ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010914
RECORD_TITLE: TRANS-2-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$NAME: TRANS-2-HEXENYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₂
CH$EXACT_MASS: 218.13068
CH$SMILES: CCCC=CCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h4-10H,2-3,11-12H2,1H3/b8-4+
CH$LINK: INCHIKEY BYGAPGDXGHDYGP-XBXARRHUSA-N
CH$LINK: COMPTOX DTXSID90887180

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$SPLASH: splash10-0006-9000000000-791ebfdd24937a736821
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 9 90
  29 4.5 45
  39 14.4 144
  41 38.4 384
  42 3.1 31
  43 1.8 18
  50 1.4 14
  51 2.9 29
  52 1.4 14
  53 3.4 34
  54 6.1 61
  55 49.8 498
  56 2.5 25
  57 1.3 13
  63 2.5 25
  65 13.8 138
  66 1.2 12
  67 10.3 103
  77 1.2 12
  79 1 10
  81 1.7 17
  82 6.7 67
  83 31.9 319
  84 1.8 18
  89 3 30
  90 2.1 21
  91 99.99 999
  92 12.1 121
  99 1.3 13
  118 3.5 35
  119 1.1 11
  218 4.9 49
//