ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003967
RECORD_TITLE: 2-CHLORO-N-(2-(ETHYLAMINO)ETHYL)-4-QUINOLINECARBOXAMIDE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2-CHLORO-N-(2-(ETHYLAMINO)ETHYL)-4-QUINOLINECARBOXAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₀ClN₃O
CH$EXACT_MASS: 305.12949
CH$SMILES: CCN(CC)CCNC(=O)c(c1)c(c2)c(ccc2)nc(Cl)1
CH$IUPAC: InChI=1S/C16H20ClN3O/c1-3-20(4-2)10-9-18-16(21)13-11-15(17)19-14-8-6-5-7-12(13)14/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21)
CH$LINK: COMPTOX DTXSID40532234
CH$LINK: INCHIKEY WZBLJANCSMJDSS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:13255244

AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0a4i-5119000000-7ade641bd5ca0721d2c4
PK$NUM_PEAK: 126
PK$PEAK: m/z int. rel.int.
  62 0.26 3
  63 0.51 5
  64 0.51 5
  65 0.27 3
  66 0.95 10
  67 0.94 9
  68 0.17 2
  69 2.4 24
  70 0.23 2
  71 0.87 9
  72 2.1 21
  73 2.45 25
  74 2.46 25
  75 0.92 9
  76 0.22 2
  77 0.26 3
  79 1.13 11
  80 0.3 3
  81 0.62 6
  82 0.45 5
  83 0.3 3
  84 1.25 13
  85 2.09 21
  86 82.03 820
  87 5.17 52
  88 0.69 7
  91 0.51 5
  93 0.33 3
  95 0.17 2
  96 0.11 1
  97 0.13 1
  98 0.38 4
  99 1.5 15
  100 4.94 49
  101 1.1 11
  102 0.12 1
  107 0.12 1
  109 0.17 2
  111 0.18 2
  113 0.31 3
  114 0.37 4
  115 0.5 5
  116 0.17 2
  117 1.11 11
  121 0.1 1
  123 0.12 1
  124 0.21 2
  125 0.31 3
  126 0.25 3
  127 0.72 7
  128 0.87 9
  129 0.28 3
  130 0.6 6
  131 0.2 2
  134 0.19 2
  138 0.19 2
  140 0.1 1
  141 0.14 1
  142 0.15 2
  143 0.16 2
  144 0.83 8
  146 1.02 10
  156 0.15 2
  157 0.19 2
  158 0.12 1
  163 1.84 18
  164 0.6 6
  165 1.94 19
  166 0.29 3
  167 0.45 5
  171 0.25 3
  174 0.17 2
  176 0.28 3
  178 4.42 44
  180 0.6 6
  181 0.38 4
  182 0.14 1
  186 0.1 1
  188 0.25 3
  190 0.16 2
  191 0.9 9
  192 0.35 4
  193 0.57 6
  194 0.14 1
  195 0.13 1
  200 0.39 4
  205 0.26 3
  207 0.14 1
  208 0.77 8
  209 0.1 1
  210 0.18 2
  220 0.57 6
  221 0.29 3
  222 1.21 12
  223 0.35 4
  224 0.58 6
  229 0.13 1
  230 0.11 1
  231 0.23 2
  232 0.4 4
  233 2.27 23
  234 0.29 3
  235 0.79 8
  260 0.27 3
  262 0.26 3
  269 0.14 1
  270 0.29 3
  271 1.69 17
  272 0.81 8
  273 7.65 77
  274 1.79 18
  275 1.09 11
  276 0.49 5
  277 0.2 2
  279 0.22 2
  287 0.23 2
  289 0.4 4
  291 0.25 3
  293 0.1 1
  304 7.48 75
  306 99.99 999
  307 26.98 270
  308 51.24 512
  309 9.2 92
  310 2.2 22
  311 0.27 3
//