ACCESSION: MSBNK-UOEH-UO000010
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 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
//