ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007786
RECORD_TITLE: 2-METHYL-5-PROPIONYLTHIOPHENE; 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$NAME: 2-METHYL-5-PROPIONYLTHIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10OS
CH$EXACT_MASS: 154.04524
CH$SMILES: CCC(=O)c(c1)sc(C)c1
CH$IUPAC: InChI=1S/C8H10OS/c1-3-7(9)8-5-4-6(2)10-8/h4-5H,3H2,1-2H3
CH$LINK: INCHIKEY ROPOMQPSWIOWSN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40342279
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$SPLASH: splash10-0fb9-4900000000-b9ecb96d90cba0c1ee5a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  29 6.12 61
  41 1.46 15
  42 1.38 14
  43 9.68 97
  53 52 520
  54 1.98 20
  55 4.11 41
  57 2.21 22
  59 1.03 10
  60 3.59 36
  69 1.14 11
  73 1.13 11
  75 2.1 21
  96 1.09 11
  97 28.23 282
  98 1.92 19
  99 1.06 11
  101 4.67 47
  124 1.05 11
  125 99.99 999
  126 28.12 281
  127 28.18 282
  128 1.04 10
  139 1.87 19
  143 1.02 10
  154 54.51 545
  155 13.21 132
  156 6.52 65
//
