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MassBank Record: KO003346

4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003346
RECORD_TITLE: 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-03di-9700000000-33a95f67a6613491886d
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  39.200 188119.0 7
  41.100 99010.0 4
  42.200 628713.5 25
  44.300 49505.0 2
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  56.400 44554.5 2
  58.300 103960.5 4
  59.200 663367.0 26
  61.000 49505.0 2
  65.200 1732675.0 69
  66.100 188119.0 7
  67.000 133663.5 5
  68.100 945545.5 37
  69.300 1044555.5 41
  70.200 306931.0 12
  71.000 12658428.5 502
  71.800 2990102.0 118
  72.800 153465.5 6
  77.900 896040.5 36
  79.300 207921.0 8
  80.000 6099016.0 242
  81.100 415842.0 16
  82.300 74257.5 3
  83.300 49505.0 2
  84.000 500000.5 20
  85.000 8019810.0 318
  86.100 1717823.5 68
  93.900 24752.5 1
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  96.200 509901.5 20
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  98.000 1113862.5 44
  99.200 455446.0 18
  110.700 64356.5 3
  112.300 25212896.5 999
  113.100 9717831.5 385
  113.800 39604.0 2
  126.000 425743.0 17
//

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