MassBank Record: FFF00264



 Androstenedione; LC-APPI-QQ; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00264
RECORD_TITLE: Androstenedione; LC-APPI-QQ; MS
DATE: 2016.01.19 (2011.04.05, 2011.06.20)
AUTHORS: , Atsushi Yamamoto, PFOS.jp
LICENSE: CC BY-SA
COPYRIGHT: PFOS.jp
COMMENT: Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.

CH$NAME: Androstenedione CH$COMPOUND_CLASS: Natural Product; Steroid hormone CH$FORMULA: C19H26O2 CH$EXACT_MASS: 286.19328 CH$SMILES: O=C(C4)C=C(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(=O)C1 CH$IUPAC: InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14?,15?,16?,18-,19-/m0/s1 CH$LINK: CAS 63-05-8 CH$LINK: LIPIDBANK SST0028 CH$LINK: INCHIKEY AEMFNILZOJDQLW-WFZCBACDSA-N
AC$INSTRUMENT: API2000 AC$INSTRUMENT_TYPE: LC-APPI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821083 min
MS$FOCUSED_ION: BASE_PEAK 287.200012 MS$FOCUSED_ION: ION_TYPE [M+H]+
PK$SPLASH: splash10-000i-0191000000-81b8b43e6ddee164e040 PK$NUM_PEAK: 152 PK$PEAK: m/z int. rel.int. 151.155306 3570177.500000 5 153.156388 5726039.500000 7 154.143033 1121698.500000 1 155.108810 4201680.000000 5 156.117084 900360.000000 1 157.145578 6079931.000000 8 158.117086 3981592.000000 5 159.144508 6830231.000000 9 161.166810 15982640.500000 21 163.127358 10457931.500000 14 164.190263 1335534.000000 2 165.139204 2513505.000000 3 166.164601 766556.500000 1 167.136589 3175019.500000 4 168.111181 2013305.000000 3 169.095781 4860693.500000 6 170.104231 2542266.500000 3 171.117707 11702179.000000 15 172.135058 3673969.000000 5 173.127146 10406661.000000 14 174.118362 2656062.000000 3 175.107845 6535113.000000 9 176.156451 1085434.000000 1 177.161464 5977390.000000 8 178.153749 1484343.500000 2 179.161966 5418416.500000 7 181.129872 12922667.000000 17 183.116725 13128999.500000 17 184.167361 3486394.000000 5 185.129786 10562973.500000 14 186.113158 3754001.000000 5 187.112093 13525408.000000 18 189.123052 5598488.500000 7 191.160058 5178320.500000 7 192.168177 1241746.500000 2 193.156833 7091585.500000 9 195.152161 9028610.000000 12 197.130913 31467582.000000 41 198.179566 9203680.000000 12 199.144138 15188573.000000 20 201.138509 7514254.500000 10 202.118894 2488495.000000 3 203.124707 5749799.000000 8 205.124097 5781061.500000 8 206.111490 1066676.500000 1 207.129661 5902360.000000 8 209.159822 13495396.000000 18 211.150878 16440323.500000 21 213.139893 11729690.000000 15 214.188655 3967836.500000 5 215.144151 10776809.000000 14 216.182092 2080832.000000 3 217.142889 3974089.000000 5 219.128860 5208332.500000 7 221.144862 10099038.000000 13 222.120621 2898659.000000 4 223.134456 10804320.000000 14 225.183731 12144856.000000 16 227.186486 14120646.000000 18 228.185813 3613945.000000 5 229.163941 11194476.000000 15 231.144865 11129450.000000 15 233.129466 10584232.000000 14 235.115070 11318275.500000 15 237.148780 38442871.000000 50 239.154746 15082280.500000 20 241.208279 7884402.500000 10 243.209850 7668066.000000 10 245.148138 11921016.500000 16 247.134916 16066424.000000 21 249.135241 17415713.500000 23 251.151272 13657961.000000 18 253.162953 10416665.000000 14 255.153601 13265304.000000 17 257.147190 26923265.000000 35 259.159441 23869544.000000 31 261.149110 63966826.500000 83 263.155062 55254593.000000 72 265.175879 50981634.500000 67 267.179847 71429810.500000 93 269.208623 72950418.500000 95 271.187968 19392754.000000 25 273.193568 18039713.000000 24 275.162240 16187722.500000 21 277.150830 16266504.000000 21 279.158916 26548115.000000 35 281.211412 19417764.000000 25 283.199409 92259389.000000 120 285.225151 275687731.000000 360 287.261032 765808701.000000 999 291.203149 7465485.000000 10 293.187172 5342136.000000 7 295.180137 5464685.000000 7 297.237019 8188274.000000 11 299.228742 12765104.000000 17 301.298378 87082319.000000 114 303.283030 8105741.000000 11 304.301319 2275910.000000 3 305.252285 4214185.000000 5 307.223120 4207932.500000 5 309.234606 5731041.500000 7 311.230554 3945327.500000 5 313.233167 4249199.000000 6 315.258590 8443376.000000 11 317.218402 3927820.500000 5 319.233291 2959933.500000 4 321.222486 2936174.000000 4 322.221841 870348.000000 1 323.207281 2713585.000000 4 325.194139 3114995.500000 4 327.182805 2603541.000000 3 328.213621 807823.000000 1 329.221601 2280912.000000 3 331.194628 2280912.000000 3 333.276398 4853190.500000 6 334.259198 1373049.000000 2 335.209343 2569777.500000 3 337.231565 2828631.000000 4 339.188480 2583533.000000 3 341.212396 1937024.500000 3 343.184322 1435574.000000 2 345.226098 1964535.500000 3 347.259964 4116646.000000 5 349.234280 3348839.000000 4 350.242036 2260904.000000 3 351.214560 2748599.000000 4 353.246089 2365946.000000 3 355.196789 2103341.000000 3 357.259946 1816976.500000 2 359.248105 2110844.000000 3 361.225531 1880752.000000 2 363.229074 1703181.000000 2 365.221650 2425970.000000 3 367.272360 1918267.000000 3 369.276708 1739445.500000 2 371.310642 2185874.000000 3 373.306634 2488495.000000 3 375.314079 5009503.000000 7 377.274744 2198379.000000 3 379.273734 1333033.000000 2 380.253572 560224.000000 1 381.285379 1385554.000000 2 382.300430 582733.000000 1 383.274045 1310524.000000 2 385.344126 1745698.000000 2 387.355904 1440576.000000 2 389.338003 1803221.000000 2 391.365430 3906562.000000 5 393.349102 3623949.000000 5 394.307700 1331782.500000 2 397.292893 774059.500000 1 399.307975 877851.000000 1 //