MassBank Record: UO000010

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2,3-di-O-Geranylgeranyl-sn-glycerol-1-phosphate; FAB-B; MS
Mass Spectrum
Chemical Structure
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ACCESSION: UO000010
RECORD_TITLE: 2,3-di-O-Geranylgeranyl-sn-glycerol-1-phosphate; FAB-B; MS
DATE: 2016.01.19 (2009.06.03, 2011.05.06)
AUTHORS: Hiroyuki Morii, Department of Environmental Management, School of Health Sciences, University of Occupational and Environmental Health
LICENSE: CC BY-SA
PUBLICATION: Morii, H.,Nishihara, M. and Koga, Y. 2000. CTP:2,3-di-O-geranylgeranyl-sn-glycero-1-phosphate cytidyltransferase in the Methanogenic Archaeon Methanothermobacter thermoautotrophicus. J Biol Chem. 275 : 36568-36574

CH$NAME: 2,3-di-O-Geranylgeranyl-sn-glycerol-1-phosphate CH$NAME: 2,3-di-O-(3',7',11',15'-tetramethylhexadec-2',6',10',14'-tetraenyl)-sn-glycerol-1-phosphate CH$NAME: unsaturated archaetidic acid CH$COMPOUND_CLASS: Glycerophospholipids; Glycerophosphates CH$FORMULA: C43H73O6P CH$EXACT_MASS: 716.51448 CH$SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COC[C@H](COP(=O)(O)O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C CH$IUPAC: InChI=1S/C43H73O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h17-18,21-22,25-26,29-30,43H,11-16,19-20,23-24,27-28,31-34H2,1-10H3,(H2,44,45,46)/b37-21+,38-22+,39-25+,40-26+,41-29+,42-30+/t43-/m1/s1 CH$LINK: CAS 124535-43-9 CH$LINK: LIPIDBANK EEL0202 CH$LINK: NIKKAJI J1.283.068H CH$LINK: INCHIKEY WHMXLRRVANEOOG-RWKMEJASSA-N CH$LINK: PUBCHEM CID:134775829
AC$INSTRUMENT: JEOL JMS DX-303 AC$INSTRUMENT_TYPE: FAB-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION FAB AC$MASS_SPECTROMETRY: MATRIX m-nitrobenzyl alcohol
MS$FOCUSED_ION: ION_TYPE [M-H]-
PK$SPLASH: splash10-00kb-0000013910-e4098c72d14e476f206d PK$NUM_PEAK: 295 PK$PEAK: m/z int. rel.int. 553.0 44 44 554.0 21 21 555.0 35 35 556.1 23 23 557.0 29 29 558.0 27 27 559.0 41 41 560.0 31 31 560.9 23 23 562.0 36 36 563.0 36 36 563.9 37 37 564.9 37 37 566.0 28 28 566.9 15 15 567.8 22 22 568.9 24 24 569.9 27 27 570.0 27 27 571.0 24 24 571.9 21 21 572.9 25 25 573.9 20 20 574.8 25 25 575.9 34 34 577.0 59 59 577.9 47 47 579.0 40 40 579.9 32 32 581.0 36 36 582.0 36 36 582.9 29 29 583.9 23 23 584.9 20 20 585.0 20 20 586.0 17 17 586.8 21 21 588.0 23 23 588.8 24 24 589.9 41 41 590.8 46 46 592.0 84 84 592.9 60 60 593.8 57 57 594.8 58 58 595.9 39 39 597.0 43 43 598.0 25 25 598.9 25 25 600.0 20 20 601.0 23 23 602.0 19 19 603.0 21 21 604.0 29 29 605.0 36 36 606.0 30 30 606.9 37 37 608.0 46 46 608.9 78 78 609.8 140 140 610.9 254 254 612.0 435 435 613.0 190 190 613.8 70 70 614.9 32 32 615.9 20 20 617.0 26 26 617.9 22 22 619.0 23 23 620.0 23 23 621.0 35 35 622.0 31 