MassBank Record: UO000025



 2,3-di-O-Sesterterpanyl-sn-glycerol; FAB-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: UO000025
RECORD_TITLE: 2,3-di-O-Sesterterpanyl-sn-glycerol; FAB-B; MS
DATE: 2016.01.19 (2009.06.19, 2011.05.06)
AUTHORS: , Hiroyuki Morii, Department of Environmental Management, and Chemistry, University of Occupational and Environmental Health
LICENSE: CC BY-SA
PUBLICATION: Morii, H., Yagi, H., Akutsu, H., Nomura, N., Sako, Y., and Koga, Y. 1999 A novel phosphoglycolipid archaetidyl(glucosyl)inositol with two sesterterpanyl chains from the aerobic hyperthermophilic archaeon Aeropyrum pernix K1 Biochim Biophys Acta. 1436 : 426-436

CH$NAME: 2,3-di-O-Sesterterpanyl-sn-glycerol CH$NAME: C25,C25-archaeol CH$COMPOUND_CLASS: Glycerolipids; Diradylglycerols; Dialkylglycerols CH$FORMULA: C53H108O3 CH$EXACT_MASS: 792.82985 CH$SMILES: C(CC(CCCC(C)CCCC(C)CCOCC(CO)OCCC(C)CCCC(C)CCCC(C)CCCC(CCCC(C)C)C)C)CC(C)CCCC(C)C CH$IUPAC: InChI=1S/C53H108O3/c1-43(2)21-13-23-45(5)25-15-27-47(7)29-17-31-49(9)33-19-35-51(11)37-39-55-42-53(41-54)56-40-38-52(12)36-20-34-50(10)32-18-30-48(8)28-16-26-46(6)24-14-22-44(3)4/h43-54H,13-42H2,1-12H3 CH$LINK: LIPIDBANK EEL3003 CH$LINK: INCHIKEY XKYNJPDAIQTJIU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:86094160
AC$INSTRUMENT: JEOL JMS DX-303 AC$INSTRUMENT_TYPE: FAB-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION FAB AC$MASS_SPECTROMETRY: MATRIX glycerol
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-1009522421-123b8d52771685e7df0b PK$NUM_PEAK: 659 PK$PEAK: m/z int. rel.int. 299.0 80 80 300.0 97 97 300.4 66 66 301.3 62 62 302.0 58 58 303.7 85 85 304.5 46 46 305.5 59 59 306.5 56 56 308.0 69 69 308.5 159 159 310.0 108 108 311.0 68 68 312.0 119 119 313.0 136 136 314.0 88 88 316.0 457 457 317.0 62 62 318.0 94 94 319.0 51 51 320.0 61 61 321.5 49 49 323.0 43 43 323.5 75 75 325.0 56 56 325.8 94 94 328.0 61 61 329.0 46 46 330.0 84 84 331.0 60 60 332.0 102 102 334.0 81 81 335.0 39 39 336.0 70 70 337.0 76 76 339.0 50 50 340.0 71 71 340.8 71 71 341.0 62 62 342.0 55 55 343.0 159 159 344.5 59 59 346.0 48 48 347.3 76 76 349.0 40 40 350.0 60 60 351.0 48 48 352.0 65 65 353.0 37 37 354.0 74 74 355.0 44 44 356.0 51 51 358.0 51 51 359.0 57 57 361.0 57 57 362.0 59 59 363.0 46 46 364.2 65 65 364.8 44 44 366.3 77 77 367.5 58 58 368.5 98 98 368.8 119 119 370.3 93 93 371.5 62 62 372.0 50 50 373.0 52 52 374.0 71 71 375.0 54 54 