ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011662
RECORD_TITLE: 19-NORANDROST-4-ENE-3,17-DIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 19-NORANDROST-4-ENE-3,17-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₄O₂
CH$EXACT_MASS: 272.17763
CH$SMILES: O=C(C4)C=C(C3)C([H])(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(=O)C1
CH$IUPAC: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1
CH$LINK: INCHIKEY JRIZOGLBRPZBLQ-QXUSFIETSA-N
CH$LINK: COMPTOX DTXSID50862392

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$SPLASH: splash10-00di-2950000000-5865fd40ca280de239b7
PK$NUM_PEAK: 148
PK$PEAK: m/z int. rel.int.
  40 1.64 16
  41 2.19 22
  42 2.67 27
  43 7.21 72
  44 5.08 51
  45 4.78 48
  55 6.01 60
  57 1.34 13
  59 11.3 113
  67 6.57 66
  68 1.74 17
  69 2.38 24
  71 1 10
  73 5.52 55
  75 5.25 53
  77 1.39 14
  78 1.25 13
  79 8.81 88
  80 3.11 31
  81 9.4 94
  82 2.3 23
  83 3.03 30
  89 5.07 51
  91 9.84 98
  92 3.52 35
  93 11.61 116
  94 5.55 56
  95 5.92 59
  96 3.96 40
  97 23.5 235
  98 2.05 21
  103 1.14 11
  104 2.71 27
  105 13.03 130
  106 9.9 99
  107 17.04 170
  108 9.76 98
  109 12.99 130
  110 49.58 496
  111 6.31 63
  115 1.2 12
  116 1.08 11
  117 6.08 61
  118 4.26 43
  119 12.16 122
  120 11.38 114
  121 7.86 79
  122 15.32 153
  123 11.24 112
  124 3.88 39
  125 4.67 47
  129 3.16 32
  130 2.07 21
  131 6.66 67
  132 7.04 70
  133 8.35 84
  134 12.17 122
  135 9.66 97
  136 3.85 39
  137 1.55 16
  140 4.52 45
  141 2.66 27
  142 2.47 25
  143 3.78 38
  144 6.97 70
  145 11.45 115
  146 6.75 68
  147 14.54 145
  148 12.14 121
  149 8.73 87
  150 6.22 62
  151 2.94 29
  153 4.78 48
  154 2.65 27
  155 3.05 31
  156 6.4 64
  157 3.98 40
  158 4.23 42
  159 9.32 93
  160 9.72 97
  161 5.89 59
  162 5.44 54
  163 4.67 47
  164 3.56 36
  165 1.11 11
  167 2.01 20
  169 2.66 27
  170 3.42 34
  171 3.94 39
  172 6.46 65
  173 8.4 84
  174 10.68 107
  175 3.56 36
  176 3.53 35
  177 1.37 14
  181 1.76 18
  182 1.82 18
  183 4.33 43
  184 2.48 25
  185 3.48 35
  186 32.51 325
  187 11.35 114
  188 6 60
  189 1.4 14
  190 1.99 20
  193 1.37 14
  194 1.04 10
  195 3.05 31
  196 2.42 24
  197 4.95 50
  198 9.6 96
  199 4.25 43
  200 3.73 37
  201 6.62 66
  202 4.72 47
  203 1.58 16
  207 1.47 15
  209 3.02 30
  210 4.05 41
  211 3.03 30
  212 6.09 61
  213 9.1 91
  214 3.47 35
  215 10.59 106
  216 14.37 144
  217 3.25 33
  221 1.75 18
  225 1.35 14
  226 4.41 44
  227 1.42 14
  228 27.48 275
  229 8.46 85
  230 8.16 82
  231 2.16 22
  236 1.39 14
  237 1.03 10
  239 2.74 27
  243 1.62 16
  244 22.34 223
  245 4.78 48
  254 8.56 86
  255 3.21 32
  257 3.41 34
  270 1.98 20
  271 2.14 21
  272 99.99 999
  273 21.54 215
  274 2.84 28
//