ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009724
RECORD_TITLE: BENZOIC ACID ETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: BENZOIC ACID ETHYL ESTER
CH$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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a4i-1900000000-f9719df41d062495f650
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  29 2.3 23
  45 1.57 16
  51 2.35 24
  77 26.7 267
  78 2.91 29
  91 1.12 11
  105 99.99 999
  106 9.56 96
  122 35.2 352
  123 2.91 29
  135 1.26 13
  149 2.18 22
  150 24.23 242
  151 2.45 25
//