ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003763
RECORD_TITLE: 2-(3-HYDROXYBUTOXY)-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$NAME: 2-(3-HYDROXYBUTOXY)-N-(2-(DIETHYLAMINO)ETHYL)-4-QUINOLINECARBOXAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₉N₃O₃
CH$EXACT_MASS: 359.22089
CH$SMILES: CCN(CC)CCNC(=O)c(c1)c(c2)c(ccc2)nc(OCCC(C)O)1
CH$IUPAC: InChI=1S/C20H29N3O3/c1-4-23(5-2)12-11-21-20(25)17-14-19(26-13-10-15(3)24)22-18-9-7-6-8-16(17)18/h6-9,14-15,24H,4-5,10-13H2,1-3H3,(H,21,25)
CH$LINK: INCHIKEY SVJDEAGGTCVUHT-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$SPLASH: splash10-000i-9011000000-1f4f9243dabd8098af2a
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  69 0.21 2
  71 1.68 17
  72 1.04 10
  73 2.1 21
  74 0.71 7
  83 0.1 1
  84 0.43 4
  85 0.56 6
  86 99.99 999
  87 5.54 55
  99 2.59 26
  100 2.6 26
  113 0.36 4
  115 0.43 4
  145 0.3 3
  146 0.36 4
  171 0.2 2
  172 0.19 2
  189 0.5 5
  201 0.18 2
  215 0.94 9
  243 0.13 1
  261 0.38 4
  286 0.94 9
  287 1.3 13
  288 8.06 81
  289 1.41 14
  290 0.46 5
  329 0.52 5
  330 1.71 17
  344 2.39 24
  361 9.7 97
  362 1.45 15
//