ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007778
RECORD_TITLE: 2-HEPTYLTHIOPHENE; 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$NAME: 2-HEPTYLTHIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H18S
CH$EXACT_MASS: 182.11292
CH$SMILES: CCCCCCCc(c1)scc1
CH$IUPAC: InChI=1S/C11H18S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3
CH$LINK: CAS 18794-78-0
CH$LINK: INCHIKEY FGGZOCMVJAJPMH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10172121
AC$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-c81ae9b279aa9d316860
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 1.02 10
  29 4.11 41
  39 1 10
  41 4.85 49
  43 12.82 128
  45 2.03 20
  53 3.02 30
  55 3 30
  67 2.04 20
  69 1.01 10
  84 7.99 80
  85 6.08 61
  86 1 10
  87 1.01 10
  96 1.82 18
  97 99.99 999
  98 59.82 598
  99 18 180
  100 4.02 40
  109 1.02 10
  110 1.88 19
  111 16.11 161
  112 1.68 17
  113 1.13 11
  119 1.03 10
  123 1.04 10
  125 1.04 10
  139 5.51 55
  149 1.04 10
  153 2.16 22
  154 1.24 12
  182 28.15 282
  183 4.16 42
  184 1.06 11
//
