ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011416
RECORD_TITLE: 1-DEHYDROXYTESTSTERONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 1-DEHYDROXYTESTSTERONE
CH$NAME: 1,4-ANDROSTADIENE-17BATA-OL-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₆O₂
CH$EXACT_MASS: 286.19328
CH$SMILES: O=C(C([H])=4)C([H])=C(C3)C(C)(C([H])4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C([H])(O)C1
CH$IUPAC: InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
CH$LINK: INCHIKEY RSIHSRDYCUFFLA-DYKIIFRCSA-N
CH$LINK: COMPTOX DTXSID20894201

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-0900000000-0459f76f26e50c1c052a
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  55 1.15 12
  67 1.06 11
  79 1.2 12
  81 2.09 21
  91 1.96 20
  93 4.26 43
  94 1.29 13
  95 1.99 20
  97 1.44 14
  105 2.75 28
  107 4.2 42
  108 5.79 58
  109 2.63 26
  110 1.61 16
  119 2.28 23
  120 1.44 14
  121 11.22 112
  122 99.99 999
  123 10.79 108
  124 1.23 12
  131 1.3 13
  133 3.16 32
  134 5.38 54
  135 3.18 32
  145 1.91 19
  146 1.19 12
  147 8.64 86
  148 1.51 15
  151 2.08 21
  159 1.97 20
  160 1.62 16
  161 1.78 18
  165 1.69 17
  173 1.34 13
  227 1.79 18
  268 0.52 5
  286 6.11 61
  287 1.76 18
//