ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006501
RECORD_TITLE: TRANS-2-HEXENYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TRANS-2-HEXENYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₂
CH$EXACT_MASS: 170.13068
CH$SMILES: CCCC=CCOC(=O)CCC
CH$IUPAC: InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
CH$LINK: INCHIKEY PCGACKLJNBBQGM-VOTSOKGWSA-N
CH$LINK: COMPTOX DTXSID90886052

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$SPLASH: splash10-00dl-9000000000-6614b9e4dedf9d8304ca
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  26 1 10
  27 21.36 214
  28 3.48 35
  29 10.41 104
  39 15.36 154
  40 1.74 17
  41 38.65 387
  42 6.13 61
  43 60.5 605
  44 2 20
  53 4.68 47
  54 10.03 100
  55 27.8 278
  56 3.4 34
  57 6.79 68
  67 23.98 240
  68 1.32 13
  71 99.99 999
  72 3.8 38
  81 2.59 26
  82 14.82 148
  83 10 100
  89 2.18 22
  99 2.79 28
  100 2.72 27
  170 1.33 13
//