], [549.4877, 10000.0], [551.5035, 8518.0], [581.9182, 145.0], [601.923, 158.0], [942.0038, 137.0], [1094.0208, 144.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 64:0; 16:0-(7-O-16:0)/16:0/16:0 (LMPTD00000365)", "MOLECULEMASS": "1078.995", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "34", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1060.9612", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1078.995000", "SPLASH": "splash10-0udj-0000090000-a6b465136f4fecb8cc0d"}, "peaks": [[81.0698, 34.0], [83.0855, 30.0], [95.0853, 33.0], [97.1013, 20.0], [97.1089, 28.0], [105.3175, 14.0], [109.1011, 20.0], [111.117, 15.0], [121.1009, 40.0], [123.1167, 25.0], [137.1323, 30.0], [137.6211, 64.0], [151.148, 15.0], [188.5414, 13.0], [193.079, 16.0], [217.5602, 17.0], [219.2104, 63.0], [237.2211, 180.0], [239.2367, 199.0], [257.2474, 42.0], [271.4597, 15.0], [311.2604, 17.0], [313.2732, 434.0], [549.4875, 7928.0], [551.5032, 10000.0], [552.4988, 16.0], [553.5272, 30.0], [555.6042, 18.0], [557.6224, 19.0], [603.4578, 17.0], [637.1899, 18.0], [805.728, 185.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 66:0; 16:0-(5-O-18:0)/16:0/16:0 (LMPTD00000375)", "MOLECULEMASS": "1107.026", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "39", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1088.9922", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1107.026000", "SPLASH": "splash10-0udi-0000090000-23989ea93f20de42249b"}, "peaks": [[81.0703, 20.0], [83.086, 18.0], [95.086, 44.0], [97.1018, 21.0], [101.2017, 13.0], [109.1015, 25.0], [123.1173, 24.0], [140.3412, 15.0], [141.0704, 16.0], [195.2299, 16.0], [216.6004, 15.0], [217.9809, 23.0], [238.5614, 17.0], [239.2364, 159.0], [247.2429, 21.0], [265.2536, 57.0], [283.2638, 21.0], [313.2732, 289.0], [367.2859, 23.0], [428.8633, 18.0], [521.4769, 14.0], [551.5032, 10000.0], [552.5068, 28.0], [577.5185, 2186.0], [833.7605, 90.0], [1088.4041, 16.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 66:0 sn1+sn2; 16:0_16:0-(5-O-18:0)_16:0 (LMPTD00000357)", "MOLECULEMASS": "1107.027", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "43", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1088.9932", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1107.027000", "SPLASH": "splash10-0udi-0000090000-f37af3883056c08fe167"}, "peaks": [[80.2143, 6.0], [81.0701, 25.0], [83.0856, 26.0], [85.1014, 11.0], [91.6337, 5.0], [95.0854, 34.0], [97.1014, 22.0], [104.4881, 5.0], [106.5637, 5.0], [109.101, 31.0], [111.117, 9.0], [121.1013, 24.0], [123.1172, 21.0], [125.1328, 15.0], [135.1173, 15.0], [137.1327, 16.0], [149.1323, 12.0], [151.1484, 16.0], [165.1639, 11.0], [178.6452, 6.0], [178.9944, 5.0], [181.0441, 6.0], [217.8873, 9.0], [221.2274, 10.0], [239.237, 191.0], [247.2417, 67.0], [257.2465, 6.0], [260.6561, 5.0], [265.252, 111.0], [265.2777, 9.0], [268.9915, 6.0], [283.2628, 34.0], [309.459, 6.0], [313.2736, 311.0], [367.2892, 11.0], [551.5037, 10000.0], [552.505, 17.0], [577.519, 2920.0], [833.7577, 68.0], [904.7026, 7.0], [975.613, 7.