MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000334
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000334
RECORD_TITLE: PALLADIUM DIACETONATE; 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$NAME: PALLADIUM DIACETONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O4Pd
CH$EXACT_MASS: 303.99269
CH$SMILES: CC(=O)C=C(C)O[Pd]OC(C)=CC(C)=O
CH$IUPAC: InChI=1S/2C5H8O2.Pd/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3+;
CH$LINK: INCHIKEY
JKDRQYIYVJVOPF-SYWGCQIGSA-L
AC$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-f422dd9d85e5bd9124c3
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
14 0.6 6
15 3 30
17 0.4 4
18 0.2 2
26 0.8 8
27 2.6 26
28 4 40
29 0.16 2
31 1.4 14
37 0.4 4
38 0.6 6
39 0.22 2
40 0.6 6
41 2.5 25
42 2.8 28
43 99.99 999
44 2 20
45 0.2 2
50 0.2 2
51 0.01 0
53 0.4 4
55 0.8 8
57 0.3 3
58 0.16 2
67 0.2 2
69 0.5 5
71 1.8 18
85 1.94 19
86 0.6 6
98 0.2 2
100 13.7 137
101 0.07 1
103 0.5 5
159 0.2 2
//
system version 2.2.8-SNAPSHOT