ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007776
RECORD_TITLE: 2-PENTYLTHIOPHENE; 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$NAME: 2-PENTYLTHIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₄S
CH$EXACT_MASS: 154.08162
CH$SMILES: CCCCCc(c1)scc1
CH$IUPAC: InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
CH$LINK: CAS 4861-58-9
CH$LINK: INCHIKEY NOYVOSGVFSEKPR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8063628

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$SPLASH: splash10-0002-9200000000-67b9e327bdc1a8ebc8c9
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 1.26 13
  29 10.38 104
  39 2.18 22
  41 11.24 112
  42 1.02 10
  43 8.63 86
  53 8.65 87
  55 2.09 21
  63 1.88 19
  65 1.16 12
  67 3.24 32
  77 2.36 24
  78 1.06 11
  79 2.25 23
  84 10.64 106
  85 6.42 64
  97 99.99 999
  98 51.49 515
  99 23.72 237
  100 3.78 38
  110 2.23 22
  111 16.19 162
  112 3.46 35
  121 1.09 11
  125 1.06 11
  154 37.54 375
  155 7.55 76
  156 3.41 34
//