MassBank Record: UO000012

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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: UO000012
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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION FAB AC$MASS_SPECTROMETRY: MATRIX m-nitrobenzyl alcohol
MS$FOCUSED_ION: ION_TYPE [M+Na]+
PK$SPLASH: splash10-08i9-0000002930-bdf025fdd516b5afe483 PK$NUM_PEAK: 270 PK$PEAK: m/z int. rel.int. 636.0 65 65 637.1 113 113 638.2 43 43 639.1 120 120 640.0 49 49 641.0 131 131 642.0 129 129 644.0 60 60 645.0 111 111 645.9 106 106 647.9 80 80 649.0 52 52 649.9 33 33 650.9 91 91 651.9 63 63 653.0 74 74 654.0 37 37 654.9 103 103 656.0 47 47 656.9 117 117 657.9 80 80 659.0 226 226 659.9 139 139 660.9 49 49 662.0 77 77 663.0 36 36 664.0 90 90 665.0 70 70 666.0 87 87 667.1 11 11 668.0 113 113 669.0 72 72 669.9 108 108 671.0 74 74 672.0 45 45 672.9 83 83 674.0 97 97 674.9 112 112 675.9 73 73 677.0 118 118 678.0 89 89 679.1 28 28 680.0 92 92 681.0 40 40 682.0 40 40 683.0 43 43 684.0 79 79 685.1 64 64 686.0 120 120 687.0 45 45 688.0 46 46 689.0 50 50 689.9 51 51 691.0 180 180 692.9 151 151 693.9 69 69 695.0 63 63 695.9 82 82 697.0 57 57 698.0 62 62 698.9 38 38 699.9 27 27 701.0 87 87 701.9 104 104 703.1 48 48 703.9 96 96 705.1 89 89 706.1 26 26 706.9 101 101 708.0 97 97 709.0 95 95 710.0 107 107 710.9 47 47 712.0 31 31 712.9 70 70 714.0 113 113 714.9 61 61 716.0 90 90 716.9 72 72 719.0 104 104 719.9 26 26 721.0 105 105 722.0 56 56 723.0 96 96 724.0 52 52 724.9 57 57 726.0 33 33 726.9 94 94 727.9 95 95 728.9 84 84 729.8 91 91 730.9 37 37 732.0 43 43 732.8 85 85 733.9 36 36 734.9 100 100 736.0 57 57 736.9 246 246 738.0 140 140 739.0 999 999 739.9 744 744 741.1 122 122 742.0 87 87 742.9 84 84 745.0 116 116 745.9 107 107 747.1 41 41 748.0 101 101 749.0 63 63 749.9 47 47 750.9 119 119 751.8 93 93 753.0 179 179 753.9 140 140 754.8 237 237 756.0 162 162 757.0 588 588 757.8 326 326 758.9 388 388 759.9 241 241 761.0 999 999 762.0 881 881 762.9 131 131 764.0 66 66 765.0 112 112 765.9 89 89 767.0 34 34 767.9 97 97 768.8 131 131 769.9 46 46 770.9 391 391 771.8 257 257 773.0 184 184 773.9 80 80 774.9 269 269 775.9 175 175 776.9 338 338 777.9 125 125 779.0 657 657 779.9 300 300 780.9 86 86 782.0 52 52 782.9 147 147 783.9 43 43 784.9 123 123 786.0 41 41 786.8 120 120 787.9 26 26 788.9 141 141 789.9 111 111 790.9 206 206 793.0 564 564 793.8 319 319 794.9 127 127 796.9 119 119 797.9 110 110 798.8 200 200 800.0 120 120 800.9 124 124 801.8 82 82 803.0 75 75 803.9 103 103 804.9 50 50 806.0 129 129 806.9 95 95 808.0 73 73 809.0 114 114 810.0 55 55 811.0 142 142 811.9 94 94 812.9 78 78 813.9 91 91 814.9 57 57 815.8 81 81 817.0 99 99 818.0 43 43 818.9 48 48 819.9 38 38 820.9 137 137 821.9 46 46 822.9 74 74 823.9 80 80 826.0 103 103 826.9 77 77 827.9 75 75 829.0 36 36 829.9 44 44 830.9 90 90 832.0 84 84 833.0 67 67 833.9 60 60 835.0 62 62 835.9 74 74 836.9 48 48 838.0 60 60 839.0 79 79 839.9 71 71 840.9 79 79 842.0 66 66 842.9 32 32 844.0 80 80 845.0 51 51 845.9 40 40 847.0 89 89 847.9 38 38 849.0 32 32 850.0 28 28 850.9 78 78 851.9 79 79 853.0 48 48 853.9 92 92 855.0 38 38 856.0 86 86 857.0 115 115 858.1 63 63 859.0 48 48 859.9 71 71 861.1 65 65 862.0 35 35 863.0 194 194 863.9 110 110 865.0 38 38 866.0 64 64 867.1 29 29 868.0 64 64 868.9 41 41 870.0 46 46 871.0 41 41 872.0 65 65 873.0 35 35 873.9 102 102 875.0 108 108 876.9 80 80 877.9 65 65 879.0 69 69 879.9 33 33 880.9 75 75 881.9 70 70 882.9 47 47 884.0 66 66 885.0 50 50 885.9 72 72 886.9 28 28 888.0 60 60 889.0 89 89 890.0 57 57 891.0 43 43 891.9 62 62 893.0 62 62 894.0 27 27 894.9 65 65 896.0 33 33 896.9 88 88 897.9 77 77 899.0 64 64 899.9 82 82 900.9 42 42 902.0 24 24 903.0 65 65 904.0 82 82 904.9 32 32 905.9 79 79 907.0 54 54 907.9 77 77 909.0 43 43 909.9 54 54 911.1 58 58 911.9 79 79 913.0 85 85 914.0 89 89 //