ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006379
RECORD_TITLE: 3-PHENYLPROPYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-014l-6900000000-37831f4980d74f7589d5
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 4.1 41
  27 2.7 27
  28 1.74 17
  29 1.17 12
  39 7.97 80
  41 2.62 26
  42 1.46 15
  43 53.1 531
  44 1.03 10
  50 2.09 21
  51 7.57 76
  52 1.73 17
  63 3.24 32
  65 9.89 99
  77 10.06 101
  78 6.46 65
  79 4.88 49
  89 2.04 20
  90 1.36 14
  91 44.26 443
  92 5.98 60
  103 6.75 68
  104 3.29 33
  105 9.67 97
  115 3.75 38
  116 3.43 34
  117 90.37 904
  118 99.99 999
  119 9.04 90
//
