ACCESSION: JP009185
RECORD_TITLE: HEXANOIC 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$NAME: HEXANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCCCC(O)=O
CH$IUPAC: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
CH$LINK: INCHIKEY FUZZWVXGSFPDMH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021607

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$SPLASH: splash10-03di-9000000000-f4bf00b677d90d54ba69
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 1.25 13
  18 1.78 18
  26 1.79 18
  27 20.15 202
  28 2.66 27
  29 12.93 129
  31 2 20
  39 10.15 102
  40 1.83 18
  41 26.73 267
  42 8.72 87
  43 14.14 141
  45 12.24 122
  53 1.5 15
  55 8.92 89
  56 7.42 74
  57 7.73 77
  59 1.83 18
  60 99.99 999
  61 7.54 75
  69 2.56 26
  70 2.8 28
  73 43.43 434
  74 5.23 52
  87 9.35 94
//