ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005658
RECORD_TITLE: 3-PHENYLPROPYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-014l-4900000000-88035a3fdb2f5791bea9
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41 1.71 17
  43 68.47 685
  44 1 10
  65 4.26 43
  77 3.68 37
  78 4.98 50
  79 3.74 37
  90 2.08 21
  91 56.22 562
  92 10.53 105
  103 9.16 92
  104 2.59 26
  105 16.7 167
  115 3.25 33
  116 38.47 385
  117 99.99 999
  118 94.62 946
  119 20.39 204
  178 0.12 1
//
