MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006278
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
//