ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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+;
CH$LINK: INCHIKEY DRDZHSCSMNUNPW-MSEGBBJSSA-L

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
//