ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009195
RECORD_TITLE: OCTANOIC ACID; 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$NAME: OCTANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
CH$LINK: INCHIKEY WWZKQHOCKIZLMA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021645

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$SPLASH: splash10-03kc-9000000000-74cfce03769b41313952
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  26 1.32 13
  27 23.45 235
  28 2.1 21
  29 22.9 229
  31 1.25 13
  39 16.41 164
  40 2.21 22
  41 39.41 394
  42 8.72 87
  43 38.86 389
  44 1.08 11
  45 13.41 134
  53 2.3 23
  54 1.38 14
  55 25.15 252
  56 6.18 62
  57 6.85 69
  58 1.15 12
  59 2.58 26
  60 99.99 999
  61 10.62 106
  67 1.49 15
  69 8.29 83
  70 1.39 14
  73 62.59 626
  74 5.49 55
  82 2.24 22
  83 3.4 34
  84 18.61 186
  85 20.41 204
  86 1.35 14
  87 8.28 83
  88 1.13 11
  97 1.55 16
  98 1.53 15
  101 17.86 179
  102 1.41 14
  115 5.94 59
  144 1.74 17
//