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MassBank Record: KO003344

4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003344
RECORD_TITLE: 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-03di-1900000000-eed8b0468f9906ba231c
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
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  144.100 32826765.5 161
//

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