ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003793
RECORD_TITLE: 2-BUTOXY-N-(2-(DIMETHYLAMINO)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$NAME: 2-BUTOXY-N-(2-(DIMETHYLAMINO)ETHYL)-4-QUINOLINECARBOXAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₅N₃O₂
CH$EXACT_MASS: 315.19468
CH$SMILES: CCCCOc(n1)cc(C(=O)NCCN(C)C)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C18H25N3O2/c1-4-5-12-23-17-13-15(18(22)19-10-11-21(2)3)14-8-6-7-9-16(14)20-17/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,22)
CH$LINK: INCHIKEY KYNYSWROWCUJRS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30321553

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$SPLASH: splash10-014i-0009000000-739ba2d5ad110f9ba913
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  67 1.55 16
  71 7 70
  72 1.73 17
  314 1.76 18
  316 99.99 999
  317 19.53 195
  318 1.96 20
//