ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003750
RECORD_TITLE: 2-BUTOXY-N-(2-DIETHYLAMINOETHYL)-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$NAME: 2-BUTOXY-N-(2-DIETHYLAMINOETHYL)-4-QUINOLINECARBOXAMIDE
CH$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: 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$SPLASH: splash10-0006-5009000000-4623c33d494376e699f3
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  72 2 20
  73 10.23 102
  74 0.8 8
  76 1.04 10
  78 1.52 15
  79 0.93 9
  81 6.81 68
  82 3.71 37
  83 2.24 22
  85 3.33 33
  86 32.17 322
  87 0.94 9
  91 0.11 1
  93 7.33 73
  95 2.27 23
  97 0.36 4
  99 3.27 33
  101 6.99 70
  108 1.92 19
  113 2.34 23
  132 2.09 21
  133 0.8 8
  135 0.18 2
  227 2.42 24
  245 1.14 11
  259 0.92 9
  271 2.27 23
  342 6.55 66
  344 99.99 999
  345 20.61 206
  346 4.37 44
//