ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002580
RECORD_TITLE: 5-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$NAME: 5-NONANONE
CH$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: INCHIKEY WSGCRAOTEDLMFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022045

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$SPLASH: splash10-0a4i-9000000000-fa8c242876cff36ca65d
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 1.4 14
  26 1.2 12
  27 17.92 179
  28 7.24 72
  29 41.01 410
  30 1.09 11
  39 9.05 91
  40 1.35 14
  41 36.22 362
  42 3.06 31
  43 5.2 52
  53 2.07 21
  55 4.9 49
  56 1.99 20
  57 99.99 999
  58 78.04 780
  59 5.66 57
  71 6.86 69
  72 3.98 40
  84 1.1 11
  85 88.14 881
  86 5.36 54
  100 8.91 89
  113 5.51 55
  142 15.75 158
  143 1.73 17
//