ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010761
RECORD_TITLE: ETHYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL LAURATE
CH$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$LINK: COMPTOX DTXSID4047044
CH$LINK: INCHIKEY MMXKVMNBHPAILY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7800

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-000i-9200000000-9c0b8381b214359f116b
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  27 7.3 73
  28 2.6 26
  29 22.7 227
  39 0.33 3
  40 1.1 11
  41 24.9 249
  42 7 70
  43 2.67 27
  44 1.1 11
  45 7.3 73
  53 1.8 18
  54 0.18 2
  55 17.6 176
  56 4.4 44
  57 14.7 147
  59 0.11 1
  60 12.1 121
  61 14.7 147
  67 2.2 22
  68 0.15 2
  69 8.8 88
  70 13.2 132
  71 5.1 51
  73 1.47 15
  74 2.2 22
  81 1.8 18
  82 1.1 11
  83 0.59 6
  84 3.7 37
  85 3.3 33
  87 2.2 22
  88 99.99 999
  89 12.8 128
  90 1.1 11
  95 2.2 22
  97 0.44 4
  98 2.9 29
  101 38.8 388
  102 3.7 37
  109 0.15 2
  111 1.5 15
  115 4.8 48
  125 1.1 11
  129 0.33 3
  130 1.1 11
  143 4.8 48
  144 1.1 11
  157 0.84 8
  158 1.1 11
  171 1.5 15
  183 9.9 99
  184 0.15 2
  185 5.9 59
  186 1.5 15
  199 2.2 22
  228 1.5 15
  229 2.6 26
//