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MassBank Record: JP010844

OXINE-COPPER; EI-B; MS

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

ACCESSION: JP010844
RECORD_TITLE: OXINE-COPPER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: OXINE-COPPER
CH$NAME: BIS(QUINOLIN-8-OLATO)COPPER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H12CuN2O2
CH$EXACT_MASS: 351.01948
CH$SMILES: c(c4)cc(c3)c(n4)c(cc3)O[Cu]Oc(c1)c(n2)c(ccc2)cc1
CH$IUPAC: InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2
CH$LINK: INCHIKEY YXLXNENXOJSQEI-UHFFFAOYSA-L
CH$LINK: COMPTOX DTXSID7020346

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0pb9-0298000000-804f87ca82e5dc5c2646
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  89 5.56 56
  90 7.82 78
  116 3.94 39
  117 29.87 299
  118 2.63 26
  145 4.96 50
  179 2.33 23
  207 99.99 999
  208 10.82 108
  209 44.31 443
  210 4.65 47
  351 82.42 824
  352 17.14 171
  353 38.99 390
  354 7.88 79
  355 1.04 10
//

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