ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002023
RECORD_TITLE: 4-METHYL-2-PHENYLTHIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHYL-2-PHENYLTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₉NS
CH$EXACT_MASS: 175.04557
CH$SMILES: Cc(c2)nc(s2)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H9NS/c1-8-7-12-10(11-8)9-5-3-2-4-6-9/h2-7H,1H3
CH$LINK: INCHIKEY IPOHWQDCODUHTD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70338903

AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-9100000000-bb7e4e546a58e53777f2
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  26 1.1 11
  27 3.7 37
  29 4.2 42
  34 0.11 1
  38 1.3 13
  39 10.5 105
  40 9.5 95
  41 0.17 2
  42 1.4 14
  43 6.8 68
  45 15.5 155
  46 0.17 2
  50 4.3 43
  51 7.8 78
  52 1.8 18
  62 0.13 1
  63 2.6 26
  69 3.8 38
  70 1.5 15
  71 5.37 54
  72 99.99 999
  73 7.2 72
  74 6.1 61
  75 0.24 2
  76 6.3 63
  77 11.6 116
  78 2 20
  87.5 0.37 4
  88 1.2 12
  91 1.1 11
  99 1 10
  100 0.18 2
  101 2.3 23
  102 1 10
  103 5.8 58
  104 1.73 17
  105 2.6 26
  121 1.8 18
  174 1 10
  175 8.8 88
  176 10.8 108
  177 4.8 48
//