ACCESSION: MSBNK-RIKEN_NPDepo-NGA03176
RECORD_TITLE: Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
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 POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0009000000-ab72ade1e3024f4a7998
PK$NUM_PEAK: 121
PK$PEAK: m/z int. rel.int.
  152.6 2.18 2
  152.7 3.53 3
  152.8 5.49 5
  152.9 7.82 7
  153.0 9.69 9
  153.1 10.32 10
  153.2 9.57 9
  153.3 7.75 7
  153.4 5.24 5
  153.5 2.61 2
  154.5 1.35 1
  154.6 2.68 2
  154.7 4.75 4
  154.8 7.23 7
  154.9 9.33 9
  155.0 10.38 10
  155.1 10.53 10
  155.2 10.13 10
  155.3 8.88 8
  155.4 6.33 6
  155.5 3.05 3
  186.5 0.67 0
  186.6 1.9 1
  186.7 3.61 3
  186.8 5.32 5
  186.9 6.95 6
  187.0 8.7 8
  187.1 10.43 10
  187.2 11.33 11
  187.3 10.43 10
  187.4 7.56 7
  187.5 3.81 3
  304.9 1.8 1
  305.0 2.95 2
  305.1 4.26 4
  305.2 5.1 5
  305.3 4.97 4
  305.4 3.89 3
  305.5 2.35 2
  322.3 0.22 0
  322.4 1.6 1
  322.5 4.06 4
  322.6 7.21 7
  322.7 11.48 11
  322.8 18.7 18
  322.9 30.62 30
  323.0 46.28 46
  323.1 61.23 61
  323.2 70.35 70
  323.3 71.02 70
  323.4 62.69 62
  323.5 46.0 45
  323.6 24.81 24
  323.7 6.75 6
  323.8 0.0 0
  332.7 2.4 2
  332.8 4.0 3
  332.9 6.71 6
  333.0 9.85 9
  333.1 12.1 12
  333.2 12.74 12
  333.3 11.93 11
  333.4 9.8 9
  333.5 6.35 6
  333.6 2.56 2
  340.4 1.13 1
  340.5 3.3 3
  340.6 7.88 7
  340.7 16.17 16
  340.8 29.3 29
  340.9 46.7 46
  341.0 65.69 65
  341.1 83.11 83
  341.2 95.95 95
  341.3 100.0 99
  341.4 90.17 90
  341.5 65.55 65
  341.6 34.06 34
  341.7 8.58 8
  341.8 0.0 0
  350.4 2.04 2
  350.5 4.15 4
  350.6 7.71 7
  350.7 13.38 13
  350.8 22.6 22
  350.9 36.08 36
  351.0 51.65 51
  351.1 64.94 64
  351.2 72.65 72
  351.3 73.27 73
  351.4 64.76 64
  351.5 46.08 46
  351.6 22.48 22
  351.7 4.13 4
  368.4 1.04 1
  368.5 2.76 2
  368.6 5.57 5
  368.7 9.17 9
  368.8 13.63 13
  368.9 19.31 19
  369.0 25.84 25
  369.1 31.47 31
  369.2 34.57 34
  369.3 34.75 34
  369.4 31.79 31
  369.5 24.8 24
  369.6 14.42 14
  369.7 4.49 4
  369.8 0.0 0
  386.6 2.01 2
  386.7 3.85 3
  386.8 6.65 6
  386.9 10.38 10
  387.0 15.01 14
  387.1 20.15 20
  387.2 24.45 24
  387.3 25.8 25
  387.4 22.59 22
  387.5 15.35 15
  387.6 7.04 7
  387.7 1.1 1
//