ACCESSION: MSBNK-RIKEN_NPDepo-CB000415
RECORD_TITLE: Ginkgolide B; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Diterpenoids, Ginkgolide diterpenoids

CH$NAME: Ginkgolide B
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₂₀H₂₄O₁₀
CH$EXACT_MASS: 424.4083
CH$SMILES: C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O
CH$IUPAC: InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17+,18+,19-,20-/m1/s1
CH$LINK: CAS 15291-77-7
CH$LINK: CHEMSPIDER 21105603 16498780 23089477 23498733 17471790 26232116
CH$LINK: INCHIKEY SQOJOAFXDQDRGF-MMQTXUMRSA-N
CH$LINK: COMPTOX DTXSID70873223
CH$LINK: PUBCHEM CID:6324617

AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0002-0410900080-37b5a4ce699f5991b5db
PK$NUM_PEAK: 317
PK$PEAK: m/z int. rel.int.
  100.3000 38040.4297 37
  101.2000 218864.6094 222
  101.3000 282529.5938 287
  101.4000 267339.7813 271
  101.5000 177390.0313 179
  101.6000 36191.2617 35
  101.7000 25492.3848 24
  101.8000 29190.7598 28
  102.2000 32492.8887 32
  118.4000 99195.7656 100
  118.6000 27605.7520 27
  141.4000 32228.7070 31
  141.5000 259414.7656 263
  141.6000 843361.9375 858
  141.7000 852211.9375 867
  141.8000 869779.1875 885
  141.9000 845475.6250 860
  142.0000 603231.6250 614
  142.1000 610100.0625 621
  142.2000 681161.7500 693
  142.3000 682878.9375 695
  142.4000 549737.3125 559
  142.5000 484883.6875 493
  142.6000 172106.6406 174
  142.7000 71854.1797 72
  142.8000 61551.5820 61
  142.9000 99459.9141 100
  143.0000 45965.5469 45
  143.1000 45305.1250 45
  143.3000 27209.4902 26
  143.4000 59570.2891 59
  148.8000 29058.6445 28
  148.9000 32889.1484 32
  149.1000 55211.4844 55
  173.4000 22190.2617 21
  221.2000 26549.0762 26
  221.3000 31304.1309 30
  222.9000 30247.4434 29
  224.6000 42663.4180 42
  225.8000 30115.3594 29
  238.6000 33021.2305 32
  262.1000 39625.4727 39
  275.3000 33813.7383 33
  279.2000 44776.7773 44
  294.7000 38040.4492 37
  299.0000 25096.1309 24
  314.8000 26416.9785 25
  334.6000 26020.7246 25
  360.8000 33945.8203 33
  361.8000 27737.8301 27
  408.4000 236696.1406 240
  408.5000 40682.1563 40
  408.6000 96818.2422 97
  408.7000 54154.8125 54
  408.8000 74760.0625 75
  408.9000 74892.1563 75
  409.0000 82817.2422 83
  409.1000 68948.3203 69
  409.2000 82553.0703 83
  409.3000 117951.8125 119
  409.4000 27209.4883 26
  409.6000 48871.4141 48
  409.7000 69740.8281 70
  409.9000 27473.6563 27
  410.1000 34870.4141 34
  424.2000 27737.8301 27
  424.3000 60759.0586 60
  424.4000 209090.3906 212
  424.5000 343552.8750 349
  424.6000 447899.9063 455
  424.7000 518565.3438 527
  424.8000 528735.9375 538
  424.9000 607326.3750 618
  425.0000 664519.2500 676
  425.1000 713522.6250 726
  425.2000 600590.1250 611
  425.3000 637309.6250 648
  425.4000 642328.8125 653
  425.5000 272359.0625 276
  425.6000 157709.3906 159
  425.7000 169861.1719 172
  425.8000 148199.2813 150
  425.9000 177257.9219 179
  426.0000 142387.5313 144
  426.1000 135387.0313 137
  426.2000 99327.8516 100
  426.3000 93912.3594 94
