ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007945
RECORD_TITLE: 4-BROMO-2-NITRO-(PHENYLMETHYLENE)AZANOL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 4-BROMO-2-NITRO-(PHENYLMETHYLENE)AZANOL
CH$NAME: 4-BROMO-2-NITRO-BENZALDHYDE OXIM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅BrN₂O₃
CH$EXACT_MASS: 243.94835
CH$SMILES: ON=Cc(c1)c([N+1]([O-1])=O)cc(Br)c1
CH$IUPAC: InChI=1S/C7H5BrN2O3/c8-6-2-1-5(4-9-11)7(3-6)10(12)13/h1-4,11H/b9-4+
CH$LINK: INCHIKEY ZLTOIUHNPLXEBN-RUDMXATFSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV

PK$SPLASH: splash10-003r-9010000000-45f727c98a5e4d6ce3d2
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  79 99.75 998
  81 99.99 999
  195 1.39 14
  196 7.42 74
  197 1.96 20
  198 7.6 76
  214 1.8 18
  216 1.66 17
  226 8.04 80
  228 9.76 98
  230 1.15 12
  244 3.41 34
  246 3.45 35
//