ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006814
RECORD_TITLE: HEPTYL 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$NAME: HEPTYL ACETATE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052f-9000000000-3768aad8cf9bcfef7e17
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 4.05 41
  27 10.41 104
  28 2.11 21
  29 12.69 127
  31 1 10
  39 7.25 73
  40 1.32 13
  41 24.61 246
  42 16.1 161
  43 99.99 999
  44 2.68 27
  53 1.4 14
  54 2.75 28
  55 26.8 268
  56 39.92 399
  57 13.03 130
  58 2.65 27
  61 24.19 242
  67 1.02 10
  68 5.15 52
  69 18.96 190
  70 38.23 382
  71 2.53 25
  73 7.27 73
  83 3.53 35
  97 1.72 17
  98 17.83 178
  99 1.19 12
  101 1.09 11
  116 1.7 17
//