ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007402
RECORD_TITLE: QUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-004i-5900000000-f63ba1bba58ccc63c20a
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  17 1.58 16
  18 6.72 67
  26 0.69 7
  27 0.99 10
  28 2.18 22
  32 0.59 6
  37 1.09 11
  38 1.98 20
  39 3.36 34
  49 0.99 10
  50 8.6 86
  50.5 0.69 7
  51 14.04 140
  51.5 0.89 9
  52 3.07 31
  61 1.19 12
  62 2.08 21
  63 4.15 42
  64 2.18 22
  64.5 5.24 52
  65 0.99 10
  73 0.69 7
  74 4.45 45
  75 7.12 71
  76 8.6 86
  77 3.16 32
  78 1.98 20
  79 0.79 8
  87 0.79 8
  89 0.69 7
  98 0.79 8
  99 0.79 8
  100 0.99 10
  101 5.73 57
  102 19.78 198
  103 6.53 65
  127 1.58 16
  128 15.13 151
  129 99.99 999
  130 10.28 103
//