ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000337
RECORD_TITLE: PALLADIUM DI(3-BROMOACETYLACETONATE); 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$NAME: PALLADIUM DI(3-BROMOACETYLACETONATE)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂Br₂O₄Pd
CH$EXACT_MASS: 459.81372
CH$SMILES: CC(=O)C(Br)=C(C)O[Pd]OC(C)=C(Br)C(C)=O
CH$IUPAC: InChI=1S/2C5H7BrO2.Pd/c2*1-3(7)5(6)4(2)8;/h2*7H,1-2H3;/q;;+2/p-2/b2*5-3+;
CH$LINK: INCHIKEY QYXHETFVNFTXGP-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$SPLASH: splash10-0006-9100000000-35a67068b51624903ea1
PK$NUM_PEAK: 123
PK$PEAK: m/z int. rel.int.
  13 0.2 2
  14 1.25 13
  15 6.4 64
  16 0.02 0
  17 2 20
  18 8.25 83
  25 0.5 5
  26 0.02 0
  27 6.1 61
  28 7.5 75
  29 3.1 31
  30 0.02 0
  31 1.7 17
  32 1.1 11
  36 0.3 3
  37 0.08 1
  38 1.5 15
  39 4.5 45
  40 1.2 12
  41 0.04 0
  42 4.5 45
  43 99.99 999
  44 5.6 56
  45 0.17 2
  47 0.05 1
  48 0.1 1
  49 0.25 3
  50 0.06 1
  51 0.6 6
  52 0.3 3
  53 1.1 11
  54 0.05 1
  55 5.3 53
  56 0.6 6
  57 2.05 21
  58 1.25 13
  59 0.1 1
  60 1.1 11
  61 0.3 3
  62 0.01 0
  63 0.2 2
  65 0.2 2
  66 0.2 2
  67 0.11 1
  68 1 10
  69 1.9 19
  70 0.3 3
  71 0.11 1
  72 1.2 12
  73 0.7 7
  74 0.6 6
  76 0.01 0
  77 0.6 6
  78 1 10
  79 0.6 6
  80 0.02 0
  81 1 10
  82 0.9 9
  83 1.45 15
  84 0.07 1
  85 10 100
  86 0.8 8
  87 0.2 2
  88 0.01 0
  91 0.5 5
  92 1.1 11
  93 1.05 11
  94 0.04 0
  95 0.5 5
  96 0.15 2
  97 0.5 5
  98 0.02 0
  99 2.2 22
  100 7.85 79
  101 0.6 6
  102 0.03 0
  103 0.2 2
  105 0.8 8
  106 0.1 1
  107 0.05 1
  108 0.1 1
  109 0.3 3
  110 0.1 1
  111 0.03 0
  112 0.2 2
  113 0.3 3
  115 0.1 1
  116 0.01 0
  119 2.3 23
  120 0.15 2
  121 1 10
  122 0.03 0
  123 0.3 3
  124 0.1 1
  125 0.2 2
  126 0.01 0
  127 0.1 1
  128 0.1 1
  129 0.1 1
  134 0.51 5
  135 1.1 11
  136 5.3 53
  137 0.35 4
  138 0.49 5
  139 0.3 3
  141 0.3 3
  149 0.3 3
  151 0.02 0
  152 0.3 3
  153 0.4 4
  154 0.2 2
  155 0.01 0
  163 4.5 45
  164 0.1 1
  165 4.3 43
  166 0.01 0
  178 2.5 25
  179 0.1 1
  180 2.4 24
  181 0.01 0
  186 0.1 1
  188 0.1 1
  198 0.6 6
//