MassBank Record: NGA03174



 Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03174
RECORD_TITLE: Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
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 POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0fkc-0925000000-b0ab4222ddd661e95e5c PK$NUM_PEAK: 685 PK$PEAK: m/z int. rel.int. 90.7 2.66 2 90.8 3.81 3 90.9 5.05 5 91.0 5.93 5 91.1 5.81 5 91.2 4.55 4 91.3 2.8 2 94.7 1.66 1 94.8 2.77 2 94.9 4.72 4 95.0 6.97 6 95.1 8.01 8 95.2 6.8 6 95.3 4.02 4 95.4 1.42 1 108.5 1.62 1 108.6 2.71 2 108.7 4.02 4 108.8 5.56 5 108.9 6.93 6 109.0 7.62 7 109.1 7.69 7 109.2 7.3 7 109.3 6.16 6 109.4 4.13 4 109.5 1.92 1 116.4 1.01 1 116.5 2.33 2 116.6 4.12 4 116.7 6.28 6 116.8 8.4 8 116.9 9.79 9 117.0 10.53 10 117.1 11.59 11 117.2 13.16 13 117.3 13.45 13 117.4 10.59 10 117.5 5.45 5 117.6 1.1 1 118.4 1.7 1 118.5 2.98 2 118.6 5.24 5 118.7 9.62 9 118.8 16.64 16 118.9 24.94 24 119.0 31.59 31 119.1 34.1 34 119.2 32.06 32 119.3 26.51 26 119.4 18.64 18 119.5 10.01 9 119.6 3.0 2 120.9 3.25 3 121.0 4.58 4 121.1 5.98 5 121.2 6.54 6 121.3 5.72 5 121.4 3.89 3 121.5 1.92 1 124.4 1.58 1 124.5 3.28 3 124.6 6.55 6 124.7 11.57 11 124.8 17.8 17 124.9 23.31 23 125.0 25.97 25 125.1 25.77 25 125.2 24.27 24 125.3 21.47 21 125.4 15.87 15 125.5 8.09 8 125.6 1.66 1 130.4 1.21 1 130.5 2.53 2 130.6 3.94 3 130.7 5.57 5 130.8 7.68 7 130.9 10.18 10 131.0 12.12 12 131.1 12.51 12 131.2 11.12 11 131.3 8.29 8 131.4 4.77 4 131.5 1.74 1 132.5 1.06 1 132.6 2.6 2 132.7 4.98 4 132.8 7.73 7 132.9 10.14 10 133.0 11.68 11 133.1 12.62 12 133.2 13.62 13 133.3 13.99 13 133.4 11.81 11 133.5 6.87 6 133.6 1.86 1 134.6 2.01 2 134.7 3.09 3 134.8 4.52 4 134.9 5.83 5 135.0 7.22 7 135.1 9.2 9 135.2 10.84 10 135.3 10.14 10 135.4 6.72 6 135.5 2.67 2 140.5 1.96 1 140.6 3.1 3 140.7 4.22 4 140.8 5.56 5 140.9 7.41 7 141.0 9.59 9 141.1 11.24 11 141.2 11.14 11 141.3 8.8 8 141.4 5.19 5 141.5 2.06 2 142.4 1.73 1 142.5 2.85 2 142.6 4.1 4 142.7 6.05 6 142.8 9.38 9 142.9 13.83 13 143.0 17.99 17 143.1 20.47 20 143.2 20.8 20 143.3 18.69 18 143.4 13.8 13 143.5 7.19 7 143.6 1.72 1 144.2 0.78 0 144.3 2.3 2 144.4 4.35 4 144.5 5.74 5 144.6 6.92 6 144.7 10.17 10 144.8 16.89 16 144.9 25.67 25 145.0 33.38 33 145.1 36.92 36 145.2 34.6 34 145.3 27.38 27 145.4 18.28 18 145.5 10.07 10 145.6 3.99 3 146.5 1.26 1 146.6 2.46 2 146.7 4.49 4 146.8 7.06 7 146.9 9.46 9 147.0 11.04 11 147.1 11.39 11 147.2 10.4 10 