ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007740
RECORD_TITLE: 2-HEXANOYLFURAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 2-HEXANOYLFURAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₂
CH$EXACT_MASS: 166.09938
CH$SMILES: CCCCCC(=O)c(c1)occ1
CH$IUPAC: InChI=1S/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3
CH$LINK: INCHIKEY YUAYWSBSIJVIBS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1065760

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03dj-9800000000-220b2d3e9bdc24ed11a1
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 1.98 20
  29 2.96 30
  39 8.9 89
  40 1.03 10
  41 6.06 61
  42 4.11 41
  43 12.08 121
  53 2.02 20
  54 4.01 40
  55 12.06 121
  56 1 10
  61 3.05 31
  67 3.04 30
  68 9.91 99
  69 1.01 10
  70 2.95 30
  80 1.01 10
  81 8.12 81
  82 2.23 22
  94 1.03 10
  95 72.74 727
  96 7.98 80
  97 2.94 29
  109 1 10
  110 99.99 999
  111 16.81 168
  112 1.01 10
  123 27.98 280
  124 3.02 30
  137 2.07 21
  138 2 20
  166 1.02 10
//