ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006279
RECORD_TITLE: ESTRADIOL 3-(TRIMETHYLSILYL) ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ESTRADIOL 3-(TRIMETHYLSILYL) ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₂O₂Si
CH$EXACT_MASS: 344.21716
CH$SMILES: C[Si](C)(C)Oc(c4)cc(C3)c(c4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(O)C1
CH$IUPAC: InChI=1S/C21H32O2Si/c1-21-12-11-17-16-8-6-15(23-24(2,3)4)13-14(16)5-7-18(17)19(21)9-10-20(21)22/h6,8,13,17-20,22H,5,7,9-12H2,1-4H3/t17-,18-,19+,20+,21+/m1/s1
CH$LINK: INCHIKEY WAHGKGGDYYOOIH-MJCUULBUSA-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$SPLASH: splash10-0006-0169000000-6a9e22b2826dd8f1197f
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  55 0.9 9
  67 0.78 8
  73 1.93 19
  81 1.22 12
  93 1.34 13
  105 0.82 8
  107 1.34 13
  109 0.99 10
  151 0.62 6
  163 1.68 17
  165 0.66 7
  177 2.51 25
  178 0.74 7
  179 2.69 27
  180 2.16 22
  181 0.83 8
  191 0.96 10
  192 3.79 38
  193 3.45 35
  194 1.09 11
  203 1.71 17
  204 0.72 7
  205 5.07 51
  206 1.59 16
  216 1.08 11
  217 4.29 43
  218 13.1 131
  219 3.66 37
  220 1.44 14
  221 1.06 11
  229 2.18 22
  230 2.22 22
  231 8.69 87
  232 5.12 51
  233 1.81 18
  234 0.79 8
  243 1.71 17
  244 16.13 161
  245 5.01 50
  246 1.69 17
  247 4.16 42
  248 0.93 9
  257 13.05 131
  258 9.9 99
  259 2.58 26
  260 1.91 19
  269 0.79 8
  270 0.6 6
  271 1.11 11
  272 0.88 9
  273 1.16 12
  285 1.96 20
  287 1.14 11
  288 0.66 7
  297 1.05 11
  298 0.51 5
  299 0.74 7
  300 0.95 10
  311 0.86 9
  316 2.17 22
  317 0.69 7
  325 1.42 14
  326 1.25 13
  327 1.04 10
  329 4.71 47
  330 1.57 16
  331 0.58 6
  342 5.33 53
  343 4.44 44
  344 99.99 999
  345 26.6 266
  346 7.06 71
  347 1.29 13
//