147.3 8.27 8 147.4 5.55 5 147.5 2.88 2 152.2 1.28 1 152.3 2.69 2 152.4 6.97 6 152.5 12.63 12 152.6 18.19 18 152.7 25.34 25 152.8 37.57 37 152.9 54.18 54 153.0 69.15 69 153.1 76.93 76 153.2 75.71 75 153.3 64.91 64 153.4 45.02 44 153.5 21.57 21 153.6 3.87 3 154.3 0.69 0 154.4 2.29 2 154.5 5.19 5 154.6 9.21 9 154.7 14.73 14 154.8 22.62 22 154.9 32.19 32 155.0 40.12 40 155.1 43.33 43 155.2 41.99 41 155.3 37.57 37 155.4 29.7 29 155.5 18.25 18 155.6 6.67 6 155.7 0.15 0 156.4 0.95 0 156.5 3.0 2 156.6 5.13 5 156.7 6.31 6 156.8 6.89 6 156.9 8.11 8 157.0 10.13 10 157.1 11.5 11 157.2 10.91 10 157.3 8.61 8 157.4 5.77 5 157.5 3.22 3 158.4 1.78 1 158.5 3.28 3 158.6 5.27 5 158.7 7.54 7 158.8 10.8 10 158.9 15.76 15 159.0 21.13 21 159.1 24.16 24 159.2 23.35 23 159.3 19.38 19 159.4 13.57 13 159.5 7.29 7 159.6 2.29 2 160.6 1.19 1 160.7 2.36 2 160.8 4.53 4 160.9 7.95 7 161.0 11.84 11 161.1 14.37 14 161.2 13.83 13 161.3 10.18 10 161.4 5.26 5 161.5 1.54 1 166.5 0.98 0 166.6 2.51 2 166.7 4.36 4 166.8 5.8 5 166.9 6.79 6 167.0 8.05 8 167.1 9.66 9 167.2 10.33 10 167.3 8.77 8 167.4 5.49 5 167.5 2.27 2 168.6 2.32 2 168.7 3.63 3 168.8 6.95 6 168.9 12.17 12 169.0 16.92 16 169.1 18.38 18 169.2 16.21 16 169.3 12.37 12 169.4 8.37 8 169.5 4.54 4 169.6 1.42 1 170.4 0.84 0 170.5 2.16 2 170.6 4.82 4 170.7 9.27 9 170.8 15.16 15 170.9 21.27 21 171.0 26.18 26 171.1 29.11 29 171.2 29.78 29 171.3 27.74 27 171.4 22.28 22 171.5 13.89 13 171.6 5.43 5 171.7 0.54 0 172.4 0.46 0 172.5 1.89 1 172.6 4.78 4 172.7 8.22 8 172.8 11.18 11 172.9 13.18 13 173.0 13.99 13 173.1 13.8 13 173.2 13.53 13 173.3 13.47 13 173.4 12.07 12 173.5 8.04 8 173.6 3.04 3 174.5 1.55 1 174.6 2.79 2 174.7 4.52 4 174.8 6.92 6 174.9 9.79 9 175.0 12.17 12 175.1 13.32 13 175.2 13.71 13 175.3 13.9 13 175.4 12.78 12 175.5 9.03 9 175.6 3.86 3 176.7 2.01 2 176.8 3.09 3 176.9 4.1 4 177.0 5.22 5 177.1 6.25 6 177.2 6.5 6 177.3 5.41 5 177.4 3.34 3 178.7 1.28 1 178.8 3.48 3 178.9 5.9 5 179.0 6.89 6 179.1 5.75 5 179.2 3.49 3 180.6 0.43 0 180.7 2.06 2 180.8 5.67 5 180.9 10.45 10 181.0 13.82 13 181.1 13.6 13 181.2 10.47 10 181.3 7.03 7 181.4 4.73 4 181.5 2.91 2 182.6 2.08 2 182.7 3.92 3 182.8 6.7 6 182.9 9.75 9 183.0 12.39 12 183.1 14.14 14 183.2 14.19 14 183.3 11.58 11 183.4 6.86 6 183.5 2.34 2 184.4 1.33 1 184.5 2.56 2 184.6 4.67 4 184.7 7.23 7 184.8 10.01 9 184.9 13.51 13 185.0 17.95 17 185.1 22.07 22 185.2 23.7 23 185.3 21.27 21 185.4 15.08 15 185.5 7.53 