ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007507
RECORD_TITLE: 4-NITROPHENOXYACETIC ACID TRIMETHYLSILYL ESTER; 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$NAME: 4-NITROPHENOXYACETIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₅NO₅Si
CH$EXACT_MASS: 269.07195
CH$SMILES: [O-1][N+1](=O)c(c1)ccc(OCC(=O)O[Si](C)(C)C)c1
CH$IUPAC: InChI=1S/C11H15NO5Si/c1-18(2,3)17-11(13)8-16-10-6-4-9(5-7-10)12(14)15/h4-7H,8H2,1-3H3
CH$LINK: INCHIKEY BQGPLKHQGVWGMH-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0092-9510000000-e2b477ffb9d73995dd0f
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
  43 7.4 74
  44 4.3 43
  45 25.4 254
  46 0.12 1
  47 13.6 136
  50 13 130
  51 3.7 37
  52 0.12 1
  53 1.2 12
  55 1.2 12
  57 1.2 12
  58 0.74 7
  59 5.5 55
  61 6.2 62
  63 8.6 86
  64 0.74 7
  65 1.2 12
  69 2.4 24
  71 3.1 31
  72 1.05 11
  73 43.4 434
  74 40.9 409
  75 99.99 999
  76 2.6 26
  77 9.3 93
  78 6.2 62
  79 1.2 12
  83 0.18 2
  88 3.1 31
  89 1.2 12
  91 4.3 43
  92 0.93 9
  93 1.8 18
  101 3.7 37
  103 1.2 12
  104 0.18 2
  105 2.4 24
  106 5.5 55
  107 9.9 99
  108 0.99 10
  115 3.1 31
  116 9.3 93
  117 16.1 161
  118 0.18 2
  119 1.2 12
  120 1.2 12
  121 2.4 24
  122 0.31 3
  123 1.2 12
  127 1.2 12
  129 1.2 12
  130 0.18 2
  131 2.4 24
  132 3.1 31
  134 1.2 12
  135 1.36 14
  136 4.9 49
  148 1.2 12
  149 26 260
  150 1.18 12
  151 3.7 37
  152 1.8 18
  163 1.8 18
  164 5.21 52
  165 9.3 93
  166 3.1 31
  168 1.8 18
  179 0.12 1
  180 8 80
  181 1.2 12
  182 1.2 12
  193 0.24 2
  195 12.4 124
  196 44 440
  197 8 80
  198 0.12 1
  208 5.5 55
  210 4.3 43
  224 16.1 161
  225 0.74 7
  226 9.3 93
  227 1.2 12
  237 1.8 18
  239 0.24 2
  253 1.2 12
  254 14.9 149
  255 2.4 24
  269 2.85 29
  270 4.3 43
  271 1.2 12
//