ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003544
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$INSTRUMENT: HITACHI M-68
AC$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$SPLASH: splash10-0a4i-6900000000-5b05b2c2170f6252ca9a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  18 3.2 32
  26 1.7 17
  27 4.8 48
  28 6.1 61
  29 5.5 55
  35 3 30
  36 13.7 137
  37 0.11 1
  38 4.9 49
  39 1.6 16
  44 1.3 13
  45 0.2 2
  50 7.4 74
  51 17.8 178
  69 1.3 13
  74 0.29 3
  75 1.9 19
  76 2.8 28
  77 42.9 429
  78 0.4 4
  105 99.99 999
  106 9.1 91
  122 28.5 285
  123 0.24 2
  135 1.3 13
  149 1.6 16
  150 24 240
  151 2.2 22
//