ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008310
RECORD_TITLE: ETHYL PELARGONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL PELARGONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY BYEVBITUADOIGY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1047651

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-000l-9100000000-25aeab30af507c69c9d5
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  15 0.58 6
  18 0.54 5
  26 0.47 5
  27 11.87 119
  28 3.99 40
  29 32.33 323
  30 0.76 8
  31 0.62 6
  39 5.4 54
  40 1.43 14
  41 24.74 247
  42 9 90
  43 30.4 304
  44 1.39 14
  45 11.12 111
  46 0.3 3
  53 1.66 17
  54 1.29 13
  55 21.65 217
  56 7.53 75
  57 21.72 217
  58 1.28 13
  59 1.87 19
  60 25.47 255
  61 21.11 211
  62 0.63 6
  67 2.11 21
  68 1.71 17
  69 9.22 92
  70 23.59 236
  71 14.12 141
  72 0.79 8
  73 23.43 234
  74 3.36 34
  75 0.59 6
  79 0.35 4
  81 2.79 28
  82 0.37 4
  83 5.05 51
  84 4.52 45
  85 0.78 8
  87 3.24 32
  88 99.99 999
  89 8.16 82
  90 0.62 6
  93 0.18 2
  94 0.34 3
  95 0.52 5
  96 0.73 7
  97 3.93 39
  98 1.83 18
  99 0.29 3
  101 37.77 378
  102 3.48 35
  103 0.35 4
  111 0.96 10
  112 1.13 11
  113 0.12 1
  115 6.82 68
  116 0.72 7
  121 0.24 2
  122 0.15 2
  123 0.96 10
  125 0.24 2
  129 2.88 29
  130 0.51 5
  139 0.89 9
  140 0.21 2
  141 20.26 203
  142 1.96 20
  143 7.87 79
  144 0.96 10
  157 6.43 64
  158 0.85 9
  159 1.09 11
  186 2.78 28
  187 0.62 6
//