ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003434
RECORD_TITLE: 2-BUTOXY-N-(2-(DIETHYLAMINO)ETHYL)-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$NAME: 2-BUTOXY-N-(2-(DIETHYLAMINO)ETHYL)-4-QUINOLINECARBOXAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₉N₃O₂
CH$EXACT_MASS: 343.22598
CH$SMILES: CCCCOc(n1)cc(C(=O)NCCN(CC)CC)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)
CH$LINK: INCHIKEY PUFQVTATUTYEAL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3045271

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$SPLASH: splash10-000i-9000000000-11b0b035aed1c901a827
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  36 0.35 4
  39 0.51 5
  41 1.73 17
  42 0.68 7
  43 0.95 10
  54 0.27 3
  55 0.31 3
  56 1.65 17
  57 1.36 14
  58 3.65 37
  64 0.13 1
  66 0.14 1
  68 0.11 1
  69 0.11 1
  70 0.79 8
  71 1.57 16
  72 0.77 8
  73 0.21 2
  78 0.17 2
  82 0.25 3
  83 0.14 1
  84 4.93 49
  85 0.61 6
  86 99.99 999
  87 8.87 89
  88 0.13 1
  91 0.16 2
  95 0.28 3
  96 0.18 2
  97 0.52 5
  98 0.13 1
  99 2.87 29
  100 0.24 2
  111 0.2 2
  113 1.88 19
  116 0.29 3
  129 0.16 2
  132 0.11 1
  141 0.17 2
  142 0.18 2
  143 0.14 1
  144 0.62 6
  145 0.49 5
  146 0.15 2
  157 0.1 1
  158 0.1 1
  159 0.17 2
  170 0.55 6
  171 0.28 3
  172 0.5 5
  173 0.25 3
  185 0.14 1
  186 0.21 2
  191 0.11 1
  197 0.16 2
  198 0.11 1
  199 0.35 4
  200 0.14 1
  201 0.22 2
  213 0.21 2
  214 0.49 5
  215 0.64 6
  227 0.22 2
  228 2.29 23
  229 0.47 5
  270 0.15 2
  271 0.97 10
  272 0.18 2
  326 1.59 16
  327 0.37 4
  340 0.23 2
  341 0.55 6
  342 0.29 3
//