ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009875
RECORD_TITLE: ETHYL 4-NITROPHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
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$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-000i-7910000000-47f399a84d6a576d5ab7
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 6 60
  28 1.5 15
  29 67.8 678
  30 16 160
  38 1.2 12
  39 6 60
  45 1.2 12
  51 5.8 58
  52 2.2 22
  62 2.8 28
  63 12.5 125
  64 5 50
  65 1 10
  73 1.2 12
  77 6.8 68
  78 23 230
  79 4.8 48
  89 38.5 385
  90 45.3 453
  91 10.2 102
  106 25 250
  107 19 190
  108 1.5 15
  119 6.2 62
  120 22.2 222
  121 3.8 38
  135 2.7 27
  136 80 800
  137 99.99 999
  138 7.8 78
  163 1.2 12
  164 12.5 125
  165 4.2 42
  181 6.8 68
  193 2.6 26
  209 43.5 435
  210 7.8 78
//