ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003758
RECORD_TITLE: 2-BUTOXY-4-QUINOLINECARBOXYLIC ACID BUTYLESTER; 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$NAME: 2-BUTOXY-4-QUINOLINECARBOXYLIC ACID BUTYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₃NO₃
CH$EXACT_MASS: 301.16779
CH$SMILES: CCCCOC(=O)c(c1)c(c2)c(ccc2)nc(OCCCC)1
CH$IUPAC: InChI=1S/C18H23NO3/c1-3-5-11-21-17-13-15(18(20)22-12-6-4-2)14-9-7-8-10-16(14)19-17/h7-10,13H,3-6,11-12H2,1-2H3
CH$LINK: INCHIKEY ZPIBVASLHDCEHZ-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$SPLASH: splash10-0f6t-0193000000-f94a9984f6018e8a508c
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  67 0.31 3
  70 0.12 1
  71 0.42 4
  72 0.36 4
  73 0.28 3
  85 0.45 5
  116 2.56 26
  117 3.25 33
  118 0.27 3
  128 1.02 10
  129 0.43 4
  143 0.29 3
  144 2.85 29
  145 3.15 32
  146 2.3 23
  147 1.09 11
  161 1.16 12
  172 4.2 42
  173 4.16 42
  174 1.57 16
  186 0.64 6
  189 19.93 199
  190 6.02 60
  191 0.89 9
  197 1.69 17
  203 1.04 10
  214 0.12 1
  216 1.94 19
  217 0.16 2
  218 0.1 1
  228 7.68 77
  229 3.02 30
  230 4.9 49
  231 0.93 9
  232 0.89 9
  240 0.93 9
  241 0.78 8
  244 36.89 369
  245 68.83 688
  246 99.99 999
  247 16.01 160
  248 2.07 21
  256 2.01 20
  257 0.63 6
  258 9.29 93
  259 1.96 20
  268 0.73 7
  270 0.7 7
  271 5.66 57
  272 3.51 35
  273 0.44 4
  274 0.19 2
  286 8.95 90
  287 1.58 16
  288 3.1 31
  289 0.37 4
  300 3.75 38
  302 91.82 918
  303 15.87 159
  304 2.17 22
//