ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010312
RECORD_TITLE: DODECYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: DODECYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₂
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCCCCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3
CH$LINK: INCHIKEY VZWGRQBCURJOMT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047641

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-052f-9000000000-64ad0560576ca0778cb8
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  26 1.43 14
  27 3.66 37
  29 5.35 54
  38 1.32 13
  39 5.58 56
  40 1.61 16
  41 21.69 217
  42 6.46 65
  43 99.99 999
  44 2.92 29
  53 1.38 14
  54 3.31 33
  55 20.3 203
  56 15.02 150
  57 12.72 127
  58 13.47 135
  59 1.35 14
  61 12.08 121
  67 2.86 29
  68 4.09 41
  69 11.32 113
  70 9.48 95
  71 3.53 35
  73 1.89 19
  82 4.22 42
  83 8.79 88
  84 5.54 55
  85 1.71 17
  96 1.37 14
  97 4.78 48
  98 2.84 28
  111 1.22 12
//