MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007779

2-ACETYLTHIOPHENE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007779
RECORD_TITLE: 2-ACETYLTHIOPHENE; 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

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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

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-03fr-3900000000-f96bcae1b452aa83d4c8
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  39 34.08 341
  43 15.82 158
  57 2.66 27
  58 4.24 42
  69 1.04 10
  82 1 10
  83 12.63 126
  84 2.12 21
  98 2.18 22
  111 99.99 999
  112 7.92 79
  113 5.83 58
  126 58.32 583
  128 2.08 21
//