ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010913
RECORD_TITLE: ETHYL UNDECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL UNDECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆O₂
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY IAFQYUQIAOWKSB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6060846

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$SPLASH: splash10-000l-9100000000-0c6e446855e040b6121c
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  16 1.2 12
  26 1.1 11
  27 12.2 122
  29 28.3 283
  30 1.1 11
  31 1.6 16
  39 5.7 57
  41 32.4 324
  42 8.9 89
  43 31.4 314
  45 7.6 76
  53 1.9 19
  54 1.8 18
  55 23.3 233
  56 5.3 53
  57 14.2 142
  59 1.3 13
  60 17.9 179
  61 14.9 149
  67 2.5 25
  68 1.6 16
  69 10.2 102
  70 13.2 132
  71 4.7 47
  73 19.6 196
  74 2.2 22
  81 1.8 18
  82 1.2 12
  83 5.7 57
  84 3.8 38
  85 3.7 37
  87 2.6 26
  88 99.99 999
  89 8.6 86
  95 2.1 21
  97 3.1 31
  98 3.2 32
  101 43 430
  102 3.4 34
  111 1.1 11
  115 4.9 49
  129 2.2 22
  143 3.7 37
  157 5.5 55
  169 10.6 106
  170 1.3 13
  171 4.4 44
  185 1.4 14
  214 3.2 32
//