ACCESSION: MSBNK-Keio_Univ-KO003343
RECORD_TITLE: 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0006-0900000000-78f29564099d057faa39
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  55.200 39604.0 1
  58.200 49505.0 1
  58.700 44554.5 1
  64.900 400990.5 2
  67.000 158416.0 1
  68.200 544555.0 2
  69.000 103960.5 1
  71.200 262376.5 1
  71.900 79208.0 1
  73.000 940595.0 4
  79.100 29703.0 1
  80.000 287129.0 1
  81.100 925743.5 4
  82.000 108911.0 1
  82.900 29703.0 1
  84.000 44554.5 1
  85.000 1237625.0 5
  86.300 59406.0 1
  87.300 460396.5 2
  91.800 49505.0 1
  97.000 257426.0 1
  98.000 3465350.0 14
  99.000 4034657.5 16
  100.200 64356.5 1
  100.900 24752.5 1
  109.200 821783.0 3
  112.100 1400991.5 6
  113.200 53792133.0 216
  113.900 6024758.5 24
  116.200 79208.0 1
  126.100 40742615.0 164
  127.300 331683.5 1
  143.300 168317.0 1
  144.100 248762625.0 999
//