MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007787

4-METHYLTHIAZOLE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007787
RECORD_TITLE: 4-METHYLTHIAZOLE; 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$NAME: 4-METHYLTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₅NS
CH$EXACT_MASS: 99.01427
CH$SMILES: Cc(n1)csc1
CH$IUPAC: InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
CH$LINK: CAS 693-95-8
CH$LINK: INCHIKEY QMHIMXFNBOYPND-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5027300

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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$SPLASH: splash10-00dj-9000000000-6548e81d140752f9aa7b
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 2.96 30
  39 52.16 522
  40 1.83 18
  41 1.82 18
  45 41.95 420
  46 9.92 99
  47 1.84 18
  52 2.94 29
  54 2.95 30
  58 5.87 59
  59 3.87 39
  69 1.84 18
  70 7.82 78
  71 99.99 999
  72 82.61 826
  73 18.75 188
  74 12.78 128
  98 9.98 100
  99 88.26 883
  100 26.81 268
  101 1.04 10
//