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MassBank Record: KO003342

4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003342
RECORD_TITLE: 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0006-0900000000-752807b0316740b2f094
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  36.800 84158.5 1
  54.000 138614.0 1
  61.300 39604.0 1
  68.100 34653.5 1
  70.900 59406.0 1
  77.800 44554.5 1
  79.900 74257.5 1
  81.200 89109.0 1
  83.100 113861.5 1
  84.000 108911.0 1
  84.800 74257.5 1
  90.800 44554.5 1
  98.100 262376.5 1
  98.800 316832.0 1
  108.900 2074259.5 4
  111.000 24752.5 1
  112.500 242574.5 1
  113.100 3079211.0 6
  114.200 400990.5 1
  125.900 4712876.0 9
  127.000 2980201.0 5
  144.100 547178765.0 999
  161.800 54455.5 1
//

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