31 622.9 37 37 624.0 47 47 625.0 37 37 626.0 31 31 627.0 43 43 627.9 45 45 629.0 32 32 630.0 27 27 630.8 38 38 631.9 31 31 632.9 21 21 634.0 19 19 635.0 28 28 635.8 26 26 637.0 27 27 638.0 31 31 638.9 29 29 639.9 37 37 640.9 30 30 642.0 28 28 643.0 34 34 644.0 22 22 645.0 43 43 646.1 38 38 647.0 47 47 647.9 36 36 649.0 38 38 649.9 27 27 650.0 28 28 651.0 23 23 651.9 21 21 652.0 21 21 653.0 31 31 654.0 26 26 654.9 27 27 656.0 27 27 657.0 20 20 657.9 40 40 659.0 37 37 660.0 64 64 661.0 41 41 663.0 59 59 663.9 29 29 665.0 34 34 666.0 25 25 668.0 28 28 670.0 39 39 671.0 31 31 672.0 23 23 673.0 19 19 673.9 25 25 674.9 35 35 675.9 27 27 677.0 40 40 678.0 39 39 678.9 28 28 680.0 29 29 681.0 40 40 681.9 24 24 682.9 21 21 683.9 22 22 685.0 24 24 685.9 23 23 688.0 22 22 689.0 41 41 689.9 35 35 690.9 32 32 691.9 34 34 692.9 29 29 694.0 45 45 695.0 28 28 696.0 34 34 697.0 31 31 698.0 25 25 698.9 35 35 699.9 22 22 700.9 31 31 701.9 28 28 702.9 17 17 704.0 30 30 704.9 27 27 705.9 27 27 707.0 39 39 708.0 23 23 708.9 26 26 709.9 29 29 711.0 37 37 712.0 19 19 713.0 82 82 714.0 81 81 715.0 867 867 716.0 456 456 716.9 155 155 718.0 99 99 719.0 51 51 720.0 38 38 720.9 29 29 721.8 30 30 723.0 29 29 723.9 24 24 724.9 21 21 725.9 23 23 726.9 21 21 728.0 27 27 729.0 25 25 729.9 77 77 731.0 175 175 732.0 128 128 733.0 40 40 734.0 675 675 735.1 191 191 736.0 65 65 737.0 39 39 738.1 21 21 739.0 30 30 740.0 45 45 741.0 23 23 742.0 27 27 743.1 50 50 744.0 63 63 745.0 117 117 746.0 118 118 747.0 999 999 748.0 499 499 749.0 271 271 750.1 95 95 751.0 41 41 752.0 181 181 753.0 69 69 754.0 33 33 755.1 35 35 756.0 31 31 757.0 25 25 758.0 24 24 759.0 32 32 760.1 65 65 761.1 71 71 762.1 35 35 763.2 177 177 764.1 133 133 765.1 64 64 766.0 382 382 767.2 231 231 768.1 44 44 769.2 51 51 770.2 49 49 771.2 32 32 772.1 19 19 773.0 23 23 774.1 21 21 775.0 35 35 776.0 26 26 777.1 63 63 778.1 54 54 779.0 378 378 780.2 190 190 781.1 154 154 782.0 101 101 784.0 117 117 785.1 45 45 786.0 41 41 787.0 24 24 788.0 24 24 789.0 31 31 790.0 24 24 791.0 21 21 792.1 50 50 793.0 39 39 794.1 31 31 795.1 76 76 796.1 53 53 797.1 38 38 798.1 114 114 799.0 58 58 800.1 54 54 801.0 32 32 802.0 23 23 803.0 29 29 804.0 33 33 805.0 24 24 806.0 34 34 807.0 32 32 808.0 39 39 808.9 24 24 810.1 36 36 811.0 56 56 812.0 73 73 812.9 48 48 814.1 42 42 815.0 40 40 816.0 35 35 817.0 30 30 818.0 48 48 819.0 23 23 820.0 36 36 821.0 31 31 822.0 44 44 823.0 25 25 825.0 34 34 826.0 33 33 827.0 39 39 828.1 29 29 829.0 27 27 830.1 37 37 831.1 31 31 832.0 32 32 833.1 35 35 834.1 34 34 835.1 36 36 836.0 29 29 837.1 33 33 838.1 42 42 839.1 44 44 840.0 57 57 841.0 26 26 842.0 28 28 843.0 42 42 844.1 42 42 845.0 17 17 845.9 31 31 847.0 24 24 848.0 23 23 849.0 31 31 //