ACCESSION: MSBNK-RIKEN_NPDepo-NGA02663
RECORD_TITLE: Ginkgolide B; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-0001900000-0c9a20810f27bf14ecf2
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  360.4 1.43 1
  360.5 2.45 2
  360.6 4.04 4
  360.7 6.68 6
  360.8 10.42 10
  360.9 14.78 14
  361.0 19.09 19
  361.1 22.64 22
  361.2 23.99 23
  361.3 21.35 21
  361.4 14.58 14
  361.5 6.51 6
  361.6 1.01 1
  424.2 1.22 1
  424.3 2.77 2
  424.4 5.3 5
  424.5 9.31 9
  424.6 16.32 16
  424.7 28.39 28
  424.8 46.1 46
  424.9 66.91 66
  425.0 85.82 85
  425.1 97.92 97
  425.2 100.0 99
  425.3 90.28 90
  425.4 68.84 68
  425.5 40.46 40
  425.6 14.76 14
  425.7 0.98 0
//