ACCESSION: MSBNK-RIKEN_NPDepo-NGA04388
RECORD_TITLE: Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Pregnanes

CH$NAME: Poststerone
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C₂₁H₃₀O₅
CH$EXACT_MASS: 362.4703
CH$SMILES: CC(=O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)C[C@]4(C)C3CC[C@]12C
CH$IUPAC: InChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12?,13?,15?,17?,18?,19-,20-,21-/m1/s1
CH$LINK: CAS 10162-99-9
CH$LINK: CHEMSPIDER 390412 4478702
CH$LINK: INCHIKEY VNLQNGYIXVTQRR-BLMSIPRSSA-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$SPLASH: splash10-01vo-0069000000-4362b182603c78b11c09
PK$NUM_PEAK: 573
PK$PEAK: m/z int. rel.int.
  226.9 3.58 3
  227.0 10.03 10
  227.1 19.17 19
  227.2 22.81 22
  227.3 17.24 17
  227.4 8.04 8
  272.6 3.79 3
  272.7 4.95 4
  272.8 13.28 13
  272.9 33.94 33
  273.0 60.68 60
  273.1 75.64 75
  273.2 66.44 66
  273.3 40.14 40
  273.4 15.09 15
  273.5 2.42 2
  273.7 2.35 2
  273.8 4.58 4
  273.9 5.98 5
  274.0 6.37 6
  274.1 5.79 5
  274.2 4.83 4
  274.3 4.44 4
  274.4 5.0 4
  274.5 5.96 5
  274.6 6.4 6
  274.7 5.91 5
  274.8 4.9 4
  274.9 4.16 4
  275.0 4.21 4
  275.1 4.97 4
  275.2 5.77 5
  275.3 5.91 5
  275.4 5.29 5
  275.5 4.53 4
  275.6 4.45 4
  275.7 5.25 5
  275.8 6.28 6
  275.9 6.6 6
  276.0 5.93 5
  276.1 4.84 4
  276.2 4.28 4
  276.3 4.69 4
  276.4 5.66 5
  276.5 6.3 6
  276.6 5.98 5
  276.7 4.94 4
  276.8 4.13 4
  276.9 4.35 4
  277.0 5.45 5
  277.1 6.49 6
  277.2 6.48 6
  277.3 5.35 5
  277.4 4.01 4
  277.5 3.59 3
  277.6 4.36 4
  277.7 5.48 5
  277.8 5.93 5
  277.9 5.38 5
  278.0 4.41 4
  278.1 3.89 3
  278.2 4.27 4
  278.3 5.27 5
  278.4 6.14 6
  278.5 6.18 6
  278.6 5.35 5
  278.7 4.39 4
  278.8 4.14 4
  278.9 4.79 4
  279.0 5.78 5
  279.1 6.28 6
  279.2 5.91 5
  279.3 4.98 4
  279.4 4.19 4
  279.5 4.15 4
  279.6 4.9 4
  279.7 5.88 5
  279.8 6.31 6
  279.9 5.88 5
  280.0 5.1 5
  280.1 4.79 4
  280.2 5.2 5
  280.3 5.84 5
  280.4 5.94 5
  280.5 5.3 5
  280.6 4.46 4
  280.7 4.23 4
  280.8 4.8 4
  280.9 5.64 5
  281.0 6.06 6
  281.1 5.82 5
  281.2 5.17 5
  281.3 4.67 4
  281.4 4.81 4
  281.5 5.54 5
  281.6 6.23 6
  281.7 6.16 6
  281.8 5.31 5
  281.9 4.4 4
  282.0 4.18 4
  282.1 4.76 4
  282.2 5.57 5
  282.3 5.91 5
  282.4 5.55 5
  282.5 4.88 4
  282.6 4.54 4
  282.7 4.89 4
  282.8 5.61 5
  282.9 5.95 5