7 185.6 1.94 1 186.4 0.34 0 186.5 2.14 2 186.6 6.14 6 186.7 13.31 13 186.8 23.36 23 186.9 34.47 34 187.0 42.99 42 187.1 45.94 45 187.2 43.82 43 187.3 38.68 38 187.4 30.59 30 187.5 19.23 19 187.6 7.6 7 187.7 1.25 1 188.6 1.43 1 188.7 3.24 3 188.8 5.0 4 188.9 6.08 6 189.0 6.64 6 189.1 7.03 7 189.2 6.89 6 189.3 5.5 5 189.4 3.08 3 190.8 1.84 1 190.9 3.43 3 191.0 4.79 4 191.1 5.13 5 191.2 4.25 4 191.3 2.7 2 192.7 2.33 2 192.8 3.38 3 192.9 4.55 4 193.0 5.85 5 193.1 6.7 6 193.2 6.25 6 193.3 4.41 4 193.4 2.11 2 194.4 0.69 0 194.5 2.22 2 194.6 4.1 4 194.7 5.4 5 194.8 5.8 5 194.9 5.94 5 195.0 6.96 6 195.1 9.28 9 195.2 11.5 11 195.3 11.29 11 195.4 7.99 7 195.5 3.58 3 196.4 1.23 1 196.5 2.63 2 196.6 4.59 4 196.7 7.43 7 196.8 11.13 11 196.9 14.85 14 197.0 17.49 17 197.1 18.64 18 197.2 18.63 18 197.3 17.51 17 197.4 14.66 14 197.5 9.91 9 197.6 4.7 4 197.7 1.16 1 198.6 1.81 1 198.7 3.11 3 198.8 4.52 4 198.9 5.21 5 199.0 5.54 5 199.1 7.29 7 199.2 10.46 10 199.3 11.85 11 199.4 8.99 8 199.5 3.77 3 200.7 3.7 3 200.8 5.01 5 200.9 7.02 7 201.0 9.78 9 201.1 12.33 12 201.2 13.25 13 201.3 11.97 11 201.4 8.92 8 201.5 5.11 5 201.6 1.78 1 203.0 4.07 4 203.1 5.28 5 203.2 6.42 6 203.3 6.73 6 203.4 5.6 5 203.5 3.29 3 208.6 2.26 2 208.7 3.59 3 208.8 5.45 5 208.9 7.4 7 209.0 8.85 8 209.1 9.54 9 209.2 9.54 9 209.3 8.91 8 209.4 7.44 7 209.5 5.04 5 209.6 2.34 2 210.6 2.72 2 210.7 3.81 3 210.8 5.83 5 210.9 9.05 9 211.0 12.54 12 211.1 14.7 14 211.2 14.73 14 211.3 13.03 13 211.4 10.16 10 211.5 6.46 6 211.6 2.76 2 212.6 0.78 0 212.7 2.46 2 212.8 5.37 5 212.9 7.97 7 213.0 8.13 8 213.1 5.58 5 213.2 2.49 2 214.7 2.86 2 214.8 4.56 4 214.9 7.61 7 215.0 10.75 10 215.1 11.95 11 215.2 10.61 10 215.3 8.13 8 215.4 5.83 5 215.5 3.72 3 215.6 1.64 1 216.7 1.64 1 216.8 3.04 3 216.9 5.22 5 217.0 7.39 7 217.1 8.76 8 217.2 9.03 9 217.3 7.99 7 217.4 5.54 5 217.5 2.5 2 218.6 1.06 1 218.7 2.22 2 218.8 3.79 3 218.9 5.43 5 219.0 6.37 6 219.1 5.85 5 219.2 4.01 4 219.3 1.9 1 220.8 0.91 0 220.9 2.39 2 221.0 5.17 5 221.1 7.75 7 221.2 8.4 8 221.3 6.81 6 221.4 4.08 4 221.5 1.59 1 222.9 3.14 3 223.0 4.49 4 223.1 6.14 6 223.2 6.98 6 223.3 6.17 6 223.4 3.99 3 223.5 1.7 1 226.7 0.84 0 226.8 2.59 2 226.9 4.34 4 227.0 4.65 4 227.1 3.72 3 227.2 3.02 3 227.3 3.02 3 227.4 2.71 2 227.5 1.56 1 227.6 0.4 0 227.7 0.06 0 227.8 0.11 0 227.9 0.24 0 228.0 0.24 0 228.1 0.17 0 228.2 0.14 0 228.3 0.25 0 228.4 0.68 0 228.5 1.37 1 228.6 1.99 1 228.7 2.37 