ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000265
RECORD_TITLE: 2-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$NAME: 2-NONANONE
CH$NAME: METHYL HEPTYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O
CH$EXACT_MASS: 142.13577
CH$SMILES: CCCCCCCC(C)=O
CH$IUPAC: InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
CH$LINK: INCHIKEY VKCYHJWLYTUGCC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2022125

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$SPLASH: splash10-0a4l-9000000000-0fe4be17f047f1cbaf58
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  14 1.1 11
  15 4.6 46
  27 12.2 122
  28 0.29 3
  29 14.1 141
  39 8.9 89
  40 1.6 16
  41 2.26 23
  42 5.5 55
  43 80.9 809
  44 1.9 19
  53 0.2 2
  55 8.9 89
  56 4.2 42
  57 22.9 229
  58 99.99 999
  59 24.6 246
  67 2.7 27
  68 1.2 12
  69 0.21 2
  70 1.2 12
  71 19.9 199
  72 2.2 22
  82 0.41 4
  83 1 10
  85 4.4 44
  86 4.5 45
  87 0.14 1
  95 1.2 12
  99 2.5 25
  100 2.4 24
  113 0.14 1
  127 3 30
  142 9.4 94
  143 1.2 12
//