ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011200
RECORD_TITLE: 4-QUINAZOLINONE; 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$NAME: 4-QUINAZOLINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₆N₂O
CH$EXACT_MASS: 146.04801
CH$SMILES: O=C(N=1)c(c2)c(ccc2)NC1
CH$IUPAC: InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
CH$LINK: INCHIKEY QMNUDYFKZYBWQX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8049412

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$SPLASH: splash10-0002-6900000000-66f7a9b813d726764f21
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  37 1.7 17
  38 3.8 38
  39 7 70
  40 2.4 24
  41 2.2 22
  42 1.6 16
  43 2.1 21
  44 12.2 122
  45 1.3 13
  50 6.2 62
  51 2.7 27
  52 3.8 38
  53 2.1 21
  57 1.1 11
  58 1.7 17
  59 1 10
  61 1.1 11
  62 2.8 28
  63 11.2 112
  64 12.7 127
  65 3.2 32
  73 1.5 15
  74 3 30
  75 2.7 27
  76 5.8 58
  77 1.7 17
  88 1 10
  90 15.8 158
  91 15.1 151
  92 12.2 122
  103 1.5 15
  117 6 60
  118 28.3 283
  119 17.9 179
  120 2.1 21
  131 1 10
  134 1.5 15
  135 1.9 19
  145 31.5 315
  146 99.99 999
  147 13.2 132
//