ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006906
RECORD_TITLE: OCTYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: OCTYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCCCOC(=O)CC
CH$IUPAC: InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY CEQGYPPMTKWBIU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3059717

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$SPLASH: splash10-0a6r-9000000000-85a6c9399d2a9ba7b4c4
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  26 1.5 15
  27 20.72 207
  28 6.76 68
  29 58.78 588
  30 1.18 12
  31 2.56 26
  39 8.01 80
  40 1.54 15
  41 33.75 338
  42 20.03 200
  43 31.17 312
  44 1.45 15
  53 2.01 20
  54 2.57 26
  55 27.06 271
  56 33.17 332
  57 99.99 999
  58 2.77 28
  67 2.01 20
  68 4.81 48
  69 20.7 207
  70 33.76 338
  71 10.62 106
  72 1.66 17
  74 1.82 18
  75 43.05 431
  76 1.15 12
  82 3.62 36
  83 18.94 189
  84 20.64 206
  85 1.58 16
  87 2.81 28
  97 1.65 17
  112 11.78 118
  113 1.02 10
  130 1.04 10
//