ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006240
RECORD_TITLE: ESTRADIOL DI-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$NAME: ESTRADIOL DI-TRIMETHYLSILYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₄₀O₂Si₂
CH$EXACT_MASS: 416.25668
CH$SMILES: C(C4([H])1)(C)(CCC(C4([H])2)([H])c(c3)c(cc(O[Si](C)(C)C)c3)CC2)C(O[Si](C)(C)C)CC1
CH$IUPAC: InChI=1S/C24H40O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h9,11,16,20-23H,8,10,12-15H2,1-7H3/t20-,21-,22+,23-,24+/m1/s1
CH$LINK: INCHIKEY WJUROLKZHWTVGC-SJSRKZJXSA-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$SPLASH: splash10-014i-0291800000-af67df602b365489335f
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  73 2.86 29
  81 1.28 13
  93 1 10
  95 0.99 10
  105 0.84 8
  107 1.17 12
  115 2.63 26
  129 25.99 260
  130 4.8 48
  131 0.94 9
  133 0.62 6
  159 2.03 20
  177 2.52 25
  178 0.69 7
  179 1.9 19
  180 1.44 14
  192 1.33 13
  193 0.93 9
  195 0.71 7
  201 0.98 10
  203 0.73 7
  204 0.88 9
  205 4.61 46
  206 1.43 14
  217 2.49 25
  218 8.31 83
  219 3.28 33
  229 3.24 32
  230 4.9 49
  231 6.26 63
  232 13.12 131
  233 3.24 32
  242 0.55 6
  243 2.03 20
  244 7.47 75
  245 2.79 28
  255 0.56 6
  256 1.72 17
  257 2.18 22
  258 2.18 22
  269 3.28 33
  270 2 20
  271 3.38 34
  272 2.26 23
  273 0.53 5
  283 4.15 42
  284 6.39 64
  285 48.23 482
  286 13.19 132
  287 9.12 91
  288 1.84 18
  297 2.5 25
  298 5.74 57
  299 1.71 17
  300 3.24 32
  311 1.92 19
  325 5.35 54
  326 9.08 91
  327 2.99 30
  341 0.68 7
  355 0.69 7
  401 5.98 60
  402 2.9 29
  414 1.42 14
  415 1.73 17
  416 99.99 999
  417 35.71 357
  418 12.26 123
  419 2.66 27
  420 0.69 7
//