MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002170
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002170
RECORD_TITLE: TRI-BUTYLTIN CHLORIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: TRI-BUTYLTIN CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H27ClSn
CH$EXACT_MASS: 326.08233
CH$SMILES: CCCC[Sn](Cl)(CCCC)CCCC
CH$IUPAC: InChI=1S/3C4H9.ClH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1
CH$LINK: INCHIKEY
GCTFWCDSFPMHHS-UHFFFAOYSA-M
CH$LINK: COMPTOX
DTXSID3027403
AC$INSTRUMENT: VARIAN MAT-44
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-066r-2690000000-7b10b43b6782c3d055b4
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
51 1.18 12
53 3.2 32
54 1.73 17
55 11.8 118
56 12.88 129
57 99.99 999
58 6.24 62
69 2 20
71 1.83 18
115 1.03 10
116 3.87 39
117 8.99 90
118 9.39 94
119 15.18 152
120 11.94 119
121 18.88 189
122 1.84 18
123 4.2 42
124 1.3 13
125 3.52 35
133 1.58 16
134 1.07 11
135 1.79 18
145 1.49 15
147 2.69 27
149 2.66 27
150 2.41 24
151 12.22 122
152 10.64 106
153 23.21 232
154 14.17 142
155 32.31 323
156 4.73 47
157 12.7 127
158 1.05 11
159 5.91 59
161 1.52 15
171 1.12 11
172 2.23 22
173 11.09 111
174 9.6 96
175 19.89 199
176 12.14 121
177 25.12 251
178 4.16 42
179 7.68 77
180 1.65 17
181 5.16 52
182 1.1 11
183 1.73 17
207 2.38 24
208 4.06 41
209 12.91 129
210 11.78 118
211 22.44 224
212 14.3 143
213 25.42 254
214 5.52 55
215 9.6 96
216 1.6 16
217 4.45 45
219 1.13 11
230 1.24 12
231 2.83 28
232 3.11 31
233 4.25 43
234 3.7 37
235 4.04 40
261 1.84 18
263 2.49 25
264 7.64 76
265 25.04 250
266 28.07 281
267 44.81 448
268 36.75 368
269 52.21 522
270 15.36 154
271 21.63 216
272 4.78 48
273 10.41 104
274 1.74 17
275 2.76 28
287 4.81 48
288 4.58 46
289 7.68 77
290 5.61 56
291 9.11 91
292 1.74 17
293 1.52 15
295 1.59 16
//