376.5 77 77 378.0 66 66 379.0 37 37 380.0 59 59 382.0 57 57 383.0 42 42 384.0 64 64 385.0 45 45 386.0 49 49 389.0 54 54 390.5 160 160 391.2 86 86 392.3 71 71 393.0 38 38 395.0 52 52 396.3 72 72 397.5 40 40 398.6 80 80 399.0 53 53 400.8 53 53 402.0 51 51 402.9 56 56 404.7 63 63 405.9 57 57 407.1 68 68 407.7 38 38 409.4 60 60 410.7 58 58 411.4 35 35 413.0 78 78 414.0 59 59 415.3 41 41 416.7 47 47 419.3 50 50 421.0 73 73 422.8 72 72 425.1 62 62 426.4 47 47 428.9 51 51 431.1 57 57 433.0 40 40 434.7 45 45 437.2 43 43 439.2 51 51 441.2 56 56 443.0 290 290 444.1 99 99 445.8 31 31 447.1 58 58 448.9 41 41 450.0 29 29 451.3 51 51 452.3 47 47 453.6 31 31 455.1 55 55 456.9 58 58 457.6 39 39 459.0 40 40 461.0 37 37 462.7 56 56 463.2 31 31 464.8 90 90 467.0 49 49 468.3 39 39 470.1 61 61 470.8 47 47 472.9 61 61 475.3 30 30 477.3 39 39 478.4 64 64 481.2 46 46 483.0 51 51 484.7 41 41 487.0 65 65 489.0 51 51 490.8 36 36 493.3 48 48 495.0 49 49 497.0 49 49 497.9 44 44 499.1 36 36 501.1 50 50 502.9 47 47 505.2 33 33 507.0 38 38 509.0 68 68 511.4 42 42 513.2 40 40 515.0 47 47 517.2 53 53 519.1 55 55 521.1 51 51 523.0 69 69 525.1 42 42 526.4 34 34 527.9 28 28 529.2 34 34 530.7 64 64 532.9 49 49 535.0 37 37 537.4 54 54 539.5 37 37 541.3 36 36 543.1 34 34 545.1 47 47 546.5 42 42 549.1 43 43 551.2 61 61 552.6 39 39 555.0 37 37 557.0 31 31 558.4 34 34 561.1 38 38 562.5 28 28 564.6 41 41 566.9 37 37 568.9 35 35 570.7 31 31 573.0 32 32 574.8 44 44 576.3 32 32 579.1 32 32 581.1 24 24 582.9 36 36 585.3 31 31 587.1 31 31 588.9 41 41 591.2 42 42 594.9 43 43 597.2 47 47 599.5 22 22 601.0 31 31 603.1 35 35 605.1 41 41 605.7 29 29 607.0 47 47 609.0 39 39 610.0 27 27 610.9 32 32 612.7 30 30 614.9 27 27 616.8 24 24 617.8 14 14 619.0 34 34 620.0 8 8 621.1 31 31 622.9 27 27 624.5 27 27 626.0 23 23 627.1 24 24 628.9 26 26 630.7 40 40 633.0 27 27 635.0 24 24 636.6 34 34 640.5 29 29 642.6 20 20 644.9 25 25 646.7 25 25 648.5 27 27 650.8 32 32 652.4 32 32 654.0 24 24 656.0 22 22 657.5 24 24 658.9 28 28 661.1 31 31 662.7 39 39 664.0 19 19 666.2 27 27 667.7 22 22 669.2 22 22 671.2 29 29 673.0 31 31 674.4 28 28 675.5 21 21 678.0 25 25 679.5 35 35 681.6 34 34 683.0 29 29 684.6 27 27 686.5 21 21 688.2 23 23 691.7 20 20 693.2 34 34 694.6 25 25 696.7 19 19 698.9 27 27 701.8 19 19 703.4 29 29 704.9 26 26 706.9 23 23 708.5 28 28 710.2 21 21 711.9 22 22 713.7 22 22 715.1 22 22 717.0 26 26 718.7 20 20 720.0 28 28 