ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009660
RECORD_TITLE: ETHYL 3-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$NAME: ETHYL 3-CYANOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₉NO₂
CH$EXACT_MASS: 175.06333
CH$SMILES: CCOC(=O)c(c1)cc(C#N)cc1
CH$IUPAC: InChI=1S/C10H9NO2/c1-2-13-10(12)9-5-3-4-8(6-9)7-11/h3-6H,2H2,1H3
CH$LINK: INCHIKEY ZKXMKMLGUYSGNS-UHFFFAOYSA-N

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$SPLASH: splash10-0faj-3900000000-0058e3f1346a36897998
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  26 1.8 18
  27 11 110
  29 12 120
  38 0.14 1
  39 2.6 26
  41 1.6 16
  43 2.5 25
  44 0.1 1
  45 13.4 134
  50 8.3 83
  51 11 110
  52 0.28 3
  56 1.3 13
  57 1.9 19
  63 1.2 12
  74 0.28 3
  75 15.5 155
  76 11 110
  77 1.7 17
  78 0.4 4
  101 1.7 17
  102 46 460
  103 17.9 179
  104 0.17 2
  129 1.1 11
  130 99.99 999
  131 11 110
  132 0.1 1
  147 46.7 467
  148 5.9 59
  157 2.7 27
  160 0.12 1
  174 2.9 29
  175 34.9 349
  176 4.5 45
//