MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000332
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000332
RECORD_TITLE: COBALT TRIACETYLATONATE; 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$NAME: COBALT TRIACETYLATONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H21CoO6
CH$EXACT_MASS: 356.06701
CH$SMILES: CC(=O)C=C(C)O[Co](OC(C)=CC(C)=O)OC(C)=CC(C)=O
CH$IUPAC: InChI=1S/3C5H8O2.Co/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b2*4-3+;4-3-;
CH$LINK: INCHIKEY
RHCQEPWEBDOALW-AMLHQIMMSA-K
AC$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: splash10-0006-9020000000-9c17df14ebe6aa07f78c
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
14 1.5 15
15 9 90
17 0.5 5
18 0.35 4
26 2 20
27 7 70
28 10 100
29 0.45 5
31 3.5 35
37 0.5 5
38 1.3 13
39 0.06 1
40 0.7 7
41 6.3 63
42 6.5 65
43 99.99 999
44 5.5 55
45 0.7 7
50 0.5 5
51 0.05 1
52 0.2 2
53 1 10
55 2.5 25
57 0.07 1
58 3.5 35
59 5.3 53
60 0.5 5
67 0.06 1
69 1 10
72 4 40
73 0.5 5
74 0.05 1
76 0.5 5
78 1.5 15
85 40.3 403
86 0.15 2
87 3 30
98 0.5 5
99 0.3 3
100 0.29 3
101 1.5 15
113 0.5 5
115 2.5 25
129 0.01 0
131 0.5 5
140 0.5 5
141 0.5 5
142 0.15 2
143 5 50
151 1.8 18
155 2 20
158 0.4 4
159 4 40
200 0.5 5
215 0.5 5
225 0.37 4
240 0.5 5
242 29 290
243 2.5 25
250 0.43 4
251 0.7 7
253 0.7 7
257 24.5 245
258 3 30
//