MassBank Record: CB000415



 Ginkgolide B; LC-ESI-QQQ; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

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

CH$NAME: Ginkgolide B CH$COMPOUND_CLASS: Terpenoids CH$FORMULA: C20H24O10 CH$EXACT_MASS: 424.40828 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: PUBCHEM CID:21105603 16498780 23089477 23498733 17471790 26232116 CH$LINK: INCHIKEY SQOJOAFXDQDRGF-MMQTXUMRSA-N
AC$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 //