ACCESSION: MSBNK-RIKEN_NPDepo-NGA05066
RECORD_TITLE: Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Cardanolides

CH$NAME: Hyrcanogenin
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C₂₃H₃₀O₅
CH$EXACT_MASS: 386.4926
CH$SMILES: C[C@]12CCC3C(CCC4=CC(O)CC[C@@]43C=O)C1(O)CCC2C1=CC(=O)OC1
CH$IUPAC: InChI=1S/C23H30O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h10-11,13,16-19,25,27H,2-9,12H2,1H3/t16?,17?,18?,19?,21-,22-,23?/m1/s1
CH$LINK: CAS 14530-91-7
CH$LINK: INCHIKEY JPIDFRQBAGAXJM-NGIHOKHASA-N

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 NEGATIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+HCOO]-

PK$SPLASH: splash10-000i-0009000000-e851157f4214e3d2fd34
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  340.7 1.94 1
  340.8 4.97 4
  340.9 12.66 12
  341.0 22.09 22
  341.1 25.98 25
  341.2 20.34 20
  341.3 9.75 9
  341.4 2.09 2
  384.3 1.13 1
  384.4 2.87 2
  384.5 7.85 7
  384.6 14.66 14
  384.7 19.67 19
  384.8 25.0 24
  384.9 41.3 41
  385.0 71.63 71
  385.1 98.32 98
  385.2 96.29 96
  385.3 63.89 63
  385.4 24.98 24
  385.5 3.58 3
//