ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010536
RECORD_TITLE: 6-NITROQUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 6-NITROQUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₆N₂O₂
CH$EXACT_MASS: 174.04293
CH$SMILES: [O-1][N+1](=O)c(c1)cc(c2)c(ncc2)c1
CH$IUPAC: InChI=1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H
CH$LINK: CAS 613-50-3
CH$LINK: INCHIKEY SMHPLBXIVNQFBA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1020984

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00fr-2900000000-44843083b8ef7bcd4db1
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  30 3.43 34
  40 1.02 10
  47 2.09 21
  51 4.06 41
  52 5.54 55
  53 1.33 13
  61 1.42 14
  62 3.03 30
  63 4.92 49
  64 1.19 12
  74 7.86 79
  75 11.59 116
  76 4.36 44
  77 8.39 84
  78 1.49 15
  87 1.47 15
  88 1.28 13
  89 5.87 59
  90 1.2 12
  98 2.58 26
  99 2.68 27
  100 4.45 45
  101 22.29 223
  102 11.84 118
  116 34.89 349
  117 3.52 35
  127 6.43 64
  128 60.77 608
  129 6.78 68
  144 4.41 44
  174 99.99 999
  175 11.32 113
//