2 228.8 2.98 2 228.9 4.49 4 229.0 6.77 6 229.1 8.69 8 229.2 9.0 8 229.3 7.29 7 229.4 4.37 4 229.5 1.7 1 232.7 1.19 1 232.8 3.09 3 232.9 6.54 6 233.0 10.11 10 233.1 11.38 11 233.2 9.35 9 233.3 5.55 5 233.4 2.22 2 236.7 0.92 0 236.8 2.59 2 236.9 4.61 4 237.0 6.26 6 237.1 6.88 6 237.2 6.06 6 237.3 3.98 3 237.4 1.66 1 260.6 1.27 1 260.7 3.07 3 260.8 4.89 4 260.9 5.76 5 261.0 6.27 6 261.1 7.63 7 261.2 9.29 9 261.3 9.29 9 261.4 6.89 6 261.5 3.55 3 262.5 1.55 1 262.6 2.99 2 262.7 5.04 5 262.8 7.34 7 262.9 10.19 10 263.0 13.64 13 263.1 16.76 16 263.2 18.63 18 263.3 18.87 18 263.4 16.7 16 263.5 11.55 11 263.6 5.05 5 263.7 0.65 0 272.6 1.62 1 272.7 2.86 2 272.8 4.39 4 272.9 5.94 5 273.0 6.84 6 273.1 6.58 6 273.2 5.49 5 273.3 4.43 4 273.4 3.57 3 273.5 2.49 2 276.6 2.89 2 276.7 3.53 3 276.8 5.48 5 276.9 9.73 9 277.0 15.42 15 277.1 20.43 20 277.2 23.16 23 277.3 22.73 22 277.4 18.49 18 277.5 11.23 11 277.6 3.97 3 280.8 1.0 0 280.9 2.16 2 281.0 3.77 3 281.1 5.04 5 281.2 5.05 5 281.3 3.7 3 286.6 1.98 1 286.7 3.08 3 286.8 4.79 4 286.9 6.62 6 287.0 8.31 8 287.1 9.88 9 287.2 10.77 10 287.3 9.86 9 287.4 6.92 6 287.5 3.29 3 294.7 0.92 0 294.8 2.05 2 294.9 3.87 3 295.0 6.0 5 295.1 7.75 7 295.2 8.51 8 295.3 8.16 8 295.4 6.92 6 295.5 5.07 5 295.6 2.86 2 304.5 1.28 1 304.6 2.92 2 304.7 5.66 5 304.8 9.69 9 304.9 14.17 14 305.0 17.92 17 305.1 21.09 21 305.2 24.38 24 305.3 26.33 26 305.4 23.85 23 305.5 16.31 16 305.6 7.3 7 305.7 1.67 1 322.4 1.67 1 322.5 5.63 5 322.6 11.55 11 322.7 19.12 19 322.8 31.22 31 322.9 49.91 49 323.0 71.25 71 323.1 88.04 87 323.2 97.39 97 323.3 100.0 99 323.4 92.84 92 323.5 71.11 71 323.6 39.13 39 323.7 11.04 11 323.8 0.01 0 332.6 2.11 2 332.7 4.89 4 332.8 10.99 10 332.9 19.8 19 333.0 28.08 28 333.1 32.27 32 333.2 31.94 31 333.3 28.94 28 333.4 23.86 23 333.5 15.99 15 333.6 6.92 6 333.7 0.68 0 340.3 0.08 0 340.4 0.86 0 340.5 5.02 5 340.6 11.33 11 340.7 17.58 17 340.8 24.07 24 340.9 35.41 35 341.0 54.88 54 341.1 77.41 77 341.2 92.48 92 341.3 93.0 92 341.4 78.6 78 341.5 53.53 53 341.6 25.85 25 341.7 5.28 5 341.8 0.0 0 350.3 0.27 0 350.4 2.59 2 350.5 7.75 7 350.6 14.73 14 350.7 22.51 22 350.8 32.32 32 350.9 45.75 45 351.0 61.7 61 351.1 76.9 76 351.2 88.18 88 351.3 91.39 91 351.4 81.0 80 351.5 56.14 56 351.6 26.0 25 351.7 3.93 3 368.7 3.26 3 368.8 4.66 4 368.9 7.45 7 369.0 12.54 12 369.1 19.59 19 369.2 25.61 25 369.3 26.36 26 369.4 20.34 20 369.5 10.74 10 369.6 2.75 2 //