MassBank Record: FFF00192



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

ACCESSION: FFF00192
RECORD_TITLE: Epiandrosterone; 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$NAME: Epiandrosterone CH$NAME: 3-beta-Hydroxy-5alpha-androstan-17-one CH$COMPOUND_CLASS: Natural Product; Steroid hormone CH$FORMULA: C19H30O2 CH$EXACT_MASS: 290.22458 CH$SMILES: OC(C4)CC([H])(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(=O)C1 CH$IUPAC: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14?,15?,16?,18?,19?/m0/s1 CH$LINK: CAS 481-29-8 CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-N
AC$INSTRUMENT: API2000 AC$INSTRUMENT_TYPE: LC-APPI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821050 min
MS$FOCUSED_ION: BASE_PEAK 255.199997 MS$FOCUSED_ION: ION_TYPE [M-2H2O+H]+,[M-H2O+H]+
PK$SPLASH: splash10-0ab9-0190000000-1957ae85f07facd7a289 PK$NUM_PEAK: 157 PK$PEAK: m/z int. rel.int. 151.184748 8264554.500000 10 152.209332 1366796.500000 2 153.136466 4231692.000000 5 154.098700 769057.500000 1 155.111229 3897808.500000 5 156.101663 1127951.000000 1 157.144038 5914865.000000 7 158.127851 2873649.000000 3 159.167574 19390253.000000 23 161.202702 58937315.500000 69 162.213421 9131151.000000 11 163.160409 14308221.000000 17 164.206624 2152110.500000 3 165.128668 2761104.000000 3 166.194872 1463085.000000 2 167.150801 4679371.000000 5 169.130504 5157062.000000 6 170.098324 2088335.000000 2 171.136619 10149058.000000 12 173.166209 21671165.000000 25 175.165497 49037107.000000 57 176.203564 7437974.000000 9 177.202278 8233292.000000 10 178.196973 1983293.000000 2 179.166737 5947378.000000 7 181.141051 8020707.000000 9 182.176299 1925770.000000 2 183.124915 8893556.000000 10 184.164753 2373449.000000 3 185.151439 13560422.000000 16 186.112529 3313825.000000 4 187.141280 12877649.000000 15 188.130079 3458883.000000 4 189.165048 14912212.500000 17 190.114425 2826130.000000 3 191.173112 7022808.000000 8 192.164265 2169617.500000 3 193.172468 6695177.000000 8 194.205403 2453481.000000 3 195.179074 8354590.500000 10 197.133770 25010000.000000 29 198.196358 6317526.000000 7 199.182758 28372594.500000 33 200.215848 5602240.000000 7 201.182456 17962182.000000 21 203.145211 8773508.000000 10 205.134635 5412164.000000 6 206.128814 1401810.500000 2 207.141764 5542216.000000 6 209.152575 9081131.000000 11 211.149113 10439174.000000 12 213.165742 19295215.000000 23 214.205307 4854441.000000 6 215.190861 18226037.500000 21 216.212460 3904061.000000 5 217.191497 9029860.500000 11 218.156683 3106242.000000 4 219.126989 5532212.000000 6 221.160407 6392556.000000 7 222.109146 1463085.000000 2 223.136710 7405461.000000 9 224.189926 2035814.000000 2 225.181735 7723088.000000 9 227.195574 10059022.000000 12 228.216320 3961584.000000 5 229.174564 12683821.500000 15 231.161409 12883901.500000 15 233.159843 9915214.500000 12 235.126225 8802269.500000 10 237.157351 23324326.000000 27 238.125067 6505101.000000 8 239.172625 12178619.500000 14 241.252098 8525909.000000 10 243.222039 12289914.000000 14 244.227127 4439275.000000 5 245.169045 15892604.500000 19 247.170235 21342283.500000 25 249.179224 30673514.500000 36 251.195068 34384998.500000 40 253.228372 60859334.000000 71 255.246811 856217350.000000 999 259.171236 12233641.500000 14 261.140031 14725888.000000 17 263.156206 16824227.000000 20 265.189605 18983840.500000 22 267.187527 25826576.500000 30 269.208387 33428366.000000 39 271.233015 71185963.000000 83 273.306079 465768733.000000 543 274.290590 120985875.000000 141 277.154881 6840235.000000 8 279.172647 12810122.000000 15 281.224069 7959432.500000 9 283.205655 16186472.000000 19 285.235391 26132949.000000 30 287.251569 35554216.000000 41 288.306950 7449228.500000 9 289.291187 8882301.500000 10 291.303467 20199326.500000 24 293.211931 3626450.000000 4 295.209626 3585183.500000 4 297.250912 4595587.500000 5 299.233620 5229591.000000 6 301.267309 5194577.000000 6 302.244621 1720688.000000 2 303.335036 7295417.000000 9 305.367797 9397507.500000 11 306.355306 2898659.000000 3 307.267563 2791116.000000 3 309.263016 2569777.500000 3 311.249089 3016206.000000 4 313.275662 3874049.000000 5 315.265979 4241696.000000 5 317.240390 2563525.000000 3 319.294395 2543517.000000 3 320.279205 1130452.000000 1 321.271819 2289665.500000 3 323.253969 2488495.000000 3 325.240802 2623549.000000 3 327.250211 2662314.500000 3 328.312466 1374299.500000 2 329.230877 1968287.000000 2 331.240469 2027060.500000 2 333.247208 1880752.000000 2 335.263283 3153761.000000 4 337.293140 2807372.500000 3 339.280785 3345087.500000 4 341.312101 3761504.000000 4 343.279893 2338435.000000 3 345.283639 2858643.000000 3 347.289054 3130001.500000 4 349.285974 2746098.000000 3 351.297274 2934923.500000 3 353.316028 3713985.000000 4 355.272673 4164165.000000 5 357.308423 3533913.000000 4 359.319595 4429271.000000 5 361.317388 7047818.000000 8 363.309524 2888655.000000 3 365.321808 2477240.500000 3 367.403176 4803170.500000 6 369.461607 14103139.000000 16 373.343242 2701080.000000 3 375.346801 3361344.000000 4 377.334655 3377600.500000 4 379.361959 4391756.000000 5 381.369671 2622298.500000 3 383.425878 4629351.000000 5 385.436462 3930321.500000 5 386.975919 3333833.000000 4 389.352616 1530612.000000 2 391.398813 3789015.000000 4 393.337521 1493097.000000 2 394.372579 620248.000000 1 395.363167 1358043.000000 2 397.370087 1291766.500000 2 399.383127 3423869.000000 4 //

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