ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004231
RECORD_TITLE: 2-QUINOLINECARBOXYLIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 2-QUINOLINECARBOXYLIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H9NO2
CH$EXACT_MASS: 187.06333
CH$SMILES: COC(=O)c(c1)nc(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C11H9NO2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3
CH$LINK: CAS 19575-07-6
CH$LINK: INCHIKEY CILJSZLWPHTUIP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20329609
AC$INSTRUMENT: JEOL JMS-01-SG
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-1900000000-3bd61eaee728d31e6ac7
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  50 4.3 43
  51 7.9 79
  52 1.2 12
  63 0.17 2
  64 4.6 46
  75 8.7 87
  76 3.5 35
  77 0.77 8
  78 1.5 15
  100 2 20
  101 15.1 151
  102 0.79 8
  103 1 10
  127 2.8 28
  128 37.2 372
  129 99.99 999
  130 10.2 102
  156 2 20
  157 20 200
  158 0.2 2
  187 8.7 87
  188 1 10
//
