ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011478
RECORD_TITLE: ETHYL 4-NITROPHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
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$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-052r-9710000000-8eea6f911a6d3d813827
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  38 3.06 31
  39 16.27 163
  40 3.1 31
  41 1.51 15
  42 1.17 12
  43 5.35 54
  44 1.4 14
  45 5.71 57
  46 3.6 36
  50 5.26 53
  51 13.32 133
  52 8.25 83
  53 2.1 21
  62 6.59 66
  63 32.61 326
  64 14.72 147
  65 4.42 44
  73 2.18 22
  75 1.85 19
  76 1.73 17
  77 17.96 180
  78 62.73 627
  79 12.24 122
  87 1.36 14
  88 1.49 15
  89 82.58 826
  90 77.88 779
  91 19.16 192
  92 1.76 18
  105 1.85 19
  106 28.35 284
  107 53.91 539
  108 3.66 37
  117 2.44 24
  118 1.23 12
  119 12.72 127
  120 22.99 230
  121 5.61 56
  133 2.11 21
  135 5.94 59
  136 71.38 714
  137 99.99 999
  138 8.37 84
  148 1.85 19
  150 1.5 15
  163 3.34 33
  164 15.47 155
  165 5.09 51
  179 1.86 19
  181 5.94 59
  193 2.16 22
  209 63.79 638
  210 8.93 89
  211 1.07 11
//