ACCESSION: MSBNK-RIKEN_NPDepo-NGA02677
RECORD_TITLE: Geniposide; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+Na]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Monoterpenoids, Iridoid monoterpenoids

CH$NAME: Geniposide
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₁₇H₂₄O₁₀
CH$EXACT_MASS: 388.3748
CH$SMILES: COC(=O)C1=CO[C@@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12
CH$IUPAC: InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3/t8-,10-,11-,12-,13+,14-,16+,17?/m1/s1
CH$LINK: CAS 24512-63-8
CH$LINK: CHEMSPIDER 23089587
CH$LINK: INCHIKEY IBFYXTRXDNAPMM-NOPYRFGNSA-N
CH$LINK: PUBCHEM CID:16394645

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+Na]+

PK$SPLASH: splash10-03di-0050900000-ab34abda1958ccdeb177
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  216.4 4.72 4
  216.5 7.48 7
  216.6 15.12 15
  216.7 26.86 26
  216.8 35.83 35
  216.9 34.12 34
  217.0 23.17 23
  217.2 18.91 18
  217.3 30.54 30
  217.4 36.25 36
  217.5 29.11 29
  217.6 15.32 15
  217.7 5.31 5
  230.7 6.63 6
  230.8 9.52 9
  230.9 14.03 14
  231.0 15.79 15
  231.1 12.58 12
  231.2 7.7 7
  410.3 4.73 4
  410.4 6.47 6
  410.5 13.81 13
  410.6 25.89 25
  410.7 35.78 35
  410.8 39.22 39
  410.9 42.99 42
  411.0 57.54 57
  411.1 80.63 80
  411.2 94.44 94
  411.3 83.37 83
  411.4 51.61 51
  411.5 19.21 19
  411.6 2.04 2
//