ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006274
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$SPLASH: splash10-004r-9400000000-a7bd7793194cf28d1efc
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  26 1.76 18
  27 11.01 110
  28 2.2 22
  29 99.99 999
  30 18.26 183
  31 0.7 7
  38 1.6 16
  39 6.5 65
  40 1.15 12
  41 0.83 8
  43 3.92 39
  44 0.5 5
  45 1.42 14
  46 0.85 9
  50 2.56 26
  51 4.7 47
  52 2.67 27
  62 3.06 31
  63 10.81 108
  64 4.38 44
  65 1.36 14
  73 1.27 13
  74 0.66 7
  75 0.72 7
  76 0.56 6
  77 4.72 47
  78 20.97 210
  79 3.68 37
  89 23.94 239
  90 24.15 242
  91 7.33 73
  92 0.66 7
  106 8.48 85
  107 20.36 204
  108 1.59 16
  119 5.33 53
  120 9.05 91
  121 2.32 23
  135 1.78 18
  136 27.19 272
  137 44.44 444
  138 3.59 36
  163 0.86 9
  164 4.8 48
  165 1.88 19
  181 2.04 20
  182 0.62 6
  193 1.71 17
  209 20.13 201
  210 7.19 72
  211 0.82 8
//