ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006813
RECORD_TITLE: CIS-3-HEPTENYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CIS-3-HEPTENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₂
CH$EXACT_MASS: 156.11503
CH$SMILES: CCCC=CCCOC(C)=O
CH$IUPAC: InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5-
CH$LINK: INCHIKEY AAYIYWGTGAUKQY-WAYWQWQTSA-N

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$SPLASH: splash10-0006-9000000000-7e9c9fade1cabee8700f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 5.71 57
  27 10.9 109
  28 2.19 22
  29 7.54 75
  39 11.9 119
  40 1.59 16
  41 17.34 173
  42 3.87 39
  43 99.99 999
  44 2.11 21
  51 1.2 12
  53 4.94 49
  54 52.49 525
  55 17.8 178
  56 1.05 11
  65 1.35 14
  67 24.38 244
  68 5.63 56
  73 3.03 30
  79 1.39 14
  81 34.17 342
  82 2.24 22
  95 1.56 16
  96 25.73 257
  97 2.33 23
//