ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011164
RECORD_TITLE: 4-QUINOLINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SAWADA M, THE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-QUINOLINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₇NO
CH$EXACT_MASS: 145.05276
CH$SMILES: O=C(C=1)c(c2)c(ccc2)NC1
CH$IUPAC: InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50209980

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-00ke-9500000000-7eaa976076b44037ed38
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  37 4.4 44
  38 7.8 78
  39 15 150
  40 9.8 98
  41 6.8 68
  42 2.2 22
  43 4.4 44
  44 58.4 584
  45 3 30
  46 1.6 16
  49 1.2 12
  50 12.9 129
  51 9.9 99
  52 7.2 72
  53 5.2 52
  54 1.8 18
  55 4 40
  56 1.6 16
  57 3.8 38
  58 2.2 22
  59 20.6 206
  60 1.1 11
  61 4.7 47
  62 10.9 109
  63 29.2 292
  64 17.6 176
  65 6.2 62
  66 1.7 17
  67 2.1 21
  68 2.4 24
  69 4.9 49
  70 1.7 17
  71 2 20
  73 4.1 41
  74 7.8 78
  75 6.6 66
  76 7 70
  77 10.3 103
  78 4.5 45
  81 2.6 26
  82 1.4 14
  83 2 20
  84 1.2 12
  85 1.9 19
  86 1.8 18
  87 3 30
  88 4.4 44
  89 51 510
  90 60.1 601
  91 10.2 102
  92 10.4 104
  93 2 20
  95 1.7 17
  96 1.1 11
  97 1.7 17
  98 1.4 14
  99 1 10
  101 1.2 12
  102 1.2 12
  103 1 10
  104 6.1 61
  105 4.6 46
  111 1 10
  114 1.2 12
  115 2 20
  116 24.1 241
  117 85.7 857
  118 16.3 163
  119 3.1 31
  121 1.1 11
  144 11 110
  145 99.99 999
  146 27.1 271
  147 2.2 22
//