MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006279
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
//