ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005136
RECORD_TITLE: 2-(2,6-DICHLOROANILINO)PHENYLACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-(2,6-DICHLOROANILINO)PHENYLACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₁Cl₂NO₂
CH$EXACT_MASS: 295.01668
CH$SMILES: OC(=O)Cc(c2)c(ccc2)Nc(c(Cl)1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022923

AC$INSTRUMENT: JEOL JMS-HX-100
AC$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$SPLASH: splash10-03xv-3390000000-cd724f772f8ff3648856
PK$NUM_PEAK: 122
PK$PEAK: m/z int. rel.int.
  35 1.59 16
  38 1.47 15
  39 8.35 84
  40 0.94 9
  41 2.18 22
  42 0.53 5
  43 1.69 17
  44 1.31 13
  45 3.65 37
  50 3.79 38
  51 10.02 100
  52 4.93 49
  53 2.17 22
  55 1.26 13
  56 0.61 6
  57 1.53 15
  61 0.84 8
  62 2.64 26
  63 8.42 84
  64 2.6 26
  65 2.76 28
  66 0.57 6
  67 0.53 5
  69 1.33 13
  71 0.82 8
  73 1.73 17
  74 3.17 32
  75 6.5 65
  76 8.07 81
  77 11.34 113
  78 6.77 68
  79 1.84 18
  81 0.76 8
  83 0.58 6
  84 0.71 7
  85 0.85 9
  86 0.68 7
  87 1.14 11
  88 1.78 18
  89 10.25 103
  90 5.17 52
  91 1.43 14
  93 1.57 16
  94 0.95 10
  97 0.6 6
  98 0.67 7
  99 1.21 12
  100 1.07 11
  101 1.22 12
  102 1.07 11
  103 0.55 6
  104 1.1 11
  105 0.61 6
  106 3.11 31
  107 7.72 77
  108 2.82 28
  109 2.88 29
  110 0.85 9
  111 1.8 18
  113 0.83 8
  114 0.64 6
  115 0.6 6
  124 2.68 27
  125 1.73 17
  126 1.65 17
  127 1.56 16
  128 1.13 11
  133 0.67 7
  135 0.6 6
  136 0.81 8
  138 0.85 9
  139 1.01 10
  140 0.95 10
  145 1.21 12
  147 0.86 9
  149 1.11 11
  150 2.62 26
  151 10.15 102
  152 6.46 65
  153 1.81 18
  154 0.62 6
  161 0.5 5
  164 1.41 14
  165 0.82 8
  166 1.3 13
  167 0.68 7
  174 0.54 5
  176 1.39 14
  177 8.21 82
  178 12.12 121
  179 16.39 164
  180 8.36 84
  181 2.01 20
  186 0.51 5
  201 1.17 12
  212 0.76 8
  213 4.88 49
  214 99.99 999
  215 27.73 277
  216 40.27 403
  217 9.28 93
  218 1.5 15
  241 0.61 6
  242 39.02 390
  243 6.77 68
  244 13.3 133
  245 2.14 21
  248 1.09 11
  250 1.92 19
  251 0.53 5
  252 0.94 9
  277 4.8 48
  278 0.97 10
  279 3.23 32
  280 0.57 6
  281 0.56 6
  295 38.54 385
  296 6.52 65
  297 25.2 252
  298 4.14 41
  299 4.64 46
  300 0.75 8
//