  283.0 5.52 5
  283.1 4.74 4
  283.2 4.41 4
  283.3 4.89 4
  283.4 5.83 5
  283.5 6.51 6
  283.6 6.4 6
  283.7 5.59 5
  283.8 4.68 4
  283.9 4.28 4
  284.0 4.57 4
  284.1 5.07 5
  284.2 5.15 5
  284.3 4.76 4
  284.4 4.56 4
  284.5 5.06 5
  284.6 6.06 6
  284.7 6.87 6
  284.8 6.97 6
  284.9 6.32 6
  285.0 5.29 5
  285.1 4.53 4
  285.2 4.53 4
  285.3 5.21 5
  285.4 5.95 5
  285.5 6.13 6
  285.6 5.57 5
  285.7 4.68 4
  285.8 4.14 4
  285.9 4.41 4
  286.0 5.26 5
  286.1 5.92 5
  286.2 5.77 5
  286.3 4.98 4
  286.4 4.37 4
  286.5 4.62 4
  286.6 5.53 5
  286.7 6.28 6
  286.8 6.22 6
  286.9 5.41 5
  287.0 4.56 4
  287.1 4.42 4
  287.2 5.17 5
  287.3 6.24 6
  287.4 6.77 6
  287.5 6.3 6
  287.6 5.18 5
  287.7 4.38 4
  287.8 4.57 4
  287.9 5.52 5
  288.0 6.3 6
  288.1 6.24 6
  288.2 5.41 5
  288.3 4.54 4
  288.4 4.36 4
  288.5 5.09 5
  288.6 6.1 6
  288.7 6.41 6
  288.8 5.56 5
  288.9 4.15 4
  289.0 3.4 3
  289.1 3.97 3
  289.2 5.41 5
  289.3 6.57 6
  289.4 6.56 6
  289.5 5.4 5
  289.6 4.03 4
  289.7 3.54 3
  289.8 4.28 4
  289.9 5.6 5
  290.0 6.37 6
  290.1 6.03 6
  290.2 5.09 5
  290.3 4.58 4
  290.4 4.97 4
  290.5 5.77 5
  290.6 6.07 6
  290.7 5.51 5
  290.8 4.59 4
  290.9 4.13 4
  291.0 4.46 4
  291.1 5.22 5
  291.2 5.77 5
  291.3 5.63 5
  291.4 4.87 4
  291.5 4.14 4
  291.6 4.26 4
  291.7 5.3 5
  291.8 6.4 6
  291.9 6.61 6
  292.0 5.79 5
  292.1 4.72 4
  292.2 4.29 4
  292.3 4.77 4
  292.4 5.62 5
  292.5 6.02 6
  292.6 5.63 5
  292.7 4.89 4
  292.8 4.55 4
  292.9 4.98 4
  293.0 5.85 5
  293.1 6.4 6
  293.2 6.13 6
  293.3 5.27 5
  293.4 4.51 4
  293.5 4.43 4
  293.6 5.09 5
  293.7 6.03 6
  293.8 6.55 6
  293.9 6.22 6
  294.0 5.3 5
  294.1 4.5 4
  294.2 4.42 4
  294.3 5.07 5
  294.4 5.88 5
  294.5 6.13 6
  294.6 5.53 5
  294.7 4.63 4
  294.8 4.34 4
  294.9 5.02 5
  295.0 6.0 5
  295.1 6.33 6
  295.2 5.77 5
  295.3 4.94 4
  295.4 4.58 4
  295.5 4.95 4
  295.6 5.7 5
  295.7 6.2 6
  295.8 6.02 6
  295.9 5.19 5
  296.0 4.32 4
  296.1 4.15 4
  296.2 4.88 4
  296.3 5.88 5
  296.4 6.22 6
  296.5 5.63 5
  296.6 4.76 4
  296.7 4.5 4
  296.8 5.13 5
  296.9 6.09 6
  297.0 6.49 6
  297.1 5.93 5
  297.2 4.85 4
  297.3 4.11 4
  297.4 4.29 4
  297.5 5.19 5
  297.6 6.0 5
  297.7 5.98 5
  297.8 5.12 5
  297.9 4.2 4
  298.0 4.09 4
  298.1 4.91 4
  298.2 5.91 5
  298.3 6.23 6
  298.4 5.69 5
