ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002722
RECORD_TITLE: 3-METHYLGLUTARIC 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$NAME: 3-METHYLGLUTARIC ACID DI-TMS
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₆O₄Si₂
CH$EXACT_MASS: 290.13696
CH$SMILES: CC(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C12H26O4Si2/c1-10(8-11(13)15-17(2,3)4)9-12(14)16-18(5,6)7/h10H,8-9H2,1-7H3
CH$LINK: INCHIKEY JOPZTTHKNFWHFT-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$SPLASH: splash10-00fs-9510000000-b21fca6f125bf35d1565
PK$NUM_PEAK: 148
PK$PEAK: m/z int. rel.int.
  41 5.4 54
  42 3.3 33
  43 10.3 103
  44 7 70
  45 14.4 144
  46 1.3 13
  47 6.8 68
  48 0.05 1
  49 0.2 2
  51 0.5 5
  53 0.2 2
  55 0.49 5
  56 2.5 25
  58 2.2 22
  59 9.4 94
  60 0.08 1
  61 4.5 45
  62 0.5 5
  63 0.2 2
  65 0.02 0
  66 1 10
  67 1.3 13
  68 0.2 2
  69 7.95 80
  70 3.7 37
  71 0.8 8
  72 6.1 61
  73 99.99 999
  74 9.8 98
  75 59.7 597
  76 4.1 41
  77 0.3 3
  79 0.3 3
  81 0.3 3
  82 0.9 9
  83 0.19 2
  84 0.4 4
  85 0.2 2
  87 0.4 4
  88 0.18 2
  89 0.7 7
  90 0.4 4
  91 0.3 3
  93 0.03 0
  94 0.2 2
  95 0.5 5
  97 0.3 3
  99 0.34 3
  100 0.7 7
  101 2.4 24
  102 0.6 6
  103 0.07 1
  104 0.1 1
  105 1.5 15
  107 0.5 5
  109 0.03 0
  110 0.1 1
  111 1.5 15
  112 0.2 2
  113 0.05 1
  114 0.2 2
  115 0.6 6
  116 6 60
  117 1.94 19
  118 2.1 21
  119 1.3 13
  120 0.2 2
  124 0.02 0
  125 0.1 1
  127 0.2 2
  128 1.5 15
  129 0.24 2
  130 4.7 47
  131 2.5 25
  132 1.7 17
  133 0.43 4
  134 0.7 7
  135 0.6 6
  141 3 30
  142 0.06 1
  143 8.8 88
  144 1.5 15
  145 1.6 16
  146 0.05 1
  147 67.7 677
  148 11.8 118
  149 8.8 88
  150 0.1 1
  151 0.4 4
  155 0.2 2
  156 0.2 2
  157 0.26 3
  158 0.4 4
  159 11.8 118
  160 1.5 15
  161 0.08 1
  162 0.6 6
  163 0.4 4
  165 0.2 2
  171 0.02 0
  172 16 160
  173 3.6 36
  174 0.8 8
  175 0.03 0
  177 0.2 2
  179 1 10
  180 0.1 1
  181 0.02 0
  185 2 20
  186 0.4 4
  187 0.3 3
  189 0.11 1
  190 0.4 4
  191 1.1 11
  192 0.2 2
  193 0.02 0
  194 0.2 2
  200 4 40
  201 3.5 35
  202 0.05 1
  203 0.5 5
  204 6.5 65
  205 1.1 11
  206 0.8 8
  207 0.2 2
  217 0.7 7
  218 0.7 7
  219 0.13 1
  220 0.4 4
  221 0.3 3
  222 0.4 4
  223 0.02 0
  229 1.6 16
  230 0.3 3
  231 0.8 8
  232 0.02 0
  233 0.6 6
  235 0.2 2
  247 3.4 34
  248 0.09 1
  249 0.3 3
  261 0.2 2
  263 0.2 2
  275 2.7 27
  276 6 60
  277 2.8 28
  278 0.2 2
  279 0.6 6
//