ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003794
RECORD_TITLE: 2-(3-HYDROXYBUTOXY)-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$NAME: 2-(3-HYDROXYBUTOXY)-N-(2-(DIMETHYLAMINO)ETHYL)-4-QUINOLINECARBOXAMIDE
CH$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: 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$SPLASH: splash10-001i-3029000000-f90668efc84da5dedf21
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  65 1.15 12
  67 0.31 3
  69 4.37 44
  70 0.79 8
  71 9.86 99
  72 7.48 75
  73 6.36 64
  79 1.56 16
  83 2.75 28
  85 0.62 6
  89 1.96 20
  90 4.8 48
  94 1.35 14
  107 0.62 6
  145 1.76 18
  214 0.39 4
  259 20.32 203
  260 3.44 34
  261 3.99 40
  313 1.7 17
  330 2.15 22
  332 99.99 999
  333 18.79 188
  334 3.16 32
//