  298.5 4.84 4
  298.6 4.45 4
  298.7 4.9 4
  298.8 5.76 5
  298.9 6.23 6
  299.0 5.85 5
  299.1 4.96 4
  299.2 4.36 4
  299.3 4.61 4
  299.4 5.51 5
  299.5 6.29 6
  299.6 6.26 6
  299.7 5.45 5
  299.8 4.58 4
  299.9 4.47 4
  300.0 5.25 5
  300.1 6.29 6
  300.2 6.67 6
  300.3 5.99 5
  300.4 4.7 4
  300.5 3.79 3
  300.6 4.05 4
  300.7 5.42 5
  300.8 7.01 7
  300.9 7.65 7
  301.0 6.85 6
  301.1 5.41 5
  301.2 4.65 4
  301.3 5.12 5
  301.4 6.02 6
  301.5 6.23 6
  301.6 5.5 5
  301.7 4.52 4
  301.8 4.17 4
  301.9 4.72 4
  302.0 5.71 5
  302.1 6.31 6
  302.2 6.0 5
  302.3 5.07 5
  302.4 4.33 4
  302.5 4.45 4
  302.6 5.34 5
  302.7 6.21 6
  302.8 6.27 6
  302.9 5.52 5
  303.0 4.73 4
  303.1 4.71 4
  303.2 5.46 5
  303.3 6.2 6
  303.4 6.23 6
  303.5 5.55 5
  303.6 4.75 4
  303.7 4.43 4
  303.8 4.82 4
  303.9 5.71 5
  304.0 6.48 6
  304.1 6.51 6
  304.2 5.78 5
  304.3 5.02 5
  304.4 4.93 4
  304.5 5.39 5
  304.6 5.7 5
  304.7 5.41 5
  304.8 4.73 4
  304.9 4.2 4
  305.0 4.22 4
  305.1 4.82 4
  305.2 5.57 5
  305.3 5.94 5
  305.4 5.68 5
  305.5 5.07 5
  305.6 4.6 4
  305.7 4.66 4
  305.8 5.21 5
  305.9 5.69 5
  306.0 5.53 5
  306.1 4.73 4
  306.2 3.99 3
  306.3 4.07 4
  306.4 5.1 5
  306.5 6.29 6
  306.6 6.62 6
  306.7 5.72 5
  306.8 4.31 4
  306.9 3.57 3
  307.0 4.01 4
  307.1 5.1 5
  307.2 5.83 5
  307.3 5.61 5
  307.4 4.79 4
  307.5 4.32 4
  307.6 4.86 4
  307.7 6.05 6
  307.8 6.78 6
  307.9 6.35 6
  308.0 5.23 5
  308.1 4.43 4
  308.2 4.48 4
  308.3 5.08 5
  308.4 5.59 5
  308.5 5.6 5
  308.6 5.21 5
  308.7 4.9 4
  308.8 5.05 5
  308.9 5.61 5
  309.0 6.23 6
  309.1 6.52 6
  309.2 6.28 6
  309.3 5.52 5
  309.4 4.61 4
  309.5 4.2 4
  309.6 4.72 4
  309.7 5.77 5
  309.8 6.41 6
  309.9 6.02 6
  310.0 5.02 5
  310.1 4.37 4
  310.2 4.68 4
  310.3 5.7 5
  310.4 6.63 6
  310.5 6.71 6
  310.6 5.91 5
  310.7 4.98 4
  310.8 4.78 4
  310.9 5.44 5
  311.0 6.29 6
  311.1 6.45 6
  311.2 5.65 5
  311.3 4.45 4
  311.4 3.79 3
  311.5 4.19 4
  311.6 5.27 5
  311.7 6.09 6
  311.8 6.0 5
  311.9 5.2 5
  312.0 4.5 4
  312.1 4.6 4
  312.2 5.43 5
  312.3 6.24 6
  312.4 6.24 6
  312.5 5.39 5
  312.6 4.43 4
  312.7 4.24 4
  312.8 5.04 5
  312.9 6.04 6
  313.0 6.26 6
  313.1 5.47 5
  313.2 4.4 4
  313.3 4.0 3
  313.4 4.61 4
  313.5 5.79 5
  313.6 6.66 6
  313.7 6.58 6
  313.8 5.68 5
  313.9 4.71 4
  314.0 4.47 4
