ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006984
RECORD_TITLE: METHYL HEXANOATE; 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$NAME: METHYL HEXANOATE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00dl-9000000000-a2223723dd919d58ae77
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 8.48 85
  26 1.23 12
  27 15.35 154
  29 13.07 131
  31 2.08 21
  39 11.87 119
  41 22.13 221
  42 11.28 113
  43 39.88 399
  44 1.51 15
  45 1.96 20
  53 1.45 15
  55 12.69 127
  56 1.68 17
  57 4.2 42
  59 21.15 212
  69 2.99 30
  70 3.76 38
  71 8.63 86
  73 1.23 12
  74 99.99 999
  75 5.09 51
  87 32.45 325
  88 4.49 45
  99 19.89 199
  100 1.19 12
  101 8.04 80
//