ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007716
RECORD_TITLE: DODECYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE 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$LINK: CAS 112-66-3
CH$LINK: INCHIKEY VZWGRQBCURJOMT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047641

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-0006-9000000000-fb958cc82dfb2c5494f3
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  40 1.6 16
  41 35.1 351
  42 12.7 127
  43 99.99 999
  44 3.4 34
  53 1.6 16
  54 3.7 37
  55 2.81 28
  56 21.4 214
  57 17.5 175
  58 1.9 19
  61 1.88 19
  67 3.6 36
  68 6.3 63
  69 19.2 192
  70 1.49 15
  71 5.4 54
  73 2.2 22
  81 1.4 14
  82 0.65 7
  83 13.6 136
  84 7.9 79
  85 2.4 24
  96 0.25 3
  97 9.6 96
  98 4.8 48
  99 0.5 5
  101 0.04 0
  110 0.7 7
  111 3.7 37
  112 1.9 19
  116 0.1 1
  124 0.3 3
  125 1.3 13
  126 0.7 7
  139 0.03 0
  140 1.6 16
  141 0.2 2
  168 0.6 6
  169 0.1 1
//