MassBank Record: NGA05063



 Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA05063
RECORD_TITLE: Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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: splash10-001i-0005900000-61f1df75b02a2c2d8d83 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 384.3 0.39 0 384.4 2.27 2 384.5 6.13 6 384.6 12.19 12 384.7 19.75 19 384.8 27.97 27 384.9 37.13 37 385.0 48.25 48 385.1 60.06 59 385.2 67.02 66 385.3 63.35 63 385.4 49.03 48 385.5 29.99 29 385.6 13.11 13 385.7 3.03 3 430.1 0.9 0 430.2 2.48 2 430.3 4.88 4 430.4 8.7 8 430.5 15.1 15 430.6 24.8 24 430.7 37.24 37 430.8 52.0 51 430.9 69.12 69 431.0 86.27 86 431.1 97.96 97 431.2 100.0 99 431.3 91.92 91 431.4 74.25 74 431.5 48.45 48 431.6 21.11 21 431.7 2.57 2 //