ACCESSION: MSBNK-Keio_Univ-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.
  40.900 44554.5 1
  44.700 163366.5 1
  53.100 143564.5 1
  55.200 539604.5 3
  56.900 64356.5 1
  57.300 24752.5 1
  59.000 688119.5 3
  65.100 4886143.5 24
  65.900 64356.5 1
  67.100 227723.0 1
  67.900 787129.5 4
  69.100 316832.0 2
  70.000 648515.5 3
  71.100 1445546.0 7
  71.900 2420794.5 12
  72.800 1797031.5 9
  79.000 94059.5 1
  80.000 3099013.0 15
  81.000 2193071.5 11
  82.200 336634.0 2
  83.900 202970.5 1
  85.000 2722775.0 13
  86.100 2133665.5 10
  87.300 1133664.5 6
  89.200 24752.5 1
  91.600 34653.5 1
  92.200 94059.5 1
  93.000 158416.0 1
  94.200 39604.0 1
  96.000 148515.0 1
  97.000 1480199.5 7
  98.000 4247529.0 21
  98.900 9361395.5 46
  99.900 163366.5 1
  102.100 29703.0 1
  109.200 44554.5 1
  109.900 39604.0 1
  111.100 29703.0 1
  112.100 17346552.0 85
  113.100 204010105.0 999
  114.200 4465351.0 22
  115.300 24752.5 1
  124.000 99010.0 1
  126.100 44415886.0 217
  127.300 19802.0 1
  143.100 39604.0 1
  144.100 32826765.5 161
//