ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003833
RECORD_TITLE: 3-PHENYLPROPYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 3-PHENYLPROPYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: CC(=O)OCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
CH$LINK: INCHIKEY JRJGKUTZNBZHNK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047648
AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-014i-4900000000-c81ecf44d44f2a4f762f
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  39 4.9 49
  41 3.9 39
  43 40.9 409
  51 0.44 4
  63 1.9 19
  65 7.4 74
  77 5.9 59
  78 0.39 4
  79 2.9 29
  91 33.9 339
  92 4.9 49
  96 0.19 2
  103 4.9 49
  104 2.4 24
  105 7.9 79
  115 0.44 4
  116 4.4 44
  117 72.9 729
  118 99.99 999
  119 9.4 94
//
