ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008165
RECORD_TITLE: TESTOSTERONE METHOXYMETHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: TESTOSTERONE METHOXYMETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₂O₃
CH$EXACT_MASS: 332.23514
CH$SMILES: COCOC(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C3)C(C)(C2)C(=CC(=O)C2)C1
CH$IUPAC: InChI=1S/C21H32O3/c1-20-10-8-15(22)12-14(20)4-5-16-17-6-7-19(24-13-23-3)21(17,2)11-9-18(16)20/h12,16-19H,4-11,13H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1
CH$LINK: INCHIKEY DQEDBYWBOBVTFT-PXQJOHHUSA-N

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-9411000000-61a97ddf49c3d5f5d746
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  15 1.91 19
  27 1.98 20
  29 3.14 31
  39 3.16 32
  41 10.53 105
  43 1.71 17
  45 99.99 999
  46 2.12 21
  53 4.24 42
  55 9.11 91
  57 1.08 11
  65 2.3 23
  66 1.07 11
  67 6.02 60
  77 6.62 66
  78 1.83 18
  79 9.35 94
  80 1.4 14
  81 5.43 54
  91 9.94 99
  92 1.72 17
  93 6.89 69
  94 1.59 16
  95 5.16 52
  97 1.73 17
  105 6.43 64
  106 1.49 15
  107 5.63 56
  108 1.38 14
  109 2.23 22
  111 1.43 14
  115 1.34 13
  117 2.25 23
  119 4.67 47
  120 1.29 13
  121 4.04 40
  122 2.15 22
  123 5.57 56
  124 4.89 49
  129 1.05 11
  131 2.5 25
  133 4.31 43
  134 1.99 20
  135 2.48 25
  136 1.28 13
  137 1.74 17
  138 1.7 17
  143 1.23 12
  145 4.2 42
  146 1.89 19
  147 6.17 62
  148 2.35 24
  149 3.42 34
  157 1.17 12
  159 2.06 21
  161 2.09 21
  163 1.57 16
  168 1.74 17
  171 1.01 10
  173 1.71 17
  174 1 10
  175 1.32 13
  177 1.11 11
  185 1.19 12
  187 1.22 12
  189 1.25 13
  213 1.05 11
  227 2.55 26
  228 1.44 14
  229 1.11 11
  243 2.13 21
  245 1.21 12
  258 1.84 18
  259 0.99 10
  269 2.41 24
  270 2.93 29
  271 1.84 18
  287 8.65 87
  288 1.85 19
  300 12.31 123
  301 2.79 28
  304 1.85 19
  332 8.13 81
  333 2.2 22
//