ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004114
RECORD_TITLE: STANOLONE; 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$NAME: STANOLONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₀O₂
CH$EXACT_MASS: 290.22458
CH$SMILES: O=C(C4)CC([H])(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C([H])(O)C1
CH$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/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
CH$LINK: INCHIKEY NVKAWKQGWWIWPM-ABEVXSGRSA-N
CH$LINK: COMPTOX DTXSID9022364

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-015c-8970000000-ef0c6a4fd9c52be30284
PK$NUM_PEAK: 149
PK$PEAK: m/z int. rel.int.
  17 7.8 78
  18 37.8 378
  27 5.7 57
  28 6.2 62
  29 12.4 124
  31 1.5 15
  39 7 70
  40 0.23 2
  41 4.15 42
  42 3.5 35
  43 21.8 218
  44 0.19 2
  45 1.7 17
  53 15 150
  54 4.1 41
  55 5.09 51
  56 4.3 43
  57 11 110
  58 1.4 14
  65 0.54 5
  66 3.2 32
  67 38.3 383
  68 28 280
  69 1.88 19
  70 2.1 21
  71 8.5 85
  74 1.9 19
  77 1.49 15
  78 3.3 33
  79 31.4 314
  80 9 90
  81 4.4 44
  82 10.6 106
  83 9.9 99
  84 3.2 32
  85 0.28 3
  88 0.16 2
  91 22.5 225
  92 4.8 48
  93 3.18 32
  94 16 160
  95 34.7 347
  96 7.1 71
  97 1.22 12
  98 1.7 17
  99 1.3 13
  103 1.4 14
  104 0.16 2
  105 21.7 217
  106 7.3 73
  107 28.4 284
  108 1.17 12
  109 21.7 217
  110 9.7 97
  111 9.6 96
  112 0.19 2
  115 1.7 17
  117 3.9 39
  118 5 50
  119 1.65 17
  120 7.9 79
  121 27.1 271
  122 16.6 166
  123 3.57 36
  124 26.5 265
  125 4.8 48
  129 1.8 18
  131 0.65 7
  132 3.1 31
  133 12 120
  134 4.8 48
  135 1.36 14
  136 7.8 78
  137 10.2 102
  138 1.7 17
  143 0.23 2
  144 1.6 16
  145 7.4 74
  146 3.7 37
  147 1.18 12
  148 6 60
  149 16.7 167
  150 3.3 33
  151 0.31 3
  157 2.8 28
  158 1.5 15
  159 8.9 89
  160 0.3 3
  161 11.9 119
  162 6.4 64
  163 30.1 301
  164 0.89 9
  165 6 60
  166 3 30
  167 5.4 54
  171 0.22 2
  172 1.4 14
  173 5.8 58
  174 5.2 52
  175 0.87 9
  176 7.2 72
  177 4 40
  178 2.6 26
  179 0.56 6
  185 3 30
  186 1.4 14
  187 3.1 31
  188 0.17 2
  189 8 80
  190 4.6 46
  191 2.1 21
  192 0.13 1
  197 1.2 12
  199 13 130
  200 5.9 59
  201 0.53 5
  202 1.7 17
  203 4.3 43
  204 7.6 76
  205 0.2 2
  213 5.6 56
  214 1.6 16
  215 13.1 131
  216 3.1 31
  217 10.7 107
  218 5.5 55
  219 2.3 23
  220 0.21 2
  228 1.2 12
  229 2.3 23
  230 2.3 23
  231 99.99 999
  232 23.1 231
  233 19 190
  234 3.7 37
  244 0.16 2
  246 18.9 189
  247 10.7 107
  248 2.1 21
  257 0.97 10
  258 1.9 19
  261 1.6 16
  272 10.4 104
  273 0.23 2
  275 7.7 77
  276 1.9 19
  290 89 890
  291 1.88 19
  292 2 20
//