ACCESSION: MSBNK-RIKEN_NPDepo-NGA03175
RECORD_TITLE: Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-006x-0309000000-69aebeec4e98268dd9eb
PK$NUM_PEAK: 190
PK$PEAK: m/z int. rel.int.
  118.6 0.91 0
  118.7 2.31 2
  118.8 4.47 4
  118.9 6.41 6
  119.0 7.06 7
  119.1 6.49 6
  119.2 5.82 5
  119.3 5.5 5
  119.4 4.76 4
  119.5 3.04 3
  144.6 1.29 1
  144.7 3.4 3
  144.8 5.91 5
  144.9 7.51 7
  145.0 7.75 7
  145.1 7.35 7
  145.2 7.0 6
  145.3 6.33 6
  145.4 4.72 4
  145.5 2.47 2
  152.3 0.34 0
  152.4 1.74 1
  152.5 4.41 4
  152.6 8.41 8
  152.7 13.58 13
  152.8 19.48 19
  152.9 25.29 25
  153.0 29.92 29
  153.1 32.4 32
  153.2 32.04 32
  153.3 28.16 28
  153.4 20.46 20
  153.5 10.68 10
  153.6 2.55 2
  154.4 1.14 1
  154.5 2.66 2
  154.6 4.71 4
  154.7 7.27 7
  154.8 10.44 10
  154.9 14.12 14
  155.0 17.69 17
  155.1 20.19 20
  155.2 20.74 20
  155.3 18.69 18
  155.4 13.99 13
  155.5 7.82 7
  155.6 2.49 2
  170.7 1.48 1
  170.8 3.02 3
  170.9 4.62 4
  171.0 5.91 5
  171.1 7.05 7
  171.2 8.04 8
  171.3 8.08 8
  171.4 6.4 6
  171.5 3.54 3
  174.7 1.72 1
  174.8 3.17 3
  174.9 5.63 5
  175.0 8.34 8
  175.1 9.93 9
  175.2 9.6 9
  175.3 7.65 7
  175.4 4.96 4
  175.5 2.35 2
  184.7 1.53 1
  184.8 2.87 2
  184.9 4.68 4
  185.0 6.67 6
  185.1 8.13 8
  185.2 8.19 8
  185.3 6.57 6
  185.4 3.95 3
  186.5 1.74 1
  186.6 2.92 2
  186.7 4.69 4
  186.8 7.56 7
  186.9 11.74 11
  187.0 16.44 16
  187.1 20.06 20
  187.2 21.27 21
  187.3 19.5 19
  187.4 14.82 14
  187.5 8.39 8
  187.6 2.62 2
  196.8 2.91 2
  196.9 4.16 4
  197.0 5.31 5
  197.1 6.4 6
  197.2 7.31 7
  197.3 7.28 7
  197.4 5.67 5
  197.5 3.02 3
  262.9 3.44 3
  263.0 4.8 4
  263.1 6.4 6
  263.2 7.21 7
  263.3 6.44 6
  263.4 4.49 4
  263.5 2.47 2
  276.8 1.4 1
  276.9 2.74 2
  277.0 4.19 4
  277.1 5.36 5
  277.2 6.03 6
  277.3 6.1 6
  277.4 5.46 5
  277.5 4.04 4
  277.6 2.16 2
  304.7 2.31 2
  304.8 3.79 3
  304.9 6.41 6
  305.0 9.31 9
  305.1 11.16 11
  305.2 11.29 11
  305.3 9.93 9
  305.4 7.47 7
  305.5 4.44 4
  305.6 1.7 1
  322.3 0.16 0
  322.4 1.5 1
  322.5 4.4 4
  322.6 8.62 8
  322.7 15.39 15
  322.8 27.54 27
  322.9 45.9 45
  323.0 66.43 66
  323.1 83.14 83
  323.2 92.95 92
  323.3 94.4 94
  323.4 83.98 83
  323.5 59.88 59
  323.6 29.37 29
  323.7 5.72 5
  323.8 0.0 0
  332.5 0.42 0
  332.6 1.71 1
  332.7 4.36 4
  332.8 7.93 7
  332.9 11.73 11
  333.0 15.05 15
  333.1 17.45 17
  333.2 18.85 18
  333.3 18.86 18
  333.4 16.41 16
  333.5 11.13 11
  333.6 4.83 4
  333.7 0.5 0
  340.4 1.2 1
  340.5 3.92 3
  340.6 8.09 8
  340.7 13.86 13
  340.8 22.88 22
  340.9 37.84 37
  341.0 59.04 58
  341.1 81.56 81
  341.2 97.33 97
  341.3 100.0 99
  341.4 87.38 87
  341.5 61.88 61
  341.6 31.55 31
  341.7 7.62 7
  341.8 0.0 0
  350.3 1.62 1
  350.4 3.03 3
  350.5 4.69 4
  350.6 7.19 7
  350.7 12.64 12
  350.8 24.1 24
  350.9 42.39 42
  351.0 63.09 63
  351.1 79.17 79
  351.2 86.76 86
  351.3 85.54 85
  351.4 74.36 74
  351.5 52.4 52
  351.6 25.44 25
  351.7 4.83 4
  368.6 2.04 2
  368.7 3.73 3
  368.8 6.79 6
  368.9 11.06 11
  369.0 15.55 15
  369.1 19.42 19
  369.2 22.58 22
  369.3 24.62 24
  369.4 23.76 23
  369.5 18.39 18
  369.6 9.98 9
  369.7 2.67 2
//