ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000341
RECORD_TITLE: ALUMINIUM TRIACETYLACETONATE; 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$NAME: ALUMINIUM TRIACETYLACETONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₁AlO₆
CH$EXACT_MASS: 324.11535
CH$SMILES: CC(=O)C=C(C)O[Al](OC(C)=CC(C)=O)OC(C)=CC(C)=O
CH$IUPAC: InChI=1S/3C5H8O2.Al/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3+;
CH$LINK: INCHIKEY KILURZWTCGSYRE-MUCWUPSWSA-K

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$SPLASH: splash10-004l-4981000000-83dd43928fa3cbdf797c
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  15 2 20
  18 2 20
  26 0.5 5
  27 0.2 2
  28 6 60
  31 0.3 3
  32 0.3 3
  39 0.02 0
  41 2 20
  42 2 20
  43 30 300
  44 0.01 0
  50 0.5 5
  51 0.5 5
  52 0.5 5
  53 0.05 1
  55 0.5 5
  56 0.1 1
  57 1 10
  58 0.05 1
  59 1.3 13
  69 1 10
  72 0.7 7
  77 0.05 1
  78 3 30
  83 1 10
  85 6.3 63
  97 0.01 0
  98 0.8 8
  99 3 30
  100 5 50
  101 0.05 1
  105 3 30
  111 1.3 13
  113 0.7 7
  123 0.07 1
  125 5 50
  126 9 90
  127 6 60
  140 0.23 2
  141 37 370
  142 3 30
  143 21 210
  144 0.01 0
  147 8 80
  151 1 10
  155 1 10
  156 0.08 1
  157 9 90
  158 1 10
  181 1.3 13
  182 0.02 0
  183 6.3 63
  184 0.7 7
  185 1 10
  195 0.05 1
  196 1 10
  207 3.3 33
  208 1 10
  209 0.04 0
  210 0.5 5
  224 5 50
  225 99.99 999
  226 0.12 1
  227 1 10
  239 0.7 7
  251 0.7 7
  281 0.01 0
  324 18 180
  325 3 30
  326 0.7 7
//