ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001634
RECORD_TITLE: QUINOLINE; 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$NAME: QUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₇N
CH$EXACT_MASS: 129.05785
CH$SMILES: c(c2)cc(c1)c(c2)ncc1
CH$IUPAC: InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
CH$LINK: CAS 91-22-5
CH$LINK: INCHIKEY SMWDFEZZVXVKRB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021798

AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-0fb9-9700000000-162da149cecb7471177e
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  32 11.65 117
  37 3.65 37
  38 6.79 68
  39 13.22 132
  40 1.69 17
  43 1.61 16
  44 6.47 65
  49 3.6 36
  50 25.88 259
  51 48.15 482
  52 10.16 102
  53 1.48 15
  61 2.42 24
  62 4.73 47
  63 10.14 101
  64 9.59 96
  65 3.22 32
  73 1.5 15
  74 10.31 103
  75 17.83 178
  76 22.99 230
  77 8.72 87
  78 6.85 69
  79 1.88 19
  87 1.12 11
  98 1.1 11
  99 1.01 10
  100 1.61 16
  101 10.61 106
  102 42.37 424
  103 10.87 109
  106 1.01 10
  127 1.16 12
  128 20 200
  129 99.99 999
  130 10.63 106
//