ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005907
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$LINK: COMPTOX DTXSID3038696
CH$LINK: INCHIKEY MTZQAGJQAFMTAQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7165

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-1900000000-4dfdb3091a0b0e276d97
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  29 1.91 19
  45 2.02 20
  51 1.24 12
  77 23.32 233
  78 2.59 26
  91 1.35 14
  105 99.99 999
  106 10.02 100
  107 1.01 10
  122 39.3 393
  123 3.49 35
  135 1.35 14
  149 1.8 18
  150 32.65 327
  151 3.26 33
//