ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008504
RECORD_TITLE: CIS-3-HEXENYL 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$NAME: CIS-3-HEXENYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₂
CH$EXACT_MASS: 218.13068
CH$SMILES: CCC=CCCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-
CH$LINK: INCHIKEY FJKFIIYSBXHBCT-ARJAWSKDSA-N
CH$LINK: COMPTOX DTXSID40884821

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$SPLASH: splash10-000x-9000000000-6d03e0fb21e55893cf72
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  16 1.51 15
  26 1.16 12
  27 5.57 56
  29 2.26 23
  38 1.04 10
  39 11.96 120
  41 26.14 261
  42 2.34 23
  43 1.67 17
  50 1.49 15
  51 3.32 33
  52 1.55 16
  53 4.01 40
  54 4.16 42
  55 21.07 211
  56 1.2 12
  63 3.25 33
  64 1.53 15
  65 12.03 120
  66 1.79 18
  67 47.29 473
  68 2.78 28
  69 1.67 17
  77 2.13 21
  79 1.19 12
  81 3.81 38
  82 92.12 921
  83 5.33 53
  89 3.21 32
  90 3.3 33
  91 99.99 999
  92 8.1 81
  105 1.01 10
  118 1.08 11
  119 3.45 35
//