MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007802

4-METHYL-5-THIAZOLEETHANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007802
RECORD_TITLE: 4-METHYL-5-THIAZOLEETHANOL; 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$NAME: 4-METHYL-5-THIAZOLEETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₉NOS
CH$EXACT_MASS: 143.04048
CH$SMILES: OCCc(s1)c(C)nc1
CH$IUPAC: InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
CH$LINK: CAS 137-00-8
CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3044382

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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$SPLASH: splash10-03di-3900000000-373fe84bca11e1b9a8e8
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  31 3.9 39
  45 17.11 171
  53 3.12 31
  55 2.03 20
  68 3.09 31
  71 3.16 32
  72 5.14 51
  80 1.02 10
  85 32.16 322
  86 7.24 72
  87 2.11 21
  98 2.19 22
  99 1.08 11
  100 4 40
  112 99.99 999
  113 72.24 722
  114 10.73 107
  115 3.12 31
  125 1.05 11
  143 44.43 444
  144 5.08 51
  145 2.26 23
//