722.3 20 20 723.7 27 27 725.4 19 19 727.5 27 27 729.0 19 19 730.4 22 22 732.0 16 16 733.0 17 17 734.3 28 28 735.9 17 17 738.0 24 24 740.0 16 16 742.0 19 19 744.0 29 29 748.0 22 22 749.3 19 19 751.7 20 20 754.7 22 22 756.8 16 16 759.4 25 25 761.1 19 19 762.6 20 20 764.9 30 30 767.1 24 24 770.3 37 37 773.7 23 23 775.0 19 19 778.0 15 15 780.3 29 29 782.9 20 20 785.5 35 35 791.0 102 102 792.0 90 90 793.0 999 999 794.0 590 590 795.0 176 176 796.0 53 53 796.7 26 26 798.5 36 36 799.8 19 19 802.6 25 25 804.6 22 22 806.9 25 25 808.9 31 31 810.6 33 33 813.2 107 107 815.3 436 436 816.8 107 107 818.0 30 30 820.8 22 22 822.3 28 28 826.7 39 39 828.5 28 28 829.5 23 23 830.7 43 43 832.8 25 25 834.3 27 27 836.8 22 22 838.8 16 16 840.6 23 23 842.7 22 22 844.7 32 32 846.5 25 25 848.8 22 22 850.8 29 29 852.6 34 34 854.8 26 26 856.6 22 22 859.4 21 21 860.7 20 20 862.7 20 20 864.2 26 26 866.8 37 37 868.5 30 30 870.4 23 23 872.2 26 26 874.6 31 31 875.7 25 25 877.4 15 15 880.5 31 31 883.0 55 55 884.1 35 35 886.6 21 21 888.4 42 42 892.2 19 19 894.2 21 21 896.0 28 28 898.5 23 23 900.3 38 38 902.1 26 26 904.2 53 53 905.5 31 31 907.1 22 22 909.5 13 13 911.0 13 13 912.2 25 25 914.0 15 15 916.3 16 16 919.1 20 20 921.2 16 16 922.9 15 15 924.7 17 17 928.3 15 15 929.2 10 10 930.3 21 21 932.0 11 11 934.3 14 14 936.2 11 11 938.2 16 16 940.4 24 24 942.0 16 16 944.2 22 22 946.5 16 16 949.3 16 16 951.0 11 11 952.4 15 15 954.2 18 18 956.2 18 18 958.5 18 18 960.5 17 17 962.3 22 22 964.8 16 16 966.0 13 13 968.4 15 15 970.7 15 15 971.4 10 10 974.2 17 17 977.0 24 24 978.5 20 20 980.3 19 19 982.6 9 9 984.2 20 20 986.1 17 17 988.4 23 23 990.7 16 16 992.0 26 26 994.3 18 18 996.3 18 18 998.3 19 19 1000.2 15 15 1002.4 16 16 1004.0 16 16 1006.5 20 20 1007.5 9 9 1010.6 10 10 1012.3 22 22 1014.4 14 14 1017.2 18 18 1019.0 27 27 1020.4 23 23 1021.5 17 17 1023.3 17 17 1024.5 16 16 1026.6 17 17 1028.3 17 17 1030.6 17 17 1033.4 27 27 1034.4 18 18 1036.9 21 21 1038.4 21 21 1041.0 18 18 1043.3 18 18 1045.4 16 16 1047.1 16 16 1048.4 16 16 1050.4 20 20 1052.0 13 13 1054.5 16 16 1056.0 15 15 1057.3 15 15 1058.3 10 10 1060.5 16 16 1063.4 19 19 1064.5 11 11 1068.4 17 17 1070.2 13 13 1074.3 13 13 1076.1 18 18 1078.8 12 12 1079.6 11 11 1080.6 18 18 1082.2 14 14 1085.4 19 19 1086.7 10 10 1088.5 22 22 1092.6 16 16 1094.4 15 15 1095.4 11 11 1096.7 13 13 1098.0 11 11 1100.5 16 16 1102.8 18 18 1104.5 14 14 1106.6 13 13 1110.8 15 15 