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 70:4; 16:0-(9-O-18:0)/18:2/18:2 (LMPTD00000360)", "MOLECULEMASS": "1155.028", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "44", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1136.9942", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1155.028000", "SPLASH": "splash10-0udj-0111079020-deff544792b78c29b892"}, "peaks": [[81.0698, 125.0], [83.0851, 71.0], [85.1006, 21.0], [93.0693, 38.0], [95.0854, 191.0], [97.0636, 25.0], [97.1006, 65.0], [99.0801, 31.0], [107.085, 31.0], [109.1012, 137.0], [111.08, 24.0], [111.1164, 34.0], [113.0957, 31.0], [119.0848, 25.0], [121.1009, 86.0], [123.1167, 82.0], [127.111, 17.0], [133.1004, 43.0], [135.1168, 111.0], [137.1319, 44.0], [141.126, 22.0], [147.1165, 32.0], [149.1322, 103.0], [150.1241, 60.0], [150.6358, 19.0], [151.1475, 59.0], [153.1261, 24.0], [159.1161, 18.0], [161.1316, 51.0], [163.1482, 94.0], [165.1627, 54.0], [175.1472, 57.0], [177.1631, 42.0], [179.1786, 24.0], [191.179, 24.0], [217.1954, 20.0], [217.917, 22.0], [221.2247, 18.0], [233.2259, 23.0], [235.2413, 28.0], [239.2362, 18.0], [243.2106, 118.0], [245.2261, 210.0], [247.2427, 80.0], [257.2475, 76.0], [261.2212, 300.0], [263.2367, 544.0], [265.2526, 250.0], [275.2338, 19.0], [289.2516, 25.0], [317.2495, 94.0], [319.2628, 189.0], [331.2642, 18.0], [335.2583, 35.0], [337.2346, 31.0], [337.2731, 351.0], [339.2893, 450.0], [341.1466, 17.0], [491.4078, 21.0], [507.457, 24.0], [515.4111, 23.0], [525.4659, 158.0], [527.481, 45.0], [543.4776, 136.0], [545.4902, 49.0], [559.4695, 33.0], [561.4884, 25.0], [573.4904, 26.0], [575.5037, 222.0], [577.5211, 145.0], [581.4965, 25.0], [597.4858, 30.0], [599.5034, 7637.0], [601.519, 10000.0], [603.536, 420.0], [615.5092, 37.0], [617.5124, 123.0], [627.5247, 26.0], [629.5518, 25.0], [631.4836, 24.0], [755.6211, 21.0], [769.6445, 46.0], [783.6846, 37.0], [797.6827, 28.0], [857.7573, 141.0], [863.7498, 303.0], [881.7587, 2190.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 70:4; 16:0-(7-O-18:0)/18:2/18:2 (LMPTD00000369)", "MOLECULEMASS": "1155.027", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "51", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1136.9932", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1155.027000", "SPLASH": "splash10-0f6t-0111097010-671f813a9c1c0cc208a9"}, "peaks": [[81.0699, 118.0], [83.0855, 60.0], [85.1014, 22.0], [93.0697, 37.0], [95.0854, 147.0], [97.1012, 56.0], [97.1184, 37.0], [99.0807, 19.0], [107.0855, 51.0], [109.1012, 117.0], [111.0803, 22.0], [111.1164, 27.0], [113.0954, 18.0], [119.0855, 22.0], [121.101, 135.0], [123.1166, 90.0], [123.5035, 15.0], [125.0957, 16.0], [133.1009, 34.0], [135.1167, 124.0], [137.1329, 35.0], [147.117, 37.0], [149.1326, 107.0], [150.1248, 63.0], [151.1477, 42.0], [155.1433, 16.0], [159.1168, 21.0], [161.1324, 46.0], [163.1478, 