ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011661
RECORD_TITLE: ETHINYLESTRADIOL-3-TMS; 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$NAME: ETHINYLESTRADIOL-3-TMS
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₃₂O₂Si
CH$EXACT_MASS: 368.21716
CH$SMILES: C[Si](C)(C)Oc(c4)cc(C3)c(c4)C([H])(C2)C([H])(C3)C(C1)C(C)(C2)C(O)(C#C)C1
CH$IUPAC: InChI=1S/C23H32O2Si/c1-6-23(24)14-12-21-20-9-7-16-15-17(25-26(3,4)5)8-10-18(16)19(20)11-13-22(21,23)2/h1,8,10,15,19-21,24H,7,9,11-14H2,2-5H3/t19-,20-,21?,22+,23+/m1/s1
CH$LINK: INCHIKEY OPWNBYUFDFXXHX-TYPVITMKSA-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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014r-0096000000-8b97e245d57f485618d8
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
  32 10.33 103
  40 1.57 16
  68 1.22 12
  73 8.62 86
  81 1.14 11
  93 1.26 13
  95 1.17 12
  97 1.63 16
  105 1.46 15
  107 1.56 16
  109 1.11 11
  119 1.09 11
  121 2.1 21
  124 1.33 13
  136 2.1 21
  137 1.18 12
  163 2.19 22
  177 4.8 48
  178 1.13 11
  179 3.91 39
  180 2.5 25
  189 1.39 14
  192 4.7 47
  193 2.96 30
  194 1.42 14
  201 1.25 13
  203 3.82 38
  204 1.26 13
  205 13.78 138
  206 3.41 34
  207 2.13 21
  215 1.34 13
  216 1.73 17
  217 5.65 57
  218 21 210
  219 7.24 72
  220 2.36 24
  229 5.22 52
  230 4.63 46
  231 14.42 144
  232 24.94 249
  233 6.3 63
  234 1.68 17
  242 2.66 27
  243 4.06 41
  244 14.42 144
  245 6.57 66
  246 2.29 23
  255 1.4 14
  256 1.44 14
  257 17.31 173
  258 7.83 78
  259 2.2 22
  267 1.07 11
  268 1.03 10
  269 2.37 24
  270 2.03 20
  271 3.76 38
  272 4.69 47
  273 1.3 13
  281 1.94 19
  282 2.11 21
  283 4.8 48
  284 3.25 33
  285 99.99 999
  286 28.33 283
  287 9.46 95
  288 1.63 16
  296 1.07 11
  297 1.54 15
  298 3 30
  299 2.2 22
  300 22.2 222
  301 6 60
  302 1.45 15
  309 1.36 14
  311 3.03 30
  312 1.14 11
  313 1.16 12
  314 1.8 18
  322 1.17 12
  325 1.09 11
  327 4.15 42
  328 1.28 13
  340 2.41 24
  341 1.96 20
  342 46.88 469
  343 13.61 136
  344 3.93 39
  350 2.38 24
  352 1.22 12
  353 7.55 76
  354 2.56 26
  355 1.06 11
  367 1.75 18
  368 97.56 976
  369 29.6 296
  370 7.68 77
  371 1.56 16
//