MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010844
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
//