ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007781
RECORD_TITLE: 2-BUTYRYLTHIOPHENE; 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$NAME: 2-BUTYRYLTHIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10OS
CH$EXACT_MASS: 154.04524
CH$SMILES: CCCC(=O)c(c1)scc1
CH$IUPAC: InChI=1S/C8H10OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3
CH$LINK: INCHIKEY YXHIINNJOGKPLF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10201480
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$SPLASH: splash10-03dr-9700000000-d1bc4965f6fde2d69dad
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 26.12 261
  28 1.65 17
  29 5.56 56
  39 84.02 840
  40 5.44 54
  41 28.23 282
  42 7.62 76
  43 35.88 359
  44 1.81 18
  45 10.46 105
  53 5.73 57
  55 17.91 179
  57 5.54 55
  58 7.2 72
  62 5.86 59
  69 4.78 48
  70 1.06 11
  71 4.76 48
  82 3.42 34
  83 31.32 313
  84 13.11 131
  85 4.98 50
  97 10.63 106
  98 1.02 10
  111 99.99 999
  112 25.36 254
  113 22.48 225
  114 1.86 19
  125 1 10
  126 32.08 321
  127 5.41 54
  128 3.56 36
  139 10.27 103
  153 1 10
  154 45.13 451
  155 7.43 74
  156 3.38 34
//
