ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010048
RECORD_TITLE: 3,7,11-TRIMETHYL-2,6,10-DODECATRIENYL PHENYL SULFONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 3,7,11-TRIMETHYL-2,6,10-DODECATRIENYL PHENYL SULFONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H30O2S
CH$EXACT_MASS: 346.19665
CH$SMILES: CC(C)=CCCC(C)=CCCC(C)=CCS(=O)(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C21H30O2S/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-24(22,23)21-14-6-5-7-15-21/h5-7,10,12,14-16H,8-9,11,13,17H2,1-4H3/b19-12+,20-16+
CH$LINK: INCHIKEY MLMQYHDLGZNPKC-YEFHWUCQSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-014i-9400000000-b9dbdc501a9e4c7ecb58
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  29 1.46 15
  39 2.33 23
  41 24.52 245
  43 3.73 37
  51 2.24 22
  53 6.38 64
  55 11.99 120
  57 2.07 21
  65 1.6 16
  67 11.69 117
  68 20.13 201
  69 99.99 999
  70 5.12 51
  77 12.66 127
  78 3.26 33
  79 6.93 69
  80 5.99 60
  81 58.3 583
  82 4.98 50
  83 2.52 25
  91 4.09 41
  92 2.27 23
  93 25.98 260
  94 4.72 47
  95 15.75 158
  96 2.12 21
  97 1.86 19
  105 3.35 34
  107 12.21 122
  108 2.57 26
  109 10.5 105
  111 1.58 16
  119 3.68 37
  121 13.32 133
  122 3.93 39
  123 11.05 111
  124 2.77 28
  125 1.63 16
  133 2.85 29
  134 2.37 24
  135 18.21 182
  136 9.65 97
  137 24.85 249
  138 2.66 27
  143 8.81 88
  147 1.93 19
  148 4.75 48
  149 10.09 101
  161 11.81 118
  162 1.63 16
  189 1.82 18
  204 7.36 74
  205 9.9 99
  235 0.3 3
  290 0.33 3
  303 0.96 10
  304 0.3 3
  331 0.24 2
  346 2.04 20
  347 0.45 5
  348 0.28 3
//
