MassBank Record: UO000009

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(R)-2,3-di-O-geranylgeranylglycerol; FAB-B; MS
Mass Spectrum
Chemical Structure
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ACCESSION: UO000009
RECORD_TITLE: (R)-2,3-di-O-geranylgeranylglycerol; 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$NAME: (R)-2,3-di-O-geranylgeranylglycerol CH$NAME: 2,3-di-O-geranylgeranyl-sn-glycerol CH$NAME: 2,3-di-O-(3',7',11',15'-tetramethyl-2',6',10',14'-tetraenyl)-sn-glycerol CH$NAME: unsaturated archaeol CH$COMPOUND_CLASS: Glycerolipids; Diradylglycerols CH$FORMULA: C43H72O3 CH$EXACT_MASS: 636.54815 CH$SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COC[C@@H](CO)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C CH$IUPAC: InChI=1S/C43H72O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h17-18,21-22,25-26,29-30,43-44H,11-16,19-20,23-24,27-28,31-34H2,1-10H3/b37-21+,38-22+,39-25+,40-26+,41-29+,42-30+/t43-/m1/s1 CH$LINK: CAS 153971-42-7 CH$LINK: LIPIDBANK EEL0216 CH$LINK: INCHIKEY XMJTYEFKPRULHO-RWKMEJASSA-N CH$LINK: PUBCHEM CID:14556937
AC$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+H]+
PK$SPLASH: splash10-06re-0000089000-ce572f77ee2d9bb09c3f PK$NUM_PEAK: 156 PK$PEAK: m/z int. rel.int. 512.0 139 139 513.0 130 130 514.1 131 131 515.0 104 104 516.0 116 116 517.0 130 130 517.9 130 130 518.9 108 108 519.9 89 89 521.0 346 346 521.9 156 156 523.0 169 169 523.9 89 89 525.0 78 78 526.0 85 85 526.9 97 97 527.9 92 92 529.0 123 123 530.0 97 97 530.9 136 136 532.9 54 54 533.9 101 101 534.9 116 116 536.0 100 100 537.0 103 103 537.9 82 82 538.9 159 159 540.0 83 83 541.0 217 217 542.0 152 152 543.0 999 999 544.0 579 579 545.0 999 999 545.9 999 999 547.0 322 322 549.0 82 82 551.0 107 107 552.0 100 100 553.0 87 87 554.0 115 115 555.0 99 99 557.0 137 137 557.9 63 63 559.0 110 110 560.0 108 108 561.0 88 88 562.9 109 109 564.9 129 129 565.9 91 91 566.9 112 112 568.0 88 88 569.0 67 67 570.0 69 69 572.0 59 59 574.1 62 62 574.9 88 88 576.0 69 69 578.0 98 98 579.0 98 98 580.0 87 87 582.0 70 70 582.9 52 52 584.0 54 54 585.0 50 50 585.9 61 61 586.9 79 79 588.0 61 61 589.0 209 209 589.9 168 168 590.9 129 129 593.0 64 64 594.0 64 64 595.0 69 69 596.0 81 81 596.9 84 84 598.9 97 97 599.9 62 62 602.0 65 65 602.9 65 65 604.9 95 95 607.0 97 97 608.0 55 55 609.0 93 93 612.0 71 71 612.9 72 72 614.0 80 80 616.0 73 73 617.0 72 72 618.0 71 71 619.0 115 115 620.0 125 125 621.0 86 86 621.9 63 63 624.0 55 55 625.0 74 74 627.0 64 64 629.0 67 67 631.0 98 98 632.0 135 135 633.0 375 375 633.9 284 284 635.0 681 681 635.9 383 383 637.0 297 297 638.0 166 166 640.0 56 56 641.0 67 67 642.0 57 57 643.0 72 72 644.0 77 77 645.0 91 91 646.0 98 98 647.0 106 106 648.0 119 119 649.0 121 121 650.0 223 223 651.0 107 107 651.9 162 162 653.0 56 56 654.0 77 77 655.0 77 77 656.0 84 84 657.0 384 384 658.0 324 324 659.0 997 997 660.0 996 996 661.0 567 567 662.0 235 235 663.0 96 96 664.0 103 103 665.0 73 73 666.0 108 108 667.0 113 113 668.0 89 89 668.9 77 77 670.0 69 69 671.0 137 137 671.9 98 98 673.0 169 169 674.0 114 114 675.0 362 362 676.0 246 246 677.0 124 124 678.0 107 107 678.9 115 115 680.0 89 89 681.0 100 100 682.0 118 118 682.9 63 63 684.0 67 67 685.0 78 78 686.0 89 89 687.1 67 67 687.9 94 94 689.0 78 78 690.0 84 84 //