ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005176
RECORD_TITLE: PROPYL 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$NAME: PROPYL BENZOATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-08fr-1900000000-964684149ba1c24af7d9
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  41 1.45 15
  42 2.43 24
  43 1.86 19
  59 2.43 24
  77 17.45 175
  78 1.97 20
  79 3 30
  105 99.99 999
  106 9.17 92
  107 1.14 11
  112 40.81 408
  113 69.03 690
  114 5.38 54
  135 2.41 24
  164 9.63 96
  165 1.09 11
//