ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006278
RECORD_TITLE: ESTRONE TRIMETHYL 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$NAME: ESTRONE TRIMETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₀O₂Si
CH$EXACT_MASS: 342.20151
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/C21H30O2Si/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/h6,8,13,17-19H,5,7,9-12H2,1-4H3/t17-,18-,19+,21+/m1/s1
CH$LINK: INCHIKEY FRJOUBWXHQBBER-BNDYYXHWSA-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$SPLASH: splash10-0006-1198000000-c0bfb5f33784306ef7ea
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  41 1.31 13
  43 1.26 13
  55 1.21 12
  57 0.98 10
  67 1.42 14
  73 9.82 98
  74 1.38 14
  79 1.02 10
  81 2.11 21
  93 1.12 11
  95 1.09 11
  97 2.45 25
  107 1.7 17
  109 1.4 14
  123 1.07 11
  150 1.3 13
  163 2.41 24
  177 3.84 38
  178 1.51 15
  179 2.21 22
  180 1.94 19
  189 1.03 10
  191 0.95 10
  192 7.66 77
  193 2.45 25
  194 1.05 11
  201 1.11 11
  202 0.61 6
  203 3.34 33
  204 1.85 19
  205 4.53 45
  206 1.23 12
  207 1.39 14
  215 1.35 14
  216 1.33 13
  217 7.25 73
  218 30.49 305
  219 9.54 95
  220 2.64 26
  221 1.31 13
  229 2.72 27
  230 1.77 18
  231 5.75 58
  232 5.17 52
  233 1.81 18
  242 3.26 33
  243 2.32 23
  244 14.17 142
  245 5.35 54
  246 1.88 19
  257 29.88 299
  258 9.72 97
  259 2.4 24
  260 0.75 8
  269 0.78 8
  270 0.8 8
  271 1.81 18
  272 1.06 11
  282 0.73 7
  283 1.26 13
  284 0.95 10
  285 4.1 41
  286 3.97 40
  287 0.9 9
  298 1.12 11
  299 1.35 14
  313 1.2 12
  314 3.13 31
  315 1 10
  327 8.79 88
  328 2.97 30
  340 0.97 10
  341 2.77 28
  342 99.99 999
  343 29.85 299
  344 8.34 83
  345 1.51 15
//