ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002723
RECORD_TITLE: 3-METHYLADIPIC ACID DI-TMS; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-METHYLADIPIC ACID DI-TMS
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H28O4Si2
CH$EXACT_MASS: 304.15261
CH$SMILES: CC(CCC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C13H28O4Si2/c1-11(10-13(15)17-19(5,6)7)8-9-12(14)16-18(2,3)4/h11H,8-10H2,1-7H3
CH$LINK: INCHIKEY IDHDZCKJOKHATB-UHFFFAOYSA-N
AC$INSTRUMENT: SHIMADZU LKB-9000B
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: splash10-0006-9200000000-1c89305b9a5bc0da7e16
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
  40 99.99 999
  41 7.9 79
  42 14.6 146
  43 27.1 271
  44 25.7 257
  45 7.3 73
  46 1.2 12
  47 0.67 7
  50 0.8 8
  51 0.8 8
  52 1.3 13
  54 0.11 1
  55 3.1 31
  56 1.2 12
  57 2.3 23
  58 0.06 1
  59 24.4 244
  60 0.9 9
  61 2.1 21
  63 0.08 1
  68 1.3 13
  69 6.5 65
  72 0.6 6
  73 3.4 34
  74 5.2 52
  75 37.6 376
  76 1.5 15
  77 0.21 2
  80 0.4 4
  81 0.2 2
  83 0.8 8
  86 0.05 1
  87 2.4 24
  88 2.1 21
  89 0.8 8
  93 0.04 0
  94 0.1 1
  95 4 40
  97 0.4 4
  98 0.22 2
  100 2.1 21
  103 1.2 12
  106 0.1 1
  110 0.03 0
  112 1.1 11
  115 1.6 16
  117 7.8 78
  118 0.09 1
  122 0.1 1
  123 0.5 5
  124 0.3 3
  125 0.95 10
  126 0.3 3
  129 3.3 33
  131 5.1 51
  132 0.18 2
  133 1 10
  136 0.4 4
  137 0.4 4
  139 0.02 0
  141 1.3 13
  142 1.2 12
  143 1.2 12
  144 0.04 0
  145 0.4 4
  147 9.5 95
  148 1.9 19
  149 0.15 2
  151 0.2 2
  152 0.3 3
  154 1.3 13
  155 0.02 0
  156 2.2 22
  157 0.5 5
  159 0.5 5
  160 0.16 2
  171 2.7 27
  172 0.6 6
  173 6.7 67
  174 0.18 2
  175 1.4 14
  179 0.9 9
  180 1.6 16
  181 0.12 1
  186 2.3 23
  187 0.3 3
  189 1.8 18
  199 0.15 2
  201 1.3 13
  204 1.1 11
  217 0.3 3
  218 0.02 0
  219 0.2 2
  221 1.7 17
  231 1.3 13
  275 0.02 0
  289 3 30
  290 2.3 23
  291 1.5 15
//
