MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007797

2-ISOBUTYLTHIAZOLE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007797
RECORD_TITLE: 2-ISOBUTYLTHIAZOLE; 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$NAME: 2-ISOBUTYLTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₁NS
CH$EXACT_MASS: 141.06122
CH$SMILES: CC(C)Cc(n1)scc1
CH$IUPAC: InChI=1S/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3
CH$LINK: INCHIKEY CMPVUVUNJQERIT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5025653

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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$SPLASH: splash10-052b-9100000000-42de5c8a3fab9ee77f13
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 8.92 89
  28 1.62 16
  29 4.88 49
  39 3.94 39
  41 4.06 41
  42 23.88 239
  43 31.02 310
  44 1.02 10
  45 3.02 30
  54 8.98 90
  55 1.02 10
  56 1 10
  57 2.88 29
  58 48.95 490
  59 18.23 182
  60 2.02 20
  86 1.04 10
  98 10.53 105
  99 99.99 999
  100 10.54 105
  101 8.42 84
  126 20.02 200
  140 3.04 30
  141 2.08 21
//