ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009659
RECORD_TITLE: ETHYL 4-CYANOBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 4-CYANOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₉NO₂
CH$EXACT_MASS: 175.06333
CH$SMILES: CCOC(=O)c(c1)ccc(C#N)c1
CH$IUPAC: InChI=1S/C10H9NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3
CH$LINK: INCHIKEY JLSSWDFCYXSLQX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10221769

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$SPLASH: splash10-001j-3900000000-0e4c812845badb2063a3
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  26 1.7 17
  27 8.8 88
  29 9.8 98
  38 0.1 1
  39 1.3 13
  40 1 10
  43 1.5 15
  44 0.16 2
  45 17.9 179
  50 7.6 76
  51 9.9 99
  52 0.2 2
  74 2.5 25
  75 13.7 137
  76 9.1 91
  101 0.17 2
  102 43.2 432
  103 10.5 105
  104 1.2 12
  130 99.99 999
  131 11.8 118
  132 1 10
  147 43 430
  148 0.49 5
  160 1 10
  174 3.5 35
  175 30 300
  176 3.7 37
//