ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009169
RECORD_TITLE: 2-ACETYLTHIOPHENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 2-ACETYLTHIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆OS
CH$EXACT_MASS: 126.01394
CH$SMILES: CC(=O)c(c1)scc1
CH$IUPAC: InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
CH$LINK: INCHIKEY WYJOVVXUZNRJQY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2058960

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-7900000000-857b33ff69870de2f340
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 3.62 36
  26 1.16 12
  27 1.31 13
  37 2.53 25
  38 3.77 38
  39 32.52 325
  42 1.95 20
  43 18.09 181
  45 11.43 114
  49 1.37 14
  50 2.76 28
  51 1.68 17
  53 1.94 19
  57 9.72 97
  58 3.7 37
  69 2.85 29
  81 2.63 26
  82 3.04 30
  83 12.82 128
  84 2.14 21
  97 1.09 11
  111 99.99 999
  112 6.74 67
  113 3.59 36
  126 41.99 420
  127 2.54 25
  128 1.54 15
//