ACCESSION: JP005302
RECORD_TITLE: HEXANOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEXANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCCC(=O)OC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY NUKZAGXMHTUAFE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047616

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00di-9000000000-1c6d18f72b4323dcbb3d
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 11.76 118
  26 1.12 11
  27 12.97 130
  28 3.26 33
  29 12.22 122
  31 2.05 21
  39 8.58 86
  40 1.49 15
  41 17.45 175
  42 6.34 63
  43 28.28 283
  44 1.49 15
  45 1.77 18
  53 1.3 13
  55 7.09 71
  56 1.21 12
  57 3.26 33
  59 12.22 122
  69 2.24 22
  70 2.24 22
  71 8.31 83
  73 1.21 12
  74 99.99 999
  75 5.04 50
  83 28.65 287
  84 3.54 35
  99 18.66 187
  100 1.3 13
  101 6.7 67
  130 1.21 12
//