ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007774
RECORD_TITLE: 2-ETHYLTHIOPHENE; 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$NAME: 2-ETHYLTHIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₈S
CH$EXACT_MASS: 112.03467
CH$SMILES: CCc(c1)scc1
CH$IUPAC: InChI=1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
CH$LINK: CAS 872-55-9
CH$LINK: INCHIKEY JCCCMAAJYSNBPR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90862452

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$SPLASH: splash10-01ot-9300000000-e7bc5eb1d41d9e60117f
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 1.96 20
  29 1.83 18
  39 11.02 110
  41 6.98 70
  45 46.98 470
  46 1.01 10
  47 3.94 39
  51 2.92 29
  52 1.97 20
  53 44.78 448
  54 1.02 10
  58 6.01 60
  59 1.82 18
  65 3.1 31
  66 1.97 20
  67 15.01 150
  69 5.12 51
  70 1.97 20
  71 7 70
  84 16.93 169
  85 8.78 88
  86 1.98 20
  96 1.99 20
  97 99.99 999
  98 33.84 338
  99 34.92 349
  100 2 20
  109 1.96 20
  110 3.97 40
  111 42.81 428
  112 80.91 809
  113 19.99 200
//