ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009521
RECORD_TITLE: ETHYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
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$LINK: CAS 93-89-0
CH$LINK: COMPTOX DTXSID3038696
CH$LINK: INCHIKEY MTZQAGJQAFMTAQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7165

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0pdi-8900000000-44a1b5b320f6a221cb8a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  14 1.8 18
  25 2.15 22
  26 9.21 92
  27 3.83 38
  28 9.59 96
  30 1.84 18
  38 1.17 12
  39 2.13 21
  43 2.05 21
  45 1.47 15
  50 11.28 113
  51 25.91 259
  52 1.88 19
  65 1.08 11
  74 5.14 51
  75 3.01 30
  76 4.19 42
  77 54.31 543
  78 5.82 58
  91 1.23 12
  105 99.99 999
  106 9.3 93
  122 26.1 261
  123 2.27 23
  135 1.01 10
  149 1.38 14
  150 19.58 196
  151 2.25 23
//