ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007782
RECORD_TITLE: 2-HEXANOYLTHIOPHENE; 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$NAME: 2-HEXANOYLTHIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14OS
CH$EXACT_MASS: 182.07654
CH$SMILES: CCCCCC(=O)c(c1)scc1
CH$IUPAC: InChI=1S/C10H14OS/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3
CH$LINK: INCHIKEY CVDZQNUYYOLFOO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60334297
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$SPLASH: splash10-01t9-1900000000-8aa73e5e1245913a0e3f
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 1.02 10
  28 2.64 26
  29 3.01 30
  39 8.54 85
  41 2.96 30
  42 1 10
  43 8.62 86
  55 7.97 80
  57 1.02 10
  70 1.02 10
  71 1.06 11
  83 5.85 59
  84 4.88 49
  85 1 10
  97 3.98 40
  98 1 10
  111 97.45 975
  112 7.73 77
  113 6.82 68
  126 99.99 999
  127 10.52 105
  128 5.6 56
  139 13.96 140
  140 1.03 10
  149 1.02 10
  182 6.23 62
//
