ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007777
RECORD_TITLE: 2-HEXYLTHIOPHENE; 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$NAME: 2-HEXYLTHIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16S
CH$EXACT_MASS: 168.09727
CH$SMILES: CCCCCCc(c1)scc1
CH$IUPAC: InChI=1S/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3
CH$LINK: CAS 18794-77-9
CH$LINK: INCHIKEY QZVHYFUVMQIGGM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50172120
AC$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: splash10-0002-9200000000-d7124f84ce2fcff5ade0
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  27 2.86 29
  29 8.02 80
  39 1.92 19
  41 8.52 85
  42 1.01 10
  43 10.87 109
  45 5.88 59
  53 5.9 59
  55 3.1 31
  56 1.01 10
  57 1.95 20
  58 1.01 10
  65 1.03 10
  67 2.15 22
  69 1.03 10
  77 2.01 20
  78 1.05 11
  79 1.04 10
  84 7.34 73
  85 3.98 40
  86 1.02 10
  87 1.01 10
  95 1.03 10
  96 2.12 21
  97 99.99 999
  98 44.88 449
  99 12.84 128
  100 1.9 19
  109 12.98 130
  110 2.05 21
  111 8.95 90
  112 1.03 10
  125 2.11 21
  135 1.02 10
  139 2.09 21
  168 20.04 200
  169 1.96 20
  170 1.06 11
//
