ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000305
RECORD_TITLE: ETHYL BENZOATE; EI-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

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

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a6r-5900000000-c9d5dba851f474dd9456
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 1.1 11
  27 7 70
  28 5.2 52
  29 0.6 6
  38 1.1 11
  39 2.5 25
  45 2.2 22
  50 0.95 10
  51 25.6 256
  52 1.8 18
  65 1.3 13
  74 0.28 3
  75 2 20
  76 3.5 35
  77 52.6 526
  78 0.5 5
  91 1.4 14
  105 99.99 999
  106 9.5 95
  107 0.1 1
  122 27.5 275
  123 2.5 25
  135 1.2 12
  149 0.17 2
  150 22.3 223
  151 2.4 24
//