ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004929
RECORD_TITLE: PROPYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: CAS 2315-68-6
CH$LINK: INCHIKEY UDEWPOVQBGFNGE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4044878

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0ab9-3900000000-ce49dd0a4c304d8d369e
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  40 2 20
  42 3.15 32
  43 1.96 20
  50 4.32 43
  51 15.27 153
  52 1.1 11
  59 1.99 20
  75 1 10
  76 2.22 22
  77 42.46 425
  78 3.69 37
  79 2.62 26
  105 99.99 999
  106 8.92 89
  122 26.69 267
  123 42.71 427
  124 3.23 32
  135 1.35 14
  164 1.53 15
//