ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006999
RECORD_TITLE: PHENYLETHYL HEXANOATE; 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$NAME: PHENYLETHYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₀O₂
CH$EXACT_MASS: 220.14633
CH$SMILES: CCCCCC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3
CH$LINK: INCHIKEY BUYNWUMUDHPPDS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5047584

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$SPLASH: splash10-0udi-4900000000-0841c992786af8b784b3
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  27 3.77 38
  29 2.88 29
  39 2.22 22
  41 5.21 52
  42 1.68 17
  43 16.75 168
  51 1.53 15
  55 1.98 20
  65 2.06 21
  71 7.4 74
  77 4.94 49
  78 2.32 23
  79 2.53 25
  91 5.47 55
  99 7.79 78
  103 2.74 27
  104 99.99 999
  105 21.11 211
  106 1.27 13
//