  314.1 5.08 5
  314.2 5.92 5
  314.3 6.21 6
  314.4 5.7 5
  314.5 4.84 4
  314.6 4.36 4
  314.7 4.72 4
  314.8 5.71 5
  314.9 6.52 6
  315.0 6.37 6
  315.1 5.39 5
  315.2 4.53 4
  315.3 4.7 4
  315.4 5.84 5
  315.5 7.08 7
  315.6 7.57 7
  315.7 7.13 7
  315.8 6.2 6
  315.9 5.46 5
  316.0 5.27 5
  316.1 5.38 5
  316.2 5.17 5
  316.3 4.37 4
  316.4 3.39 3
  316.5 2.99 2
  316.6 3.56 3
  316.7 4.74 4
  316.8 5.69 5
  316.9 5.77 5
  317.0 5.11 5
  317.1 4.44 4
  317.2 4.44 4
  317.3 5.13 5
  317.4 5.86 5
  317.5 5.96 5
  317.6 5.27 5
  317.7 4.32 4
  317.8 3.9 3
  317.9 4.36 4
  318.0 5.24 5
  318.1 5.8 5
  318.2 5.61 5
  318.3 4.95 4
  318.4 4.46 4
  318.5 4.58 4
  318.6 5.24 5
  318.7 5.93 5
  318.8 6.07 6
  318.9 5.55 5
  319.0 4.82 4
  319.1 4.55 4
  319.2 4.99 4
  319.3 5.79 5
  319.4 6.29 6
  319.5 6.02 6
  319.6 5.12 5
  319.7 4.3 4
  319.8 4.3 4
  319.9 5.19 5
  320.0 6.14 6
  320.1 6.23 6
  320.2 5.38 5
  320.3 4.46 4
  320.4 4.44 4
  320.5 5.4 5
  320.6 6.51 6
  320.7 6.78 6
  320.8 5.93 5
  320.9 4.56 4
  321.0 3.67 3
  321.1 3.86 3
  321.2 4.86 4
  321.3 5.75 5
  321.4 5.83 5
  321.5 5.2 5
  321.6 4.58 4
  321.7 4.61 4
  321.8 5.27 5
  321.9 5.99 5
  322.0 6.06 6
  322.1 5.27 5
  322.2 4.21 4
  322.3 3.76 3
  322.4 4.31 4
  322.5 5.3 5
  322.6 5.88 5
  322.7 5.68 5
  322.8 5.07 5
  322.9 4.75 4
  323.0 5.16 5
  323.1 5.96 5
  323.2 6.26 6
  323.3 5.58 5
  323.4 4.42 4
  323.5 3.72 3
  323.6 3.99 3
  323.7 4.87 4
  323.8 5.55 5
  323.9 5.5 5
  324.0 4.91 4
  324.1 4.5 4
  324.2 4.75 4
  324.3 5.54 5
  324.4 6.28 6
  324.5 6.42 6
  324.6 5.77 5
  324.7 4.69 4
  324.8 4.0 3
  324.9 4.32 4
  325.0 5.39 5
  325.1 6.24 6
  325.2 6.16 6
  325.3 5.31 5
  325.4 4.49 4
  325.5 4.36 4
  325.6 4.9 4
  325.7 5.55 5
  325.8 5.76 5
  325.9 5.3 5
  326.0 4.48 4
  326.1 4.21 4
  326.2 5.31 5
  326.3 7.18 7
  326.4 8.44 8
  326.5 10.12 10
  326.6 15.01 14
  326.7 22.25 22
  326.8 26.21 26
  326.9 23.14 23
  327.0 15.68 15
  327.1 8.95 8
  342.3 3.34 3
  342.4 4.25 4
  342.5 8.37 8
  342.6 21.72 21
  342.7 47.0 46
  342.8 76.4 76
  342.9 94.74 94
  343.0 91.55 91
  343.1 68.81 68
  343.2 38.29 38
  343.3 13.25 13
  343.4 1.0 0
  360.7 2.13 2
  360.8 3.3 3
  360.9 10.78 10
  361.0 28.72 28
  361.1 54.36 54
  361.2 73.83 73
  361.3 71.92 71
  361.4 48.71 48
  361.5 20.96 20
  361.6 4.83 4
//