107.0], [165.1639, 56.0], [175.1484, 40.0], [177.1632, 38.0], [179.1793, 16.0], [189.1634, 28.0], [201.1655, 17.0], [203.1802, 20.0], [205.1954, 19.0], [208.2588, 17.0], [217.8709, 17.0], [243.2101, 95.0], [245.2259, 187.0], [245.3569, 17.0], [246.8162, 16.0], [247.2423, 128.0], [257.2475, 33.0], [261.2209, 250.0], [263.2366, 495.0], [265.2525, 347.0], [289.2521, 24.0], [317.2483, 48.0], [319.2636, 124.0], [335.2586, 38.0], [337.2734, 735.0], [339.2889, 321.0], [345.2738, 16.0], [509.4719, 31.0], [525.4676, 148.0], [527.4821, 65.0], [543.4801, 82.0], [575.5042, 212.0], [577.5186, 133.0], [581.4931, 38.0], [587.5066, 24.0], [595.5418, 16.0], [597.4929, 41.0], [599.5034, 10000.0], [601.5188, 8173.0], [603.5344, 260.0], [613.5137, 23.0], [615.504, 21.0], [617.5124, 200.0], [687.546, 23.0], [769.6558, 25.0], [783.6799, 28.0], [797.6951, 19.0], [857.7562, 210.0], [863.7501, 222.0], [881.7587, 1710.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 64:0; 16:0-(5-O-16:0)/16:0/16:0 (LMPTD00000356)", "MOLECULEMASS": "1078.996", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "53", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1060.9622", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1078.996000", "SPLASH": "splash10-0udi-0000090000-47b4b365e7a2b2abca28"}, "peaks": [[74.7288, 107.0], [97.118, 352.0], [118.8442, 114.0], [134.4204, 109.0], [177.6674, 121.0], [196.7997, 110.0], [217.4612, 231.0], [239.2376, 225.0], [279.2609, 114.0], [280.0478, 124.0], [292.1308, 112.0], [306.8968, 119.0], [313.2739, 326.0], [412.5573, 123.0], [536.322, 118.0], [549.4872, 2169.0], [551.5035, 10000.0], [916.3961, 138.0], [940.6796, 151.0], [979.6133, 141.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 64:0; 16:0-(9-O-16:0)/16:0/16:0 (LMPTD00000363)", "MOLECULEMASS": "1078.995", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "60", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1060.9612", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1078.995000", "SPLASH": "splash10-0f6t-0000090000-bbf6c486fa851e06b45c"}, "peaks": [[81.0698, 36.0], [82.1652, 13.0], [83.0854, 36.0], [95.0852, 33.0], [97.1009, 31.0], [109.101, 33.0], [121.1008, 22.0], [123.1165, 19.0], [135.1161, 22.0], [136.8679, 17.0], [137.1324, 28.0], [137.6208, 52.0], [145.3847, 12.0], [179.0685, 12.0], [179.0904, 11.0], [217.55, 27.0], [219.211, 36.0], [221.228, 18.0], [237.221, 114.0], [237.5714, 13.0], [239.2366, 170.0], [257.2473, 88.0], [289.5427, 14.0], [313.2732, 160.0], [376.4569, 16.0], [379.8479, 13.0], [543.509, 27.0], [545.5429, 14.0], [547.4792, 40.0], [549.4876, 10000.0], [550.4969, 16.0], [551.5032, 8289.0], [624.4036, 16.0], [730.6371, 16.0], [805.7261, 176.0], [884.5011, 16.