ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001509
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ab9-5900000000-9bb9653d1a55e70922dd
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 8.06 81
  28 1.1 11
  29 1.65 17
  39 4.05 41
  41 4.99 50
  42 2.64 26
  43 3.19 32
  50 6.23 62
  51 19.2 192
  52 1.5 15
  59 2.25 23
  74 1.65 17
  75 1.43 14
  76 2.97 30
  77 45.35 454
  79 3.67 37
  105 99.99 999
  106 8.94 89
  107 1.06 11
  122 27.25 273
  123 42.49 425
  124 3.59 36
  135 1.65 17
  164 3.52 35
//