ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008503
RECORD_TITLE: PENTYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: PENTYL PHENYLACETATE
CH$NAME: AMYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₂
CH$EXACT_MASS: 206.13068
CH$SMILES: CCCCCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3
CH$LINK: INCHIKEY LRVLBFSVAFUOGO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7063714

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$SPLASH: splash10-0006-9100000000-a38f711b018fb6ed01fc
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 8.85 89
  29 15.66 157
  39 11.06 111
  41 18.59 186
  42 5.81 58
  43 92.35 924
  44 2.31 23
  51 2.51 25
  55 8.55 86
  63 4.29 43
  64 1.34 13
  65 17.38 174
  69 1.35 14
  70 4.21 42
  71 13.75 138
  89 4.91 49
  90 3.87 39
  91 99.99 999
  92 31.07 311
  93 1.79 18
  115 6.85 69
  119 2.41 24
  136 23.22 232
  137 8.04 80
  206 3.21 32
//