ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007784
RECORD_TITLE: 2-OCTANOYLTHIOPHENE; 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$NAME: 2-OCTANOYLTHIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18OS
CH$EXACT_MASS: 210.10784
CH$SMILES: CCCCCCCC(=O)c(c1)scc1
CH$IUPAC: InChI=1S/C12H18OS/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-10H,2-6,8H2,1H3
CH$LINK: INCHIKEY QRJZCQOLJVIBDE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00184738
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$SPLASH: splash10-01t9-1900000000-d84593d4920869319e61
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  29 1.92 19
  39 3.46 35
  41 3.21 32
  43 3.88 39
  55 7.18 72
  56 1.06 11
  57 3.92 39
  83 3.62 36
  84 5.65 57
  97 3.44 34
  98 2.27 23
  111 71.23 712
  112 6.78 68
  113 8.27 83
  126 99.99 999
  127 15.36 154
  128 7.81 78
  139 25.9 259
  140 1.85 19
  177 1 10
  210 6.54 65
//
