ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007775
RECORD_TITLE: 2-BUTYLTHIOPHENE; 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$NAME: 2-BUTYLTHIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H12S
CH$EXACT_MASS: 140.06597
CH$SMILES: CCCCc(c1)scc1
CH$IUPAC: InChI=1S/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
CH$LINK: CAS 1455-20-5
CH$LINK: INCHIKEY MNDZHERKKXUTOE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80163081
AC$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: splash10-0002-9100000000-3af915b9f9c815a34726
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 3.02 30
  29 3.04 30
  39 3.98 40
  41 5.98 60
  43 2.01 20
  45 11.88 119
  46 1 10
  53 10.02 100
  55 1.04 10
  58 1 10
  65 1.02 10
  67 3.06 31
  69 4.01 40
  71 2.14 21
  77 3.02 30
  78 1.02 10
  79 1.02 10
  84 6.02 60
  85 3.08 31
  91 1.02 10
  96 2.31 23
  97 99.99 999
  98 44.01 440
  99 18.12 181
  140 36.92 369
  141 4.88 49
  142 1.03 10
//
