ACCESSION: MSBNK-RIKEN_NPDepo-CB000375
RECORD_TITLE: Androstenedione; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Animal
COMMENT: SubCategory_DNP: The sterols, Androstanes

CH$NAME: Androstenedione
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C₁₉H₂₆O₂
CH$EXACT_MASS: 286.4179
CH$SMILES: C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C)C1CCC2=O
CH$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: CHEMSPIDER 5898
CH$LINK: INCHIKEY AEMFNILZOJDQLW-WFZCBACDSA-N
CH$LINK: COMPTOX DTXSID40424100
CH$LINK: PUBCHEM CID:6432604

AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0091000000-132daaff3da287a768f7
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  101.1000 322871.5625 34
  101.2000 261776.2813 27
  101.3000 246396.4375 26
  101.4000 228470.8906 24
  108.5000 566510.1875 61
  108.6000 928414.8125 101
  108.7000 1157310.1250 127
  108.8000 1999809.5000 220
  108.9000 976145.3750 107
  109.0000 991949.7500 108
  109.1000 1044983.6875 114
  109.2000 1008708.5625 110
  109.3000 1116473.5000 122
  109.4000 1208753.1250 132
  109.5000 416529.7813 45
  110.1000 216273.0156 22
  123.3000 203226.6406 21
  172.7000 209484.6563 22
  172.8000 241305.0938 25
  210.6000 204499.4688 21
  210.7000 251699.7656 26
  250.9000 277898.6250 29
  268.6000 219561.1406 23
  268.7000 289460.0313 31
  268.8000 529810.5000 57
  268.9000 297945.5313 31
  269.4000 226349.4844 24
  269.5000 229001.2188 24
  286.4000 1087304.8750 119
  286.5000 5783686.0000 638
  286.6000 7648257.5000 845
  286.7000 8886180.0000 982
  286.8000 8918955.0000 985
  286.9000 8820525.0000 975
  287.0000 9037010.0000 999
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  287.2000 8631618.0000 954
  287.3000 8262183.0000 913
  287.4000 7663320.5000 846
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  328.6000 568631.5625 61
  328.7000 441137.5625 47
  328.8000 408256.4688 44
  328.9000 376542.0000 40
  329.0000 320750.1563 34
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  329.2000 348540.0313 37
  329.3000 327856.7500 35
  329.4000 227198.0625 24
  572.6000 241517.2813 25
  572.7000 611907.3750 66
  572.8000 891927.3125 97
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  573.6000 262306.6563 28
  573.7000 276519.7813 29
  573.8000 387679.2500 41
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  574.0000 346312.6250 37
  574.1000 388315.5938 41
  574.2000 392027.9688 42
  574.3000 378027.0000 40
  574.4000 307809.8750 33
  574.5000 206302.6094 21
//