ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011630
RECORD_TITLE: 4-(4-CHLOROPHENYL)-1,2,3,6-TETRAHYDRO PYRIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-(4-CHLOROPHENYL)-1,2,3,6-TETRAHYDRO PYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂ClN
CH$EXACT_MASS: 193.06583
CH$SMILES: Clc(c2)ccc(c2)C(C1)=CCNC1
CH$IUPAC: InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
CH$LINK: INCHIKEY SXOMHACGFSJBIO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40952418

AC$INSTRUMENT: HITACHI M-2500
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-002f-3900000000-aa808bbfe500ca19895f
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  17 1.66 17
  18 11.33 113
  26 1.54 15
  27 5.02 50
  28 11.86 119
  29 2.19 22
  30 4.48 45
  36 4.82 48
  38 1.54 15
  39 3.32 33
  41 4.14 41
  42 3.63 36
  43 1.72 17
  44 6.81 68
  45 1.69 17
  50 3.82 38
  51 8.01 80
  52 2.07 21
  53 4.65 47
  54 3.17 32
  55 2.98 30
  56 7.02 70
  57 1.11 11
  62 1.61 16
  63 4.69 47
  64 2.06 21
  65 1.91 19
  67 1.39 14
  68 8.56 86
  72 2.56 26
  73 1.28 13
  74 3.18 32
  75 7.54 75
  76 2.43 24
  77 8.82 88
  78 7.27 73
  79 3.03 30
  80 13.72 137
  81 5.42 54
  82 34.68 347
  83 2.51 25
  87 1.4 14
  89 2.94 29
  91 1.8 18
  98 1.46 15
  99 2.21 22
  100 1.1 11
  101 7.99 80
  102 6.5 65
  103 2.9 29
  111 1.02 10
  112 1.09 11
  113 1.46 15
  114 2.42 24
  115 9.69 97
  116 2.65 27
  117 1.18 12
  125 15.25 153
  126 3.61 36
  127 17.79 178
  128 26.72 267
  129 67 670
  130 15.95 160
  131 1.94 19
  136 4.05 41
  137 1.9 19
  138 4.04 40
  139 1.38 14
  140 1.43 14
  141 2.35 24
  143 2.44 24
  149 9.24 92
  150 1.85 19
  151 4.32 43
  152 1.31 13
  153 1.13 11
  154 2.46 25
  155 1.51 15
  156 6.16 62
  157 6.5 65
  158 34.58 346
  159 4.46 45
  162 1.37 14
  163 1.94 19
  164 25.55 256
  165 5.44 54
  166 9.13 91
  167 1.62 16
  175 1.6 16
  177 2.51 25
  178 3.94 39
  179 1.11 11
  180 1.27 13
  189 1.38 14
  190 6.42 64
  191 2.68 27
  192 62.16 622
  193 99.99 999
  194 30.19 302
  195 31.88 319
  196 3.82 38
//