ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002879
RECORD_TITLE: ETHYL PELARGONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000l-9100000000-486ab8e24881488c2e5e
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 11.87 119
  28 3.99 40
  29 32.33 323
  39 5.4 54
  41 24.74 247
  42 9 90
  43 30.4 304
  45 11.12 111
  55 21.65 217
  56 7.53 75
  57 21.72 217
  60 25.47 255
  61 21.11 211
  67 2.11 21
  69 9.22 92
  70 23.59 236
  71 14.12 141
  73 23.43 234
  74 3.36 34
  81 2.79 28
  83 5.05 51
  84 4.52 45
  87 3.24 32
  88 99.99 999
  89 8.16 82
  97 3.93 39
  101 37.77 378
  102 3.48 35
  115 6.82 68
  129 2.88 29
  141 20.26 203
  143 7.87 79
  157 6.43 64
  186 2.78 28
//