ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001309
RECORD_TITLE: ACETIC ACID HEPTYL ESTER; 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$NAME: ACETIC ACID HEPTYL ESTER
CH$NAME: HEPTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
CH$LINK: INCHIKEY ZCZSIDMEHXZRLG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9047124

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-052f-9000000000-853410267495be366ea2
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 3.28 33
  27 8.37 84
  28 3.6 36
  29 12.08 121
  31 1.69 17
  39 5.72 57
  41 26.48 265
  42 18.54 185
  43 99.99 999
  44 3.07 31
  54 3.28 33
  55 29.77 298
  56 46.08 461
  57 13.67 137
  58 3.39 34
  61 21.19 212
  68 4.56 46
  69 19.28 193
  70 35.49 355
  71 2.86 29
  73 6.78 68
  83 3.6 36
  97 1.48 15
  98 9.11 91
  101 1.17 12
  116 1 10
//