ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003759
RECORD_TITLE: 2-(2-BUTENOXY)-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$NAME: 2-(2-BUTENOXY)-N-(2-DIETHYLAMINOETHYL)-4-QUINOLINECARBOXAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₇N₃O₂
CH$EXACT_MASS: 341.21033
CH$SMILES: CC=CCOc(n1)cc(C(=O)NCCN(CC)CC)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C20H27N3O2/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/h4,7-11,15H,5-6,12-14H2,1-3H3,(H,21,24)/b7-4+
CH$LINK: INCHIKEY DVLAYBXTANLAEG-QPJJXVBHSA-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$SPLASH: splash10-000i-9015000000-870fa405d28b44e475d1
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  69 0.3 3
  70 0.64 6
  71 1.37 14
  72 0.94 9
  83 0.22 2
  86 99.99 999
  87 5.52 55
  99 2.6 26
  100 2.87 29
  146 0.63 6
  215 0.83 8
  257 0.13 1
  269 1.24 12
  288 11.99 120
  289 1.72 17
  290 0.67 7
  329 0.48 5
  330 1 10
  340 2.75 28
  342 47.06 471
  343 9.56 96
  345 1.3 13
//