ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005761
RECORD_TITLE: 5-NONANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 5-NONANONE
CH$NAME: DIBUTYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O
CH$EXACT_MASS: 142.13577
CH$SMILES: CCCCC(=O)CCCC
CH$IUPAC: InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3
CH$LINK: CAS 502-56-7
CH$LINK: INCHIKEY WSGCRAOTEDLMFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022045

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-052f-9000000000-daac8be30e558abea4d6
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  38 0.68 7
  39 15.91 159
  40 2.66 27
  41 53.52 535
  42 20.12 201
  43 99.99 999
  44 3.6 36
  50 0.32 3
  51 0.78 8
  52 0.36 4
  53 2.26 23
  54 1.54 15
  55 13.52 135
  56 23.19 232
  57 92.08 921
  58 4.09 41
  67 0.63 6
  68 0.34 3
  69 3.18 32
  70 9.73 97
  71 25.36 254
  72 1.39 14
  83 0.66 7
  84 5.52 55
  85 15.96 160
  86 3.22 32
  98 2.65 27
  99 3.56 36
  100 0.19 2
  113 1.79 18
  114 0.11 1
  142 2.77 28
  143 0.29 3
//