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
//