ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003755
RECORD_TITLE: 2-(2-HYDROXYETHOXY)-N-(2-(DIETHYLAMINO)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$NAME: 2-(2-HYDROXYETHOXY)-N-(2-(DIETHYLAMINO)ETHYL)-4-QUINOLINECARBOXAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₅N₃O₃
CH$EXACT_MASS: 331.18959
CH$SMILES: OCCOc(n1)cc(C(=O)NCCN(CC)CC)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C18H25N3O3/c1-3-21(4-2)10-9-19-18(23)15-13-17(24-12-11-22)20-16-8-6-5-7-14(15)16/h5-8,13,22H,3-4,9-12H2,1-2H3,(H,19,23)
CH$LINK: INCHIKEY NUSFSWUAKIFAFP-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$SPLASH: splash10-000i-9002000000-033030786cf81c847d61
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  69 2.09 21
  70 2.04 20
  71 2.85 29
  72 2.12 21
  74 5.12 51
  84 2.48 25
  85 5.09 51
  86 99.99 999
  87 4.48 45
  99 3.56 36
  100 3.32 33
  289 3.25 33
  330 3.53 35
  332 28.89 289
  333 5.17 52
//