ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006821
RECORD_TITLE: DECYL 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$NAME: DECYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O₂
CH$EXACT_MASS: 200.17763
CH$SMILES: CCCCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3
CH$LINK: INCHIKEY NUPSHWCALHZGOV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047189

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$SPLASH: splash10-052f-9000000000-3f4fa52953f9fe2fb0d5
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  15 3.03 30
  27 7.89 79
  28 1.43 14
  29 14.69 147
  39 5.41 54
  40 1.01 10
  41 30.15 302
  42 14.62 146
  43 99.99 999
  44 2.65 27
  53 2.1 21
  54 3.7 37
  55 33.5 335
  56 32.11 321
  57 17.99 180
  58 2.22 22
  61 28.61 286
  67 3.79 38
  68 9.28 93
  69 27.19 272
  70 32.92 329
  71 7.94 79
  73 3.73 37
  81 1.29 13
  82 9.69 97
  83 24.51 245
  84 15.92 159
  85 3.77 38
  96 2.47 25
  97 15.24 152
  98 10.43 104
  101 1.07 11
  110 1.02 10
  111 8.34 83
  112 12.74 127
  113 1.07 11
  116 3.04 30
  140 7.71 77
//