ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005695
RECORD_TITLE: ETHYL 4-NITROPHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 4-NITROPHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₁NO₄
CH$EXACT_MASS: 209.06881
CH$SMILES: CCOC(=O)Cc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C10H11NO4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3
CH$LINK: INCHIKEY DWDRNKYLWMKWTH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7063891

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-002r-9610000000-8ecfecd22bfb50907340
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  15 1.3 13
  18 1.5 15
  26 1.83 18
  27 15.05 151
  28 3.19 32
  29 99.99 999
  30 25.56 256
  31 1 10
  38 2.26 23
  39 10.44 104
  40 2.07 21
  41 4.45 45
  42 0.99 10
  43 33.63 336
  44 1.38 14
  45 2.64 26
  46 1.14 11
  50 4.07 41
  51 7.65 77
  52 4.43 44
  53 1.25 13
  55 0.55 6
  61 1.04 10
  62 6.06 61
  63 22.96 230
  64 9.45 95
  65 2.58 26
  66 0.45 5
  73 1.94 19
  74 1.22 12
  75 1.48 15
  76 1.24 12
  77 10.09 101
  78 40.94 409
  79 7.37 74
  80 0.67 7
  85 0.39 4
  86 1.22 12
  87 1.78 18
  88 1.34 13
  89 55.14 551
  90 54.14 541
  91 13.54 135
  92 1.2 12
  93 0.53 5
  103 0.57 6
  104 0.79 8
  105 1.48 15
  106 20.17 202
  107 38.46 385
  108 2.97 30
  109 0.44 4
  117 1.98 20
  118 0.89 9
  119 9.04 90
  120 19.42 194
  121 4.87 49
  122 0.57 6
  133 1.53 15
  134 0.58 6
  135 4.19 42
  136 67.65 677
  137 98.77 988
  138 8.28 83
  139 0.74 7
  147 0.31 3
  148 1.66 17
  149 0.38 4
  150 1.15 12
  151 0.22 2
  163 2.56 26
  164 13.83 138
  165 4.17 42
  166 0.55 6
  181 5.02 50
  182 1.43 14
  183 0.2 2
  193 3.18 32
  194 0.74 7
  207 0.29 3
  208 0.49 5
  209 40.72 407
  210 11 110
  211 1.34 13
//