ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006547
RECORD_TITLE: ETHYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL LAURATE
CH$NAME: ETHYL DODECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₂
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCCCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3
CH$LINK: INCHIKEY MMXKVMNBHPAILY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4047044

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$SPLASH: splash10-000l-9100000000-3c72f0ffdafbe522391e
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  27 11.38 114
  29 29.33 293
  39 5.52 55
  41 31.42 314
  42 7.97 80
  43 31.35 314
  45 7.04 70
  53 1.63 16
  54 1.78 18
  55 24.72 247
  56 6.26 63
  57 15.74 157
  59 1.13 11
  60 14.13 141
  61 13.75 138
  67 2.47 25
  68 1.23 12
  69 10.49 105
  70 13.49 135
  71 5.75 58
  73 19.23 192
  74 2.14 21
  81 1.72 17
  83 6.43 64
  84 3.62 36
  85 2.6 26
  87 2.18 22
  88 99.99 999
  89 11.13 111
  95 1.71 17
  97 3.82 38
  98 2.87 29
  101 46.59 466
  102 3.25 33
  111 1.21 12
  115 3.8 38
  129 2.05 21
  143 3.4 34
  157 7.51 75
  171 1.09 11
  183 9.71 97
  184 1.14 11
  185 4.98 50
  199 1.72 17
  228 3.68 37
//