  426.4000 128518.6172 130
  426.5000 68287.8984 68
  426.6000 117819.7188 119
  426.7000 124820.2422 126
  426.8000 41078.4141 40
  426.9000 75552.5703 76
  427.0000 61683.6563 61
  427.1000 89289.3906 90
  427.2000 40021.7344 39
  427.3000 76477.1797 76
  427.4000 26681.1504 26
  427.7000 27737.8301 27
  427.8000 34870.4141 34
  427.9000 34870.4141 34
  428.1000 27341.5742 26
  428.3000 55343.5664 55
  441.4000 77665.9141 78
  441.5000 110951.3203 112
  441.6000 229299.4219 232
  441.7000 232997.7813 236
  441.8000 191258.9375 193
  441.9000 221242.2344 224
  442.0000 372611.5313 378
  442.1000 173295.4219 175
  442.2000 142651.6875 144
  442.3000 119668.9297 121
  442.4000 150180.5469 152
  442.5000 179371.3125 181
  442.6000 138953.3594 140
  442.7000 114121.3672 115
  442.8000 117027.2266 118
  442.9000 145293.4219 147
  443.0000 139349.5781 141
  443.1000 100780.7813 101
  443.2000 110555.0469 111
  443.3000 105667.9141 106
  443.4000 50984.7695 50
  443.5000 38700.8789 38
  443.6000 32096.6328 31
  443.7000 46625.9727 46
  443.9000 32624.9727 32
  444.0000 40417.9844 40
  465.3000 55475.6602 55
  465.4000 157313.1406 159
  465.5000 321626.7813 326
  465.6000 424917.1250 432
  465.7000 415671.1563 422
  465.8000 619742.5000 630
  465.9000 392820.5313 399
  466.0000 434427.2500 441
  466.1000 451598.2500 459
  466.2000 390178.8438 396
  466.3000 289133.8438 293
  466.4000 143312.1250 145
  466.5000 143312.1250 145
  466.6000 74231.7344 74
  466.7000 135915.3750 137
  466.8000 74099.6406 74
  466.9000 144104.6250 145
  467.0000 67759.5547 68
  467.1000 152293.9063 154
  467.2000 102629.9609 103
  467.3000 130103.6328 131
  467.4000 40021.7344 39
  467.5000 48343.0742 48
  467.6000 55475.6602 55
  467.8000 69608.7422 69
  468.0000 47286.3984 47
  468.1000 41474.6680 41
  468.2000 34209.9922 33
  468.4000 27473.6563 27
  469.6000 34738.3320 34
  469.7000 34474.1602 34
  469.8000 48475.1602 48
  469.9000 34606.2500 34
  470.0000 34738.3320 34
  470.3000 27737.8301 27
  470.5000 27869.9160 27
  483.4000 27869.9160 27
  483.5000 62476.1602 62
  483.6000 118744.3203 120
  483.7000 97742.8281 98
  483.8000 90213.9922 90
  483.9000 103818.7344 104
  484.0000 124952.3203 126
  484.1000 76080.9141 76
  484.2000 139349.5781 141
  484.3000 34606.2500 34
  484.4000 34738.3320 34
  502.6000 34606.2500 34
  502.7000 26945.3184 26
  502.8000 47946.8242 47
  502.9000 26813.2344 26
  503.0000 33681.6563 33
  503.3000 34738.3320 34
  504.4000 28002.0000 27
  832.5000 35002.5039 34
  832.6000 35002.5039 34
  832.9000 27737.8301 27
  833.6000 34870.4141 34
  833.9000 27605.7461 27
  848.2000 216090.8906 219
  848.3000 523188.3438 532
  848.4000 843758.3750 859
  848.5000 730825.8125 744
  848.6000 980862.5000 999
  848.7000 934104.5000 951
  848.8000 787093.8125 801
  848.9000 897913.1250 914
  849.0000 856174.5000 871
  849.1000 941104.9375 958
  849.2000 844418.8125 859
  849.3000 612609.9375 623
  849.4000 416859.9375 423
  849.5000 558455.0000 568
