MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005970

ETHYL BENZOATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005970
RECORD_TITLE: ETHYL BENZOATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: ETHYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: CCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
CH$LINK: INCHIKEY MTZQAGJQAFMTAQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3038696

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-0ab9-2900000000-642cce491cf1fc2d7784
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  76 2.18 22
  77 47.11 471
  78 3.64 36
  79 5.05 51
  91 2.98 30
  103 1.03 10
  104 3.3 33
  105 99.99 999
  106 11.15 112
  115 1.25 13
  122 55.35 554
  123 15.44 154
  124 1.08 11
  132 2.02 20
  135 1.98 20
  149 20.99 210
  150 36.27 363
  151 9.86 99
//