ACCESSION: MSBNK-Keio_Univ-KO003345
RECORD_TITLE: 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M013

CH$NAME: 4-Methyl-5-thiazoleethanol
CH$NAME: 4-Methyl-5-(2'-hydroxyethyl)-thiazole
CH$NAME: 5-(2-Hydroxyethyl)-4-methylthiazole
CH$NAME: 4-Methyl-5-(2-hydroxyethyl)-thiazole
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$LINK: CHEBI 17957
CH$LINK: KEGG C04294
CH$LINK: NIKKAJI J5.626J
CH$LINK: PUBCHEM SID:6954
CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3044382

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 144
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-3900000000-f44ad5d4a3225d9b0bcc
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  39.100 69307.0 1
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  42.200 440594.5 5
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  61.100 74257.5 1
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  65.100 5391094.5 60
  66.200 178218.0 2
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  69.300 1247526.0 14
  70.000 455446.0 5
  70.900 10222782.5 113
  71.900 7193076.5 80
  72.900 589109.5 7
  77.900 480198.5 5
  79.300 198020.0 2
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  81.200 1143565.5 13
  82.200 381188.5 4
  83.900 569307.5 6
  85.100 5707926.5 63
  86.200 5475253.0 61
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  90.900 14851.5 1
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  95.100 99010.0 1
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  98.000 2519804.5 28
  98.900 3500003.5 39
  99.700 64356.5 1
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//