MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000342
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000342
RECORD_TITLE: COBALT DIACETYLACETONATE; 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$NAME: COBALT DIACETYLACETONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14CoO4
CH$EXACT_MASS: 257.02241
CH$SMILES: CC(=O)C=C(C)O[Co]OC(C)=CC(C)=O
CH$IUPAC: InChI=1S/2C5H8O2.Co/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b4-3+;4-3-;
CH$LINK: INCHIKEY
UTYYEGLZLFAFDI-OHSCNOFNSA-L
AC$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: splash10-0a4i-7950000000-df6d18c32ba6f44890f5
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
15 2 20
18 1 10
19 4 40
26 0.03 0
27 1.5 15
28 3 30
29 0.5 5
31 0.05 1
39 1.5 15
41 1.5 15
42 2 20
43 0.29 3
44 0.5 5
53 1 10
55 2.8 28
57 0.15 2
58 3 30
59 12 120
60 1.3 13
61 0.08 1
67 1 10
69 1.3 13
71 1 10
72 0.35 4
73 1.5 15
74 11.5 115
75 0.5 5
76 0.01 0
81 0.5 5
82 0.25 3
83 0.25 3
84 0.75 8
85 58 580
86 2.5 25
87 7.5 75
97 0.05 1
98 2 20
99 1.5 15
100 25.5 255
101 0.02 0
102 1 10
103 1 10
112 0.8 8
113 0.15 2
114 0.5 5
115 6 60
116 1 10
118 0.01 0
121 1 10
128 1 10
129 2 20
131 0.02 0
133 13 130
134 0.5 5
155 3.5 35
156 0.01 0
157 3 30
158 99.99 999
163 0.5 5
165 0.05 1
183 0.5 5
184 0.5 5
185 0.5 5
186 0.05 1
187 0.5 5
200 1.5 15
201 1 10
215 0.15 2
225 2 20
233 1.25 13
239 2 20
242 0.8 8
243 8 80
244 0.5 5
254 2.5 25
256 0.75 8
257 75 750
258 7.5 75
259 1 10
260 0.25 3
//