ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006823
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052f-9000000000-a75b64a9557dc1692b4f
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  15 1.91 19
  27 6.98 70
  28 1.5 15
  29 14.85 149
  39 4.62 46
  40 1.01 10
  41 33.45 335
  42 12.07 121
  43 99.99 999
  44 2.66 27
  53 2.02 20
  54 4.56 46
  55 37.06 371
  56 30.72 307
  57 25.56 256
  58 2.08 21
  61 32.66 327
  67 4.96 50
  68 12.22 122
  69 33.86 339
  70 28.52 285
  71 10.77 108
  73 4.05 41
  81 2.58 26
  82 14.75 148
  83 30.67 307
  84 18.67 187
  85 4.48 45
  96 4.88 49
  97 21.7 217
  98 11.57 116
  99 1.18 12
  110 1.75 18
  111 10.84 108
  112 4.91 49
  116 3.23 32
  125 3.34 33
  126 2.38 24
  139 1.23 12
  140 7.65 77
  168 6.7 67
  169 1.08 11
//