MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007803

2-ACETYLTHIAZOLE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007803
RECORD_TITLE: 2-ACETYLTHIAZOLE; 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$NAME: 2-ACETYLTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₅NOS
CH$EXACT_MASS: 127.00918
CH$SMILES: CC(=O)c(n1)scc1
CH$IUPAC: InChI=1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3
CH$LINK: INCHIKEY MOMFXATYAINJML-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0030162

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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$SPLASH: splash10-0006-9200000000-09ede6c9882c955094b1
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  42 1.96 20
  43 99.99 999
  44 2.86 29
  57 10.88 109
  58 32 320
  59 5.62 56
  83 1 10
  84 6.07 61
  85 12.7 127
  99 48.35 484
  100 3.18 32
  101 2.12 21
  112 24.27 243
  113 1 10
  114 1.01 10
  127 36.58 366
  128 2.04 20
  129 1.06 11
//