ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007040
RECORD_TITLE: 3-NONANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 3-NONANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O
CH$EXACT_MASS: 142.13577
CH$SMILES: CCCCCCC(=O)CC
CH$IUPAC: InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY IYTXKIXETAELAV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1061289

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$SPLASH: splash10-054o-9000000000-576b2a3e3912b972f8c1
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 1.13 11
  26 1.88 19
  27 31.86 319
  28 3.25 33
  29 62.78 628
  30 1.23 12
  39 13.35 134
  40 1.04 10
  41 30.38 304
  42 6.58 66
  43 99.99 999
  44 2.81 28
  53 2.36 24
  55 10.24 102
  56 3.41 34
  57 82.36 824
  58 2.39 24
  68 1.09 11
  69 1.83 18
  71 1.34 13
  72 64.76 648
  73 9.57 96
  85 24.97 250
  86 1.78 18
  95 2.26 23
  99 1.42 14
  113 35.57 356
  114 2.22 22
  142 2.4 24
//