ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003591
RECORD_TITLE: DI-BUTYLTIN DI-LAURATE; 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$NAME: DI-BUTYLTIN DI-LAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₂H₆₄O₄Sn
CH$EXACT_MASS: 632.38266
CH$SMILES: CCCC[Sn](OC(CCCCCCCCCCC)=O)(OC(CCCCCCCCCCC)=O)CCCC
CH$IUPAC: InChI=1S/2C12H24O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2
CH$LINK: INCHIKEY UKLDJPRMSDWDSL-UHFFFAOYSA-L
CH$LINK: COMPTOX DTXSID6024961

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-055f-9212420000-e9827760e1abab202f96
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
  27 32.82 328
  28 3.77 38
  29 75.07 751
  39 19.59 196
  40 2.35 24
  41 77.54 775
  42 24.2 242
  43 99.99 999
  44 2.16 22
  45 11.7 117
  53 4.91 49
  54 2.99 30
  55 38.1 381
  56 17.96 180
  57 69.31 693
  58 4.7 47
  59 2.9 29
  60 34.47 345
  61 4.87 49
  67 2.05 21
  69 9.95 100
  70 4.95 50
  71 11.86 119
  73 23.45 235
  83 2.52 25
  84 3.55 36
  85 9.43 94
  87 3.66 37
  91 2.93 29
  97 2.69 27
  101 3.29 33
  112 2.07 21
  119 2.43 24
  121 3.66 37
  129 5.36 54
  133 16.77 168
  134 8.8 88
  135 28.43 284
  136 8.79 88
  137 33.61 336
  139 5.68 57
  141 2.88 29
  173 3.78 38
  174 2.98 30
  175 5.71 57
  176 4.67 47
  177 10.02 100
  178 2.84 28
  179 3.46 35
  183 3.87 39
  191 2.97 30
  201 3.5 35
  229 2.38 24
  231 3.75 38
  233 5.5 55
  259 2.3 23
  261 4.53 45
  263 4.18 42
  287 8.47 85
  288 5.66 57
  289 13.87 139
  290 6.44 64
  291 15.47 155
  292 3.02 30
  293 2.14 21
  295 2.54 25
  313 4.12 41
  314 2.4 24
  315 24.78 248
  316 15.66 157
  317 40.55 406
  318 17.06 171
  319 45.01 450
  320 6.47 65
  321 7.26 73
  323 7.11 71
  345 2.61 26
  347 3.3 33
  373 4 40
  374 2.36 24
  375 6.41 64
  377 5.03 50
  401 9.12 91
  402 6.66 67
  403 15.97 160
  404 7.92 79
  405 20.6 206
  406 3.11 31
  407 3.41 34
  409 3.56 36
  429 30.1 301
  430 20.44 204
  431 50.09 501
  432 26.04 260
  433 63.2 632
  434 13.2 132
  435 9.56 96
  437 10.67 107
  438 2 20
  459 3.15 32
  461 4.19 42
  515 2.35 24
  516 2.16 22
  517 4.6 46
  518 2.28 23
  519 6.15 62
  543 6.94 69
  545 17.08 171
  547 22.26 223
  549 6.38 64
  551 2.3 23
  571 12.27 123
  573 29.21 292
  575 39.97 400
  577 7.69 77
  578 5.79 58
  579 4.33 43
  603 2.36 24
//