ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003486
RECORD_TITLE: 2-(3-HYDROXYBUTOXY)-N-(2-(DIMETHYLAMINO)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$NAME: 2-(3-HYDROXYBUTOXY)-N-(2-(DIMETHYLAMINO)ETHYL)-4-QUINOLINECARBOXAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H25N3O3
CH$EXACT_MASS: 331.18959
CH$SMILES: CN(C)CCNC(=O)c(c1)c(c2)c(ccc2)nc(OCCC(C)O)1
CH$IUPAC: InChI=1S/C18H25N3O3/c1-13(22)8-11-24-17-12-15(18(23)19-9-10-21(2)3)14-6-4-5-7-16(14)20-17/h4-7,12-13,22H,8-11H2,1-3H3,(H,19,23)
CH$LINK: INCHIKEY BWJOZZXBMMBITB-UHFFFAOYSA-N
AC$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: splash10-0a4i-9000000000-cf666fcedb2ca54ab22c
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  54 0.11 1
  55 0.19 2
  56 0.45 5
  58 99.99 999
  85 0.42 4
  144 0.12 1
  145 0.24 2
  172 0.13 1
  215 0.26 3
  301 0.1 1
  316 0.14 1
  328 0.11 1
//
