ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007783
RECORD_TITLE: 2-HEPTANOYLTHIOPHENE; 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$NAME: 2-HEPTANOYLTHIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16OS
CH$EXACT_MASS: 196.09219
CH$SMILES: CCCCCCC(=O)c(c1)scc1
CH$IUPAC: InChI=1S/C11H16OS/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-5,7H2,1H3
CH$LINK: INCHIKEY BDNFJEMAAFFMFH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40184737
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$SPLASH: splash10-01t9-1900000000-60b99b31d0244c694924
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  28 1.05 11
  29 2.18 22
  39 2.82 28
  41 3.96 40
  43 7.02 70
  55 5.1 51
  56 1 10
  57 1.01 10
  69 1.03 10
  83 2.85 29
  84 4.88 49
  85 1 10
  97 3.01 30
  98 1.01 10
  111 78.51 785
  112 5.76 58
  113 5.8 58
  126 99.99 999
  127 10.67 107
  128 6.81 68
  139 13.88 139
  140 1.93 19
  153 1.02 10
  163 1 10
  196 5.92 59
//