1113.4 13 13 1114.9 14 14 1115.9 11 11 1119.5 13 13 1120.8 12 12 1122.6 13 13 1124.3 13 13 1126.8 17 17 1130.4 12 12 1132.9 11 11 1134.5 14 14 1137.3 12 12 1138.8 14 14 1140.8 18 18 1143.4 10 10 1144.7 15 15 1147.5 16 16 1151.8 13 13 1154.6 17 17 1157.8 17 17 1160.4 14 14 1162.0 14 14 1164.5 15 15 1167.3 14 14 1169.0 25 25 1170.6 24 24 1172.6 12 12 1175.8 8 8 1176.7 15 15 1178.4 10 10 1180.9 16 16 1182.5 13 13 1184.5 13 13 1186.8 13 13 1188.6 14 14 1189.6 10 10 1191.4 7 7 1192.9 17 17 1194.7 11 11 1197.2 12 12 1198.5 14 14 1199.7 17 17 1202.2 15 15 1205.3 12 12 1206.9 12 12 1209.1 11 11 1210.1 12 12 1211.5 19 19 1214.1 12 12 1217.8 12 12 1219.0 20 20 1220.0 12 12 1226.1 13 13 1227.1 11 11 1229.9 7 7 1232.1 11 11 1234.5 3 3 1235.8 8 8 1237.0 12 12 1239.2 11 11 1241.4 8 8 1246.7 11 11 1249.1 8 8 1252.5 10 10 1256.0 10 10 1258.6 16 16 1260.0 11 11 1260.7 8 8 1262.3 13 13 1264.1 10 10 1265.6 8 8 1267.0 11 11 1269.3 11 11 1271.8 9 9 1273.8 10 10 1275.5 15 15 1277.5 8 8 1278.8 9 9 1281.6 15 15 1284.1 7 7 1285.4 11 11 1288.7 9 9 1291.1 8 8 1293.5 9 9 1296.6 13 13 1298.5 9 9 1300.8 9 9 1303.1 7 7 1306.4 10 10 1307.7 9 9 1310.0 9 9 1311.8 9 9 1314.6 10 10 1315.9 8 8 1318.6 9 9 1321.9 9 9 1323.8 12 12 1325.6 8 8 1328.1 8 8 1330.0 16 16 1331.5 11 11 1334.7 8 8 1336.5 12 12 1338.3 6 6 1339.8 11 11 1342.7 11 11 1343.7 4 4 1346.8 7 7 1347.8 10 10 1348.8 6 6 1350.6 8 8 1351.8 14 14 1353.7 11 11 1354.9 9 9 1356.7 8 8 1358.0 9 9 1360.8 11 11 1361.6 7 7 1363.9 10 10 1365.9 10 10 1368.7 9 9 1370.0 10 10 1372.0 12 12 1373.6 10 10 1375.9 13 13 1377.7 9 9 1378.9 9 9 1379.8 8 8 1382.0 8 8 1384.0 10 10 1385.8 9 9 1388.9 12 12 1390.9 9 9 1392.5 8 8 1395.8 13 13 1397.6 6 6 1400.0 15 15 1401.0 9 9 1404.7 10 10 1406.8 11 11 1407.9 11 11 1408.8 9 9 1410.4 7 7 1411.9 10 10 1413.7 8 8 1416.6 11 11 1418.1 6 6 1420.6 14 14 1422.6 7 7 1425.0 11 11 1426.7 5 5 1428.5 9 9 1430.8 7 7 1431.9 7 7 1432.7 9 9 1433.6 9 9 1438.0 8 8 1440.8 10 10 1443.1 8 8 1443.9 12 12 1444.9 9 9 1448.2 7 7 1449.0 7 7 1450.0 7 7 1450.8 7 7 1451.6 7 7 1455.0 7 7 1457.7 7 7 1459.9 7 7 1461.9 8 8 1463.7 11 11 1464.7 9 9 1466.1 8 8 1468.7 8 8 1470.7 6 6 1472.0 8 8 1473.0 9 9 1474.8 8 8 1475.7 7 7 1476.9 7 7 1479.2 9 9 1480.0 10 10 1480.9 7 7 1481.9 7 7 1482.7 5 5 1484.0 9 9 1486.0 10 10 1487.9 8 8 1489.9 8 8 1491.9 7 7 1492.8 7 7 1494.6 7 7 1496.1 7 7 1497.1 9 9 1498.0 6 6 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)