ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005642
RECORD_TITLE: 2-ETHOXY-1-ETHOXYCARBONYL-1,2-DIHYDROQUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 2-ETHOXY-1-ETHOXYCARBONYL-1,2-DIHYDROQUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H17NO3
CH$EXACT_MASS: 247.12084
CH$SMILES: CCOC(=O)N(C(OCC)1)c(c2)c(ccc2)C=C1
CH$IUPAC: InChI=1S/C14H17NO3/c1-3-17-13-10-9-11-7-5-6-8-12(11)15(13)14(16)18-4-2/h5-10,13H,3-4H2,1-2H3
CH$LINK: INCHIKEY GKQLYSROISKDLL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50871969
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0f89-0950000000-5c12a3952382638dd2d0
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  29 9.3 93
  102 1.33 13
  103 1.91 19
  117 1.77 18
  118 2.22 22
  128 5.48 55
  129 16.54 165
  130 99.99 999
  131 10.15 102
  143 3.45 35
  146 3.38 34
  158 34.47 345
  159 4.41 44
  174 2.06 21
  202 86.33 863
  203 11.57 116
  204 1.1 11
  247 8.46 85
  248 1.26 13
//
