ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007000
RECORD_TITLE: 3-PHENYLPROPYL 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$NAME: 3-PHENYLPROPYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₂O₂
CH$EXACT_MASS: 234.16198
CH$SMILES: CCCCCC(=O)OCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H22O2/c1-2-3-5-12-15(16)17-13-8-11-14-9-6-4-7-10-14/h4,6-7,9-10H,2-3,5,8,11-13H2,1H3
CH$LINK: COMPTOX DTXSID70211909
CH$LINK: INCHIKEY RSOGLEKUVSFLMO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:221417

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$SPLASH: splash10-014i-4900000000-ffb492a7384f4211f837
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 3.67 37
  29 3.65 37
  39 3.38 34
  41 8.35 84
  42 1.57 16
  43 12.21 122
  51 1.55 16
  55 2.24 22
  65 4.15 42
  71 3.99 40
  77 2.82 28
  78 1.89 19
  79 1.39 14
  91 29.12 291
  92 2.85 29
  99 3.76 38
  103 1.88 19
  104 1.24 12
  105 1.67 17
  115 1.57 16
  116 1.85 19
  117 40.99 410
  118 99.99 999
  119 11.04 110
//