ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002579
RECORD_TITLE: 4-NONANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-NONANONE
CH$NAME: PENTYL PROPYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O
CH$EXACT_MASS: 142.13577
CH$SMILES: CCCCCC(=O)CCC
CH$IUPAC: InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY TYBCSQFBSWACAA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5063493

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-ed1056ec4790ac686ee3
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 1.46 15
  27 19.7 197
  28 3.15 32
  29 13.14 131
  39 8.79 88
  40 1.63 16
  41 21.99 220
  42 4.87 49
  43 99.99 999
  44 3.38 34
  53 1.54 15
  55 5.84 58
  56 1.08 11
  57 2.43 24
  58 42.67 427
  59 1.86 19
  70 1.8 18
  71 57.81 578
  72 3.26 33
  86 23.91 239
  87 3.37 34
  99 43.67 437
  100 3.78 38
  142 11.83 118
  143 1.43 14
//