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 66:1; 18:1-(7-O-16:0)/16:0/16:0 (LMPTD00000358)", "MOLECULEMASS": "1105.012", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "64", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1086.9782", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1105.012000", "SPLASH": "splash10-0udj-0000090000-724369be93716c0c4d7e"}, "peaks": [[81.0699, 36.0], [83.0852, 31.0], [95.0851, 33.0], [97.1013, 17.0], [97.1092, 40.0], [108.7005, 13.0], [109.1012, 31.0], [111.1167, 21.0], [117.6013, 12.0], [121.1007, 17.0], [123.1166, 33.0], [135.1171, 28.0], [137.1324, 22.0], [137.6215, 70.0], [149.1322, 17.0], [197.5601, 18.0], [217.6146, 24.0], [218.2301, 14.0], [219.2108, 44.0], [221.2248, 18.0], [237.2211, 162.0], [239.2364, 188.0], [245.8669, 11.0], [265.2513, 23.0], [294.7241, 13.0], [313.2732, 454.0], [342.1994, 15.0], [547.486, 18.0], [549.4876, 8175.0], [551.5032, 10000.0], [575.5046, 69.0], [577.5165, 158.0], [647.5217, 20.0], [805.7272, 27.0], [831.7426, 142.0], [1005.5273, 17.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 70:4; 18:2/16:0-(7-O-18:0)/18:2 (LMPTD00000367)", "MOLECULEMASS": "1155.027", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "66", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1136.9932", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1155.027000", "SPLASH": "splash10-0udj-0111069010-868ed1b4fe24b3fb90f2"}, "peaks": [[81.0698, 152.0], [83.0856, 66.0], [91.0537, 17.0], [93.0694, 38.0], [95.0854, 155.0], [97.0644, 18.0], [97.1012, 75.0], [97.1078, 20.0], [99.0799, 15.0], [107.0848, 36.0], [109.1009, 155.0], [111.0802, 28.0], [111.1163, 28.0], [113.0953, 21.0], [121.101, 162.0], [123.1165, 101.0], [125.132, 18.0], [125.8506, 13.0], [131.0854, 19.0], [133.1007, 25.0], [135.1165, 141.0], [137.0954, 16.0], [137.1323, 72.0], [147.1162, 49.0], [149.1327, 110.0], [150.124, 46.0], [150.635, 23.0], [151.1118, 18.0], [151.1481, 80.0], [153.1267, 17.0], [161.1317, 40.0], [163.1476, 90.0], [165.163, 61.0], [175.1473, 45.0], [177.1627, 41.0], [179.1781, 25.0], [180.4112, 19.0], [182.976, 14.0], [189.1627, 20.0], [191.1788, 22.0], [201.1619, 19.0], [217.885, 25.0], [221.2251, 22.0], [243.2103, 79.0], [244.8245, 14.0], [245.2261, 202.0], [247.2418, 250.0], [249.2562, 18.0], [257.2463, 25.0], [259.2401, 15.0], [261.2209, 192.0], [263.2364, 407.0], [265.2522, 553.0], [275.234, 20.0], [275.6755, 15.0], [289.2524, 19.0], [317.2497, 71.0], [319.2622, 126.0], [335.2588, 68.0], [337.2732, 727.0], [339.2892, 434.0], [354.6966, 15.0], [387.3586, 16.0], [477.3944, 18.0], [501.3975, 17.0], [505.4331, 16.0], [507.458, 19.0], [509.4694, 19.0], [525.4646, 152.0], [527.4813, 43.0], [543.4762, 127.0], [545.4926, 20.0], [575.5028, 196.0], [577.5156, 96.0], [585.483, 18.0], [597.484, 27.0], [599.503, 7223.0], [601.5186, 10000.0], [603.5354, 426.0], [605.5384, 18.0], [615.5028, 41.0], [617.5125, 299.0], [769.6391, 26.0], [783.6664, 41.0], [797.6857, 27.0], [857.7539, 135.0], [863.7474, 296.0], [881.758, 1846.