ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007793
RECORD_TITLE: 4-ETHYL-5-METHYLTHIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 4-ETHYL-5-METHYLTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₉NS
CH$EXACT_MASS: 127.04557
CH$SMILES: CCc(n1)c(C)sc1
CH$IUPAC: InChI=1S/C6H9NS/c1-3-6-5(2)8-4-7-6/h4H,3H2,1-2H3
CH$LINK: CAS 52414-91-2
CH$LINK: INCHIKEY QCIOXFPPEGZRFY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90866258

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-7900000000-69e8ee4d2a2aeeede535
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  27 1.06 11
  29 3.26 33
  39 3.98 40
  41 19.98 200
  42 3.01 30
  45 33.02 330
  46 1.02 10
  47 2 20
  53 3.13 31
  54 3.12 31
  55 3.98 40
  56 1.01 10
  58 3.02 30
  59 31.1 311
  60 1.94 19
  61 1.02 10
  64 3.04 30
  65 10.57 106
  66 5.21 52
  67 14.01 140
  68 3.99 40
  71 7.32 73
  72 18.03 180
  73 2 20
  74 1.1 11
  84 2.01 20
  85 78.21 782
  86 7.96 80
  87 7.03 70
  98 5.1 51
  99 45.97 460
  100 8.02 80
  101 2.02 20
  112 81.21 812
  113 13.32 133
  114 11.06 111
  124 1.02 10
  125 10.13 101
  126 86.88 869
  127 99.99 999
  128 35.13 351
  129 20.23 202
  130 1.02 10
//