MassBank Record: FFF00257



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

ACCESSION: FFF00257
RECORD_TITLE: Androsterone; 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$NAME: Androsterone CH$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$LINK: CAS 53-41-8 CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N
AC$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$FOCUSED_ION: BASE_PEAK 255.300003 MS$FOCUSED_ION: ION_TYPE [M+H]+,[M-H2O+H]+
PK$SPLASH: splash10-0ab9-0190000000-1e4c32744c9de3efca8d PK$NUM_PEAK: 148 PK$PEAK: m/z int. rel.int. 151.205037 7794366.500000 8 152.210043 871598.500000 1 153.116016 2467236.500000 3 155.117778 2869897.500000 3 156.114840 741546.500000 1 157.154273 5414665.000000 6 158.111570 2183373.000000 2 159.172595 19566573.500000 20 161.192002 44315219.000000 45 163.175373 12237393.000000 12 164.198989 1483093.000000 2 165.125778 1887004.500000 2 166.194355 465186.000000 1 167.133660 3566426.000000 4 169.101551 3387604.500000 3 170.125040 1573129.000000 2 171.140524 10939374.000000 11 173.168143 20199326.500000 21 174.141704 3934073.000000 4 175.153030 15452428.500000 16 176.188520 2222138.500000 2 177.205658 6984042.500000 7 178.191076 1232993.000000 1 179.161892 3543917.000000 4 181.142004 6662664.000000 7 183.133904 5908612.500000 6 184.180266 1698179.000000 2 185.161835 13492895.000000 14 186.125448 2928671.000000 3 187.127776 10764304.000000 11 189.183091 15131050.000000 15 191.173111 8408362.000000 9 192.174320 1791966.500000 2 193.176007 5952380.000000 6 194.183304 2127100.500000 2 195.168599 6881501.500000 7 197.147224 17844635.000000 18 199.178375 39045612.000000 40 200.213893 7002800.000000 7 201.192256 19861691.500000 20 202.154577 3906562.000000 4 203.150937 6336283.500000 6 205.124536 4709383.000000 5 207.139513 6212484.000000 6 209.164842 8294566.500000 8 211.157020 9770156.500000 10 213.180031 23270554.500000 24 214.206224 4781912.000000 5 215.189069 24367243.000000 25 217.196571 9555070.500000 10 219.133541 6002400.000000 6 221.146050 5539715.000000 6 222.137934 1658163.000000 2 223.141898 7733092.000000 8 225.205108 9057371.500000 9 227.210541 10795566.500000 11 228.209138 4119147.000000 4 229.180324 13804269.500000 14 231.159320 18179769.000000 19 233.159420 11469586.000000 12 235.120977 8929820.500000 9 237.146203 18247296.000000 19 238.139941 4718136.500000 5 239.194189 13945576.000000 14 241.265247 14033111.000000 14 242.214653 5154561.000000 5 243.213297 16909261.000000 17 245.164285 24887451.000000 25 247.162901 27741092.000000 28 249.182496 45980885.000000 47 251.185669 44624092.500000 45 253.231722 79006590.000000 81 255.247484 980241940.000000 999 259.169911 15509951.500000 16 261.132165 14695876.000000 15 263.141067 15608741.000000 16 265.164667 18736241.500000 19 267.184063 25281358.500000 26 269.206702 38474133.500000 39 271.220154 72571517.000000 74 273.295516 548563087.500000 559 277.153697 7508002.000000 8 279.129810 24329728.000000 25 281.192023 6771457.500000 7 283.193023 12688823.500000 13 285.217305 18961331.500000 19 287.240643 20393154.000000 21 289.268507 8695977.000000 9 291.288069 13876798.500000 14 293.190303 3378851.000000 3 295.208489 4124149.000000 4 297.232083 3566426.000000 4 299.206469 10282861.500000 10 301.260679 6042416.000000 6 303.294096 4151660.000000 4 305.348427 7077830.000000 7 307.246385 2213385.000000 2 309.237032 2208383.000000 2 311.230972 1905762.000000 2 313.240951 3053721.000000 3 315.308559 11367045.000000 12 319.274863 1810724.000000 2 321.277515 2324679.500000 2 323.229585 2045818.000000 2 325.198145 1887004.500000 2 327.222042 1690676.000000 2 329.208243 1365546.000000 1 331.210287 1264255.500000 1 333.214747 1780712.000000 2 335.232800 2813625.000000 3 336.261620 1420568.000000 1 337.258466 3323829.000000 3 339.232765 2495998.000000 3 340.242327 1548119.000000 2 341.283790 2329681.500000 2 342.300527 950380.000000 1 343.277063 2060824.000000 2 345.271002 2173369.000000 2 347.237672 1825730.000000 2 348.211541 455182.000000 1 349.271570 2533513.000000 3 351.260983 2493497.000000 3 353.298449 2257152.500000 2 355.274499 3246298.000000 3 357.272285 1750700.000000 2 359.289948 3333833.000000 3 361.291584 6418816.500000 7 363.280460 1740696.000000 2 365.250272 1383053.000000 1 367.276251 1400560.000000 1 369.333908 1888255.000000 2 371.332143 1820728.000000 2 373.321998 1728191.000000 2 375.324005 2385954.000000 2 377.299607 1910764.000000 2 379.341081 3098739.000000 3 380.354465 1120448.000000 1 381.299667 755302.000000 1 382.946434 1438075.000000 1 385.309897 732793.000000 1 387.331715 875350.000000 1 389.316535 937875.000000 1 391.398070 2073329.000000 2 393.327827 862845.000000 1 395.319174 847839.000000 1 396.321673 253851.500000 1 397.279389 655262.000000 1 399.340069 48117989.500000 49 //