MassBank Record: NGA05066



 Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

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

CH$NAME: Hyrcanogenin CH$COMPOUND_CLASS: Steroids CH$FORMULA: C23H30O5 CH$EXACT_MASS: 386.49255000000005 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 //