ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002720
RECORD_TITLE: L-PYROGLUTAMIC 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$NAME: L-PYROGLUTAMIC ACID-DI-TMS
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₃NO₃Si₂
CH$EXACT_MASS: 273.12165
CH$SMILES: O=C(C1)N([Si](C)(C)C)C([H])(C1)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C11H23NO3Si2/c1-16(2,3)12-9(7-8-10(12)13)11(14)15-17(4,5)6/h9H,7-8H2,1-6H3/t9-/m1/s1
CH$LINK: INCHIKEY QACGFKAUSXGLCU-SECBINFHSA-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$SPLASH: splash10-0ab9-8900000000-a02cb48129ebe2596610
PK$NUM_PEAK: 143
PK$PEAK: m/z int. rel.int.
  41 3.1 31
  42 1.5 15
  43 4.3 43
  44 4.7 47
  45 10.4 104
  46 0.7 7
  47 0.21 2
  49 0.1 1
  52 0.3 3
  54 0.4 4
  55 0.19 2
  56 0.8 8
  57 1 10
  58 2.5 25
  59 5.9 59
  60 0.05 1
  61 1.2 12
  62 0.1 1
  63 0.1 1
  66 0.11 1
  67 0.8 8
  68 0.4 4
  69 0.5 5
  70 0.03 0
  71 0.7 7
  72 2.1 21
  73 66.6 666
  74 0.64 6
  75 16.6 166
  76 1 10
  77 0.8 8
  80 0.02 0
  81 0.4 4
  82 0.5 5
  83 0.7 7
  84 0.88 9
  85 1.2 12
  86 1 10
  87 0.2 2
  88 0.01 0
  89 0.1 1
  91 0.2 2
  93 1 10
  94 0.01 0
  95 0.1 1
  96 0.2 2
  98 1 10
  99 0.05 1
  100 0.9 9
  101 0.1 1
  102 0.1 1
  103 0.06 1
  104 0.1 1
  105 0.2 2
  111 0.2 2
  112 0.07 1
  113 0.2 2
  114 0.3 3
  115 0.4 4
  116 0.17 2
  117 2 20
  118 0.3 3
  119 0.2 2
  121 0.01 0
  122 1.8 18
  123 0.1 1
  124 0.1 1
  125 0.02 0
  126 0.2 2
  127 0.2 2
  128 0.2 2
  129 0.11 1
  130 0.3 3
  131 1.3 13
  132 0.7 7
  133 0.21 2
  134 0.2 2
  135 0.1 1
  139 0.1 1
  141 0.06 1
  142 0.5 5
  143 0.4 4
  144 0.2 2
  145 0.08 1
  146 0.2 2
  147 15.9 159
  148 2.5 25
  149 0.18 2
  150 0.2 2
  151 0.3 3
  152 0.2 2
  153 0.02 0
  154 0.5 5
  155 0.7 7
  156 99.99 999
  157 1.43 14
  158 5.4 54
  159 0.7 7
  161 0.1 1
  168 0.01 0
  170 0.1 1
  172 0.1 1
  173 0.1 1
  174 0.02 0
  175 0.1 1
  179 0.1 1
  180 0.1 1
  182 0.01 0
  184 0.1 1
  185 0.1 1
  186 0.7 7
  187 0.01 0
  188 0.1 1
  189 0.1 1
  190 0.2 2
  201 0.01 0
  202 0.1 1
  205 0.1 1
  207 0.1 1
  213 0.01 0
  214 0.3 3
  216 0.1 1
  221 0.2 2
  223 0.1 1
  224 0.1 1
  228 0.4 4
  229 0.1 1
  230 0.65 7
  231 1.1 11
  232 0.6 6
  233 0.1 1
  238 0.01 0
  243 0.1 1
  247 0.1 1
  253 0.1 1
  257 0.04 0
  258 7.6 76
  259 1.5 15
  260 0.5 5
  261 0.01 0
  269 0.1 1
  273 0.4 4
  274 0.1 1
//