ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003361
RECORD_TITLE: DIBUTYL TIN DILAURATE; 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$NAME: DIBUTYL TIN DILAURATE
CH$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$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9300000000-4a59fe3166d5277c171b
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  44 3.8 38
  45 6.4 64
  50 2.6 26
  51 3 30
  53 6.6 66
  56 99.99 999
  57 5 50
  58 3.2 32
  59 9.86 99
  60 16.2 162
  67 9.2 92
  68 6.6 66
  69 3.02 30
  70 12.6 126
  71 33 330
  72 2.4 24
  73 9.06 91
  74 8.2 82
  79 3 30
  81 6.6 66
  82 0.72 7
  83 18.8 188
  84 12.8 128
  85 23.4 234
  87 1.42 14
  95 4.8 48
  96 4 40
  97 11.8 118
  98 2.28 23
  101 10.4 104
  111 6.8 68
  112 6.6 66
  115 1.18 12
  129 27 270
  133 8 80
  134 4 40
  135 1.26 13
  136 4 40
  137 17.8 178
  140 3.4 34
  141 0.34 3
  143 7.4 74
  157 13.6 136
  171 5.6 56
  185 0.48 5
  200 17.8 178
  201 4.6 46
  228 6.2 62
  256 3.6 36
//