ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008596
RECORD_TITLE: 3-DODECANONE; 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$NAME: 3-DODECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O
CH$EXACT_MASS: 184.18272
CH$SMILES: CCCCCCCCCC(=O)CC
CH$IUPAC: InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-11H2,1-2H3
CH$LINK: INCHIKEY PERIHWAPLOBAJM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00165320

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$SPLASH: splash10-05i3-9000000000-2e9e147fc157b6a88b7e
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  26 1.11 11
  27 21.67 217
  29 62.99 630
  30 1.23 12
  39 9.79 98
  41 38.54 385
  42 9.46 95
  43 56.38 564
  44 1.34 13
  53 2.78 28
  54 1.86 19
  55 19.21 192
  56 5.02 50
  57 89.02 890
  58 2.48 25
  67 3.62 36
  68 1.6 16
  69 5.26 53
  70 1.97 20
  71 27.99 280
  72 99.99 999
  73 24.16 242
  81 4.74 47
  82 1.07 11
  83 1.87 19
  84 1.1 11
  85 29.72 297
  86 1.82 18
  95 4.81 48
  96 1.4 14
  99 2.09 21
  110 2.1 21
  155 25.54 255
  156 2.25 23
  184 1.83 18
//