MassBank Record: JP000338



 COPPER DI(3-NITROACETYLACETONATE); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000338
RECORD_TITLE: COPPER DI(3-NITROACETYLACETONATE); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: COPPER DI(3-NITROACETYLACETONATE) CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12CuN2O8 CH$EXACT_MASS: 350.98897 CH$SMILES: CC(=O)C([N+1]([O-1])=O)=C(C)O[Cu]OC(C)=C(C(C)=O)[N+1]([O-1])=O CH$IUPAC: InChI=1S/2C5H7NO4.Cu/c2*1-3(7)5(4(2)8)6(9)10;/h2*7H,1-2H3;/q;;+2/p-2/b2*5-3+;
AC$INSTRUMENT: HITACHI RMU-6D AC$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$SPLASH: splash10-0006-9000000000-ed42282a3cdffeaf6383 PK$NUM_PEAK: 71 PK$PEAK: m/z int. rel.int. 12 0.5 5 13 0.6 6 14 3.4 34 15 0.96 10 16 0.8 8 17 3 30 18 12.4 124 24 0.01 0 25 0.6 6 26 2 20 27 4.2 42 28 1.46 15 29 3.8 38 30 7.8 78 31 1.6 16 32 0.01 0 37 0.4 4 38 1.5 15 39 3.4 34 40 0.15 2 41 3.6 36 42 10 100 43 99.99 999 44 0.2 2 45 7.8 78 46 0.2 2 49 0.1 1 50 0.11 1 51 1.4 14 52 1.1 11 53 0.6 6 54 0.46 5 55 1.6 16 56 0.2 2 57 0.5 5 58 0.14 1 59 0.2 2 60 5.8 58 61 0.3 3 63 0.02 0 67 0.7 7 68 0.4 4 69 6.2 62 70 0.14 1 71 0.8 8 72 1.6 16 73 0.2 2 74 0.02 0 76 0.2 2 77 0.8 8 78 4.2 42 79 0.04 0 81 0.1 1 82 0.2 2 83 0.3 3 84 0.04 0 85 14.2 142 86 1.4 14 87 0.4 4 88 0.02 0 100 10 100 102 0.4 4 104 0.4 4 105 0.01 0 127 1.5 15 128 1.1 11 129 0.4 4 130 0.02 0 134 0.1 1 142 0.5 5 145 0.8 8 //