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 66:1; 18:1-(16-O-16:0)/16:0/16:0 (LMPTD00000368)", "MOLECULEMASS": "1105.013", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "68", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1086.9792", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1105.013000", "SPLASH": "splash10-0f89-0000090070-7112388a265bc6a753cf"}, "peaks": [[81.0695, 80.0], [83.0851, 62.0], [83.6141, 33.0], [84.6139, 35.0], [95.0848, 99.0], [97.1008, 69.0], [109.1008, 106.0], [118.177, 33.0], [123.1167, 68.0], [128.5261, 32.0], [135.1162, 38.0], [137.1324, 50.0], [186.4248, 34.0], [186.7027, 38.0], [212.2099, 39.0], [217.6162, 86.0], [237.2189, 43.0], [239.236, 197.0], [247.2412, 64.0], [255.2308, 63.0], [258.243, 39.0], [265.2523, 279.0], [313.273, 56.0], [501.4659, 328.0], [519.4772, 902.0], [549.489, 314.0], [551.5034, 9451.0], [570.2619, 43.0], [575.4983, 180.0], [577.5186, 145.0], [831.7428, 10000.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 68:1; 18:1-(7-O-18:0)/16:0/16:0 (LMPTD00000364)", "MOLECULEMASS": "1133.043", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "72", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1115.0092", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1133.043000", "SPLASH": "splash10-0ufr-0000090000-d2a69c24535bd2e10aaf"}, "peaks": [[81.0699, 32.0], [85.4333, 23.0], [95.0854, 56.0], [97.1186, 59.0], [109.4449, 22.0], [123.1168, 30.0], [134.8624, 28.0], [137.1328, 43.0], [141.0693, 113.0], [149.1325, 31.0], [179.0818, 30.0], [194.0409, 26.0], [217.7781, 38.0], [239.2361, 193.0], [247.2407, 61.0], [265.252, 233.0], [283.594, 27.0], [313.2731, 446.0], [527.2072, 80.0], [551.5033, 10000.0], [577.5187, 8183.0], [603.5356, 85.0], [605.4176, 46.0], [797.5225, 31.0], [833.7639, 46.0], [859.7731, 152.0], [863.8882, 36.0]]}, {"metadata": {"FILENAME": "pd_lipids_all_260202_sec_updated_simplified.mzXML", "SEQ": "*..*", "COMPOUND_NAME": "TAG EST 68:1; 18:1-(10-O-18:0)/16:0/16:0 (LMPTD00000366)", "MOLECULEMASS": "1133.043", "INSTRUMENT": "Orbitrap", "IONSOURCE": "ESI", "EXTRACTSCAN": "98", "CHARGE": "1", "IONMODE": "Positive", "EXACTMASS": "1115.0092", "DATACOLLECTOR": "LIPID MAPS", "ADDUCT": "[M+NH3+H]+", "LIBQUALITY": "4", "PI": "Laboratory of Metabolism of Bioactive Lipids", "MSLEVEL": "2", "PEPMASS": "1133.043000", "SPLASH": "splash10-0fb9-0000090000-e941ad15aa42173b1bd4"}, "peaks": [[81.0699, 23.0], [83.0856, 34.0], [85.1013, 22.0], [89.8105, 6.0], [92.6884, 8.0], [93.0701, 8.0], [95.0854, 57.0], [97.1013, 28.0], [97.1173, 31.0], [103.4078, 7.0], [109.1011, 50.0], [111.1169, 16.0], [121.1012, 16.0], [123.1169, 36.0], [125.133, 12.0], [135.1166, 13.0], [137.1325, 12.0], [141.0691, 19.0], [147.8083, 7.0], [149.1325, 10.0], [151.1483, 16.0], [151.3519, 18.0], [163.1479, 10.0], [165.1642, 11.0], [217.8273, 13.0], [221.2268, 15.0], [239.2367, 178.0], [247.2412, 39.0], [265.2524, 164.0], [283.2653, 9.0], [313.2734, 114.0], [339.2886, 11.0], [379.4315, 8.0], [404.0672, 8.0], [551.5035, 7775.0], [577.5189, 10000.0], [578.5188, 12.0], [603.535, 110.0], [605.4055, 9.0], [667.6381, 11.0], [802.7089, 9.0], [833.759, 57.0], [859.7731, 120.0]]}]