ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002012
RECORD_TITLE: 5-ETHYL-4-PROPYLTHIAZOLE; 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$NAME: 5-ETHYL-4-PROPYLTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₃NS
CH$EXACT_MASS: 155.07687
CH$SMILES: CCCc(n1)c(CC)sc1
CH$IUPAC: InChI=1S/C8H13NS/c1-3-5-7-8(4-2)10-6-9-7/h6H,3-5H2,1-2H3
CH$LINK: INCHIKEY RHMGQEGNNVLLDV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:581482

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$SPLASH: splash10-004i-9700000000-cd792d7f669489d3f345
PK$NUM_PEAK: 93
PK$PEAK: m/z int. rel.int.
  26 4.3 43
  27 29.8 298
  29 10.9 109
  37 0.14 1
  38 3.3 33
  39 30.6 306
  40 5.2 52
  41 3.95 40
  42 7.3 73
  43 47.1 471
  45 32.2 322
  46 0.18 2
  47 3.9 39
  49 1.9 19
  50 2.7 27
  51 0.67 7
  52 4 40
  53 9.7 97
  54 2.8 28
  55 1.3 13
  56 2.7 27
  58 8 80
  59 15.6 156
  60 0.18 2
  61 2 20
  62 1.6 16
  63 2.8 28
  64 0.14 1
  65 15.4 154
  66 3.1 31
  67 4.6 46
  68 0.29 3
  69 12.5 125
  70 6.1 61
  71 50 500
  72 0.43 4
  73 5.5 55
  74 1.3 13
  75 1.4 14
  76 0.21 2
  77 9.2 92
  78 2.6 26
  79 5.5 55
  80 0.19 2
  81 1.9 19
  82 2.6 26
  83 2.5 25
  84 0.53 5
  85 9 90
  86 1.8 18
  87 1.1 11
  91 0.23 2
  92 1.5 15
  93 1.7 17
  94 1.8 18
  95 0.13 1
  96 1.3 13
  97 7.6 76
  98 22.5 225
  99 2.09 21
  100 2.8 28
  101 1 10
  103 1.1 11
  104 0.12 1
  105 1.8 18
  107 1.1 11
  109 1 10
  110 0.13 1
  111 3.8 38
  112 20.9 209
  113 4.4 44
  114 0.28 3
  115 1 10
  122 1.1 11
  124 3.6 36
  125 0.52 5
  126 80 800
  127 99.99 999
  128 10.5 105
  129 0.49 5
  138 2.8 28
  139 1.3 13
  140 28.2 282
  141 0.37 4
  142 1.9 19
  148 1.1 11
  152 1.4 14
  153 0.13 1
  154 12.5 125
  155 29.8 298
  156 4.6 46
  157 0.22 2
  158 1 10
//