ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007074
RECORD_TITLE: TRANS-2-HEXENYL ACETATE; 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$NAME: TRANS-2-HEXENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: CCCC=CCOC(C)=O
CH$IUPAC: InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
CH$LINK: CAS 2497-18-9
CH$LINK: INCHIKEY HRHOWZHRCRZVCU-AATRIKPKSA-N
CH$LINK: COMPTOX DTXSID40879237

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$SPLASH: splash10-0006-9000000000-3a62a93aa8045a5352a2
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 4.59 46
  27 12.27 123
  28 2.32 23
  29 7.88 79
  39 13.24 132
  40 1.76 18
  41 19.84 198
  42 3.59 36
  43 99.99 999
  44 3.1 31
  51 1.27 13
  53 5.08 51
  54 7.58 76
  55 11.97 120
  56 4.88 49
  57 11.79 118
  58 1.47 15
  61 1.78 18
  67 25.82 258
  68 1.22 12
  71 5.04 50
  72 1.52 15
  81 2.46 25
  82 18.83 188
  83 4.44 44
  99 3.73 37
  100 10.22 102
//