ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006536
RECORD_TITLE: TRANS-2-HEXENYL PROPIONATE; 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$NAME: TRANS-2-HEXENYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₂
CH$EXACT_MASS: 156.11503
CH$SMILES: CCCC=CCOC(=O)CC
CH$IUPAC: InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+
CH$LINK: INCHIKEY LPWKTEHEFDVAQS-VOTSOKGWSA-N
CH$LINK: COMPTOX DTXSID30886051

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$SPLASH: splash10-0a4i-9000000000-fd16154f2b66da8adddd
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  26 1.13 11
  27 13.76 138
  28 3.5 35
  29 29.32 293
  39 9.51 95
  40 1.21 12
  41 19.66 197
  42 2.23 22
  43 1.82 18
  53 4.03 40
  54 7 70
  55 18.18 182
  56 4.02 40
  57 99.99 999
  58 3.43 34
  67 21.77 218
  68 1.24 12
  75 2.59 26
  81 2.85 29
  82 13.23 132
  83 7.62 76
  85 1.06 11
  99 2.87 29
  100 4.35 44
  114 1.27 13
  127 1.54 15
  156 1.58 16
//