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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003494

QUINOLINE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003494
RECORD_TITLE: QUINOLINE; EI-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$NAME: QUINOLINE
CH$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$LINK: INCHIKEY SMWDFEZZVXVKRB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021798

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-004i-0900000000-589a1fb16b83c4fe8115
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  57 0.43 4
  63 0.84 8
  75 0.84 8
  76 5.52 55
  77 2.2 22
  78 2.57 26
  79 0.5 5
  89 0.26 3
  101 4.73 47
  102 23.8 238
  103 7.4 74
  104 0.31 3
  127 1.35 14
  128 17.39 174
  129 99.99 999
  130 12.47 125
  131 0.55 6
//

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