ACCESSION: MSBNK-UOEH-UO000012
RECORD_TITLE: 2,3-di-O-Geranylgeranyl-sn-glycerol-1-phosphate; FAB-B; MS
DATE: 2016.01.19 (Created 2009.06.03, modified 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
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  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
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  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
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  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
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  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
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  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
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  827.9 75 75
  829.0 36 36
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  830.9 90 90
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  833.9 60 60
  835.0 62 62
  835.9 74 74
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  838.0 60 60
  839.0 79 79
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  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
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  850.0 28 28
  850.9 78 78
  851.9 79 79
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  857.0 115 115
  858.1 63 63
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  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
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  873.9 102 102
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  877.9 65 65
  879.0 69 69
  879.9 33 33
  880.9 75 75
  881.9 70 70
  882.9 47 47
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  885.0 50 50
  885.9 72 72
  886.9 28 28
  888.0 60 60
  889.0 89 89
  890.0 57 57
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  891.9 62 62
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  894.9 65 65
  896.0 33 33
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  911.1 58 58
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  913.0 85 85
  914.0 89 89
//