ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009235
RECORD_TITLE: PHENYLETHYL 2-ETHYLHEXANOATE; 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$NAME: PHENYLETHYL 2-ETHYLHEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₄O₂
CH$EXACT_MASS: 248.17763
CH$SMILES: CCCCC(CC)C(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H24O2/c1-3-5-11-15(4-2)16(17)18-13-12-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3
CH$LINK: INCHIKEY DLUUSIFAGWCEES-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20918092

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$SPLASH: splash10-0udi-2900000000-6c1750c7b3051ce181e5
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  27 2.9 29
  29 3.5 35
  39 1.7 17
  41 0.69 7
  43 5.9 59
  51 1.2 12
  55 3.8 38
  57 1.99 20
  65 1.4 14
  77 3.9 39
  78 1.6 16
  79 0.24 2
  91 4 40
  99 1.3 13
  103 2.3 23
  104 99.99 999
  105 21.4 214
  106 1.3 13
  127 1.1 11
//