ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003752
RECORD_TITLE: 2-BUTOXY-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$NAME: 2-BUTOXY-N-(2-(ETHYLAMINO)ETHYL)-4-QUINOLINECARBOXAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₅N₃O₂
CH$EXACT_MASS: 315.19468
CH$SMILES: CCNCCNC(=O)c(c1)c(c2)c(ccc2)nc(OCCCC)1
CH$IUPAC: InChI=1S/C18H25N3O2/c1-3-5-12-23-17-13-15(18(22)20-11-10-19-4-2)14-8-6-7-9-16(14)21-17/h6-9,13,19H,3-5,10-12H2,1-2H3,(H,20,22)
CH$LINK: INCHIKEY PSROMGJLHUTGHE-UHFFFAOYSA-N

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$SPLASH: splash10-014i-1179000000-4e81dca79bb4d92ee02e
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  83 5.75 58
  84 9.43 94
  86 0.38 4
  88 2.8 28
  90 0.89 9
  91 0.16 2
  95 0.34 3
  98 0.59 6
  106 0.43 4
  113 0.35 4
  115 0.63 6
  116 1.88 19
  117 0.69 7
  123 0.42 4
  127 0.65 7
  128 1.22 12
  129 0.35 4
  131 0.13 1
  133 1.66 17
  143 0.33 3
  144 1.44 14
  145 4.43 44
  146 2.09 21
  147 0.34 3
  160 0.14 1
  170 0.58 6
  171 1.13 11
  172 1.02 10
  173 0.62 6
  174 0.31 3
  176 0.12 1
  186 0.36 4
  188 0.35 4
  189 0.73 7
  199 0.43 4
  200 0.58 6
  201 12 120
  202 2.95 30
  203 0.65 7
  213 0.5 5
  214 0.77 8
  215 3.22 32
  216 0.44 4
  227 1.77 18
  228 2.13 21
  229 17.36 174
  230 3.07 31
  233 8.98 90
  240 0.44 4
  241 0.83 8
  242 1.26 13
  243 1.01 10
  244 0.36 4
  245 6.42 64
  246 0.92 9
  255 0.84 8
  256 0.32 3
  257 1.65 17
  258 2.46 25
  259 1.28 13
  260 4.19 42
  262 0.51 5
  269 0.74 7
  270 0.3 3
  272 26.27 263
  283 0.42 4
  284 0.82 8
  285 0.11 1
  297 1.41 14
  298 1.21 12
  299 4.64 46
  300 4.22 42
  301 1.59 16
  312 3.18 32
  316 99.99 999
  317 19.68 197
  318 2.53 25
//