ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003485
RECORD_TITLE: 2-BUTOXY-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$NAME: 2-BUTOXY-N-(2-(DIMETHYLAMINO)ETHYL)-4-QUINOLINECARBOXAMIDE
CH$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: 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$SPLASH: splash10-0a4i-9000000000-47c38f8208ec6ef6cd84
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  30 4.41 44
  39 0.96 10
  41 3.79 38
  42 4.33 43
  43 1.26 13
  44 2.18 22
  50 0.23 2
  52 0.13 1
  55 0.9 9
  56 2.36 24
  57 4.52 45
  58 99.99 999
  59 8.87 89
  62 0.16 2
  63 0.41 4
  64 0.23 2
  65 0.12 1
  70 0.75 8
  71 17.98 180
  72 1.63 16
  75 0.41 4
  76 0.21 2
  77 0.24 2
  83 0.12 1
  85 0.89 9
  86 0.3 3
  87 0.26 3
  88 0.37 4
  89 1.59 16
  90 0.31 3
  100 0.2 2
  101 0.63 6
  102 0.17 2
  114 0.27 3
  115 1.02 10
  116 3.92 39
  117 0.59 6
  127 1.18 12
  128 0.88 9
  129 0.4 4
  130 0.21 2
  132 0.12 1
  142 0.18 2
  143 0.54 5
  144 1.27 13
  145 0.61 6
  146 0.1 1
  156 0.1 1
  157 0.14 1
  158 0.15 2
  159 0.1 1
  170 0.17 2
  171 0.28 3
  172 0.79 8
  173 0.13 1
  185 0.11 1
  186 0.16 2
  199 0.24 2
  200 0.22 2
  201 0.13 1
  213 0.12 1
  215 0.26 3
  228 0.68 7
  229 0.19 2
  271 0.37 4
  272 0.12 1
  313 0.15 2
  314 0.14 1
//
