ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003439
RECORD_TITLE: 2-(3-HYDROXYBUTOXY)-N-(2-ETHYLAMINOETHYL)-4-QUINOLINECARBOXAMIDE; EI-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$NAME: 2-(3-HYDROXYBUTOXY)-N-(2-ETHYLAMINOETHYL)-4-QUINOLINECARBOXAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H25N3O3
CH$EXACT_MASS: 331.18959
CH$SMILES: CCNCCNC(=O)c(c1)c(c2)c(ccc2)nc(OCCC(C)O)1
CH$IUPAC: InChI=1S/C18H25N3O3/c1-3-19-9-10-20-18(23)15-12-17(24-11-8-13(2)22)21-16-7-5-4-6-14(15)16/h4-7,12-13,19,22H,3,8-11H2,1-2H3,(H,20,23)
CH$LINK: INCHIKEY MBWJSJFBWIRQEQ-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0aos-7290000000-fa897d095bbe0e7175c9
PK$NUM_PEAK: 133
PK$PEAK: m/z int. rel.int.
  39 0.31 3
  41 0.11 1
  42 1.08 11
  43 0.9 9
  44 1.35 14
  54 0.32 3
  55 2.68 27
  56 6.66 67
  57 1.1 11
  58 99.99 999
  59 4.53 45
  60 0.25 3
  69 2.06 21
  70 0.67 7
  71 35.08 351
  72 7.82 78
  73 0.76 8
  75 0.14 1
  83 0.13 1
  84 0.61 6
  85 0.41 4
  87 5.97 60
  88 0.33 3
  89 0.47 5
  95 0.1 1
  96 0.11 1
  97 0.88 9
  98 0.42 4
  99 0.36 4
  100 0.13 1
  105 0.11 1
  111 0.23 2
  112 0.89 9
  113 1.3 13
  114 0.23 2
  115 0.39 4
  116 1.14 11
  117 0.73 7
  118 0.11 1
  121 0.12 1
  125 0.18 2
  127 0.23 2
  128 0.58 6
  129 0.16 2
  131 0.12 1
  132 0.19 2
  133 0.13 1
  141 0.2 2
  142 0.47 5
  143 0.59 6
  144 4.8 48
  145 20.83 208
  146 3.08 31
  147 0.33 3
  153 0.4 4
  156 0.33 3
  157 0.27 3
  158 0.25 3
  159 0.74 7
  160 0.33 3
  161 0.19 2
  162 0.28 3
  163 0.1 1
  165 0.14 1
  166 0.13 1
  170 0.23 2
  171 0.71 7
  172 3.79 38
  173 2.16 22
  174 0.78 8
  175 0.14 1
  183 0.18 2
  185 0.77 8
  186 0.64 6
  187 0.32 3
  188 1.06 11
  189 7.44 74
  190 1.12 11
  191 0.34 3
  193 2.99 30
  194 1.06 11
  202 1.06 11
  203 0.24 2
  212 0.14 1
  213 0.19 2
  214 0.32 3
  215 4.68 47
  216 1.75 18
  217 63.19 632
  218 14.82 148
  219 1.88 19
  220 0.2 2
  221 0.26 3
  229 0.22 2
  230 0.24 2
  231 0.72 7
  232 0.19 2
  235 0.15 2
  243 1.09 11
  244 3.21 32
  245 59.12 591
  246 9.46 95
  247 1.36 14
  253 0.13 1
  255 1.34 13
  257 0.11 1
  258 1.52 15
  259 0.61 6
  260 0.89 9
  261 8.74 87
  262 1.56 16
  263 0.22 2
  270 0.25 3
  272 0.29 3
  273 0.44 4
  274 13.43 134
  275 2.46 25
  276 0.27 3
  285 0.21 2
  286 0.32 3
  287 0.46 5
  288 0.15 2
  289 0.23 2
  298 0.14 1
  299 0.15 2
  300 0.43 4
  301 0.18 2
  315 0.11 1
  316 0.51 5
  317 0.32 3
  329 0.51 5
  330 0.42 4
  331 0.66 7
//
