ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000038
RECORD_TITLE: PROPYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PROPYL BENZOATE
CH$NAME: BENZOIC ACID PROPYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: CCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
CH$LINK: INCHIKEY UDEWPOVQBGFNGE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4044878

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0ab9-1900000000-4f4f18eff7fed779adb5
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  51 2.42 24
  77 27 270
  78 1.71 17
  79 1.36 14
  105 99.99 999
  106 7.67 77
  122 27.83 278
  123 47.52 475
  124 3.07 31
  135 0.83 8
  164 0.35 4
//