MassBank Record: NGA05064



 Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA05064
RECORD_TITLE: Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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-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 //