  849.6000 305908.7188 310
  849.7000 425841.7500 433
  849.8000 389518.3750 396
  849.9000 418180.7813 425
  850.0000 613798.6250 624
  850.1000 444333.5938 452
  850.2000 405632.7500 412
  850.3000 269717.3750 273
  850.4000 97082.4063 97
  850.5000 139613.7500 141
  850.6000 146482.1563 148
  850.7000 181880.9219 184
  850.8000 161011.5156 163
  850.9000 118215.9766 119
  851.0000 153482.6875 155
  851.1000 153746.8438 155
  851.2000 83873.9219 84
  851.3000 62740.3359 62
  851.4000 55871.9102 55
  851.5000 27737.8301 27
  851.6000 42003.0039 41
  851.8000 34738.3320 34
  852.1000 62740.3359 62
  852.2000 56004.0000 56
  865.3000 67891.6406 68
  865.4000 102101.6250 103
  865.5000 144368.7969 146
  865.6000 108309.6250 109
  865.7000 99988.2656 100
  865.8000 119272.6797 120
  865.9000 177257.9219 179
  866.0000 189145.5938 191
  866.1000 92459.4375 93
  866.2000 113328.8359 114
  866.3000 185315.1250 187
  866.4000 116102.6172 117
  866.5000 54683.1484 54
  866.6000 66834.9609 67
  866.7000 158237.7344 160
  866.8000 109894.6250 111
  866.9000 94176.5391 95
  867.0000 88100.6250 88
  867.1000 89157.3125 89
  867.2000 116630.9531 117
  867.3000 26549.0645 26
  867.4000 68816.2344 69
  867.6000 40550.0703 40
  867.7000 26549.0645 26
  867.8000 34209.9922 33
  867.9000 54947.3125 55
  868.0000 34342.0742 34
  868.1000 62212.0000 62
  868.2000 69476.6641 69
  868.4000 27605.7461 27
  868.8000 27737.8301 27
  869.0000 28002.0000 27
  907.4000 27869.9160 27
  907.5000 55871.9102 55
  907.9000 34870.4141 34
  908.0000 35002.5039 34
  908.1000 27737.8301 27
  908.3000 27605.7461 27
  909.0000 27869.9160 27
  1272.1000 48739.3320 48
  1272.2000 56004.0000 56
  1272.3000 56004.0000 56
  1272.4000 55739.8320 55
  1272.5000 84006.0078 84
  1272.6000 119008.4844 120
  1272.7000 97742.8281 98
  1272.8000 69608.7422 69
  1272.9000 132745.3281 134
  1273.0000 167879.9375 170
  1273.1000 167747.8438 170
  1273.2000 181616.7344 184
  1273.3000 48607.2461 48
  1273.4000 48739.3320 48
  1273.5000 49003.5039 48
  1273.6000 62740.3359 62
  1273.7000 111743.8203 112
  1273.8000 48739.3320 48
  1273.9000 97742.8281 98
  1274.0000 83741.8359 84
  1274.1000 90874.4063 91
  1274.2000 90874.4063 91
  1274.3000 41870.9180 41
  1274.4000 48475.1602 48
  1274.5000 48871.4141 48
  1274.6000 41738.8359 41
  1274.7000 41870.9180 41
  1274.8000 27737.8301 27
  1274.9000 41870.9180 41
  1275.0000 48871.4141 48
  1275.1000 48739.3320 48
  1275.2000 35002.5039 34
  1289.5000 27605.7461 27
  1289.6000 41606.7500 41
  1289.7000 27209.4883 26
  1289.8000 27341.5742 26
  1290.0000 26945.3184 26
  1290.1000 27473.6563 27
  1290.2000 55211.4922 55
  1290.4000 41342.5820 41
  1290.6000 90346.0703 91
  1290.7000 41474.6680 41
  1290.8000 62344.0742 62
  1290.9000 76345.0859 76
  1291.1000 69476.6641 69
  1291.2000 34342.0742 34
  1291.4000 34870.4141 34
  1291.5000 34870.4141 34
  1292.0000 55871.9102 55
  1292.5000 27869.9160 27
  1293.0000 27869.9160 27
  1293.1000 28002.0000 27
//