MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009009
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009009
RECORD_TITLE: DIETHYL DIETHYLMALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: DIETHYL DIETHYLMALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20O4
CH$EXACT_MASS: 216.13616
CH$SMILES: CCOC(=O)C(CC)(CC)C(=O)OCC
CH$IUPAC: InChI=1S/C11H20O4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8H2,1-4H3
CH$LINK: INCHIKEY
ZKBBUZRGPULIRN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0058807
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-004i-9600000000-bebdad332459d93d6f69
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
15 1.26 13
26 2.12 21
27 26.16 262
28 3.22 32
29 99.99 999
30 2.31 23
31 2.19 22
39 8.42 84
40 1.92 19
41 30.77 308
42 4.01 40
43 15.34 153
45 24.2 242
53 4.81 48
54 1.58 16
55 24.21 242
56 1.29 13
57 7.94 79
59 4.49 45
67 2.68 27
68 1.82 18
69 34.46 345
70 3.38 34
71 4.81 48
73 21.25 213
81 1.22 12
83 15.82 158
84 1.05 11
85 1.36 14
86 3.28 33
87 8.28 83
95 1.33 13
96 1.89 19
97 8.9 89
98 8.61 86
99 15.27 153
100 1.37 14
101 29.92 299
102 1.43 14
113 4.73 47
114 8.64 86
115 30.85 309
116 6.64 66
127 4.87 49
129 27.69 277
130 1.67 17
141 6.19 62
142 19.45 195
143 26.17 262
144 8.84 88
145 1.25 13
157 2.17 22
170 2.46 25
171 24.45 245
172 1.89 19
173 15.69 157
174 1.43 14
187 2.16 22
188 46.16 462
189 3.89 39
//
system version 2.2.6-SNAPSHOT