ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003795
RECORD_TITLE: 2-(2-HYDROXYETHOXY)-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$NAME: 2-(2-HYDROXYETHOXY)-N-(2-(DIMETHYLAMINO)ETHYL)-4-QUINOLINECARBOXAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₁N₃O₃
CH$EXACT_MASS: 303.15829
CH$SMILES: OCCOc(n1)cc(C(=O)NCCN(C)C)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C16H21N3O3/c1-19(2)8-7-17-16(21)13-11-15(22-10-9-20)18-14-6-4-3-5-12(13)14/h3-6,11,20H,7-10H2,1-2H3,(H,17,21)
CH$LINK: INCHIKEY UYTCDZVOYWTYNZ-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$SPLASH: splash10-0uk9-6019000000-5940fa34498012a82e79
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  63 5.57 56
  65 1.07 11
  66 1.05 11
  67 2.35 24
  68 0.91 9
  69 2.87 29
  70 0.31 3
  71 7.85 79
  72 57.45 575
  85 2.12 21
  89 1.5 15
  90 3.06 31
  92 1.07 11
  94 0.3 3
  97 0.75 8
  107 0.41 4
  146 1.31 13
  188 0.56 6
  214 0.69 7
  257 0.69 7
  258 1.19 12
  259 15.31 153
  260 2.03 20
  261 2.15 22
  285 1.48 15
  287 0.71 7
  302 3.06 31
  304 99.99 999
  305 17.69 177
  306 2.85 29
//