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
//
