ACCESSION: MSBNK-RIKEN_NPDepo-NGA05064
RECORD_TITLE: Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-000i-0009100000-f3e2a2ace7c4bb20f937
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  367.0 1.44 1
  367.1 3.16 3
  367.2 5.62 5
  367.3 7.18 7
  367.4 6.37 6
  367.5 3.79 3
  384.1 1.2 1
  384.2 3.14 3
  384.3 5.71 5
  384.4 7.66 7
  384.5 10.88 10
  384.6 23.73 23
  384.7 46.26 46
  384.8 67.38 67
  384.9 76.89 76
  385.0 79.68 79
  385.1 87.93 87
  385.2 100.0 99
  385.3 98.49 98
  385.4 72.74 72
  385.5 34.47 34
  385.6 6.57 6
  385.7 0.0 0
  430.3 1.08 1
  430.4 2.43 2
  430.5 4.99 4
  430.6 7.54 7
  430.7 9.36 9
  430.8 11.01 10
  430.9 12.47 12
  431.0 12.64 12
  431.1 11.35 11
  431.2 9.53 9
  431.3 7.31 7
  431.4 4.33 4
//