MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008721
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008721
RECORD_TITLE: ETHYLENE DODECANEDIOATE; 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$NAME: ETHYLENE DODECANEDIOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H24O4
CH$EXACT_MASS: 256.16746
CH$SMILES: O=C(C1)OCCOC(=O)CCCCCCCCC1
CH$IUPAC: InChI=1S/C14H24O4/c15-13-9-7-5-3-1-2-4-6-8-10-14(16)18-12-11-17-13/h1-12H2
CH$LINK: INCHIKEY
GJJSUPSPZIZYPM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1044568
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$SPLASH: splash10-052f-9100000000-8523f4d0bacbd3e98cab
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
15 3.27 33
26 1.92 19
27 30.36 304
28 15.37 154
29 35.69 357
30 1.33 13
31 3.87 39
39 24.86 249
40 1.07 11
41 99.99 999
42 34.16 342
43 33.13 331
44 3.9 39
45 11.77 118
53 7.32 73
54 8.51 85
55 86.73 867
56 16.56 166
57 7.42 74
58 4.34 43
59 2.29 23
60 3.41 34
61 2.42 24
65 1.04 10
66 1.04 10
67 16.48 165
68 8.03 80
69 33.43 334
70 7.01 70
71 5.13 51
73 3.16 32
74 1.19 12
79 3.82 38
80 2.86 29
81 9.98 100
82 4.92 49
83 19.84 198
84 32 320
85 3.92 39
86 47.35 474
87 13.2 132
91 1.18 12
93 3.9 39
94 2.52 25
95 4.56 46
96 4.68 47
97 14.7 147
98 65.59 656
99 29.57 296
100 2.75 28
101 1.73 17
104 2.38 24
105 1.08 11
106 1 10
107 2.11 21
108 2.22 22
109 3.42 34
110 3.55 36
111 13.99 140
112 16.44 164
113 3.6 36
115 1.32 13
117 1.25 13
121 1.44 14
122 1.18 12
123 2.64 26
124 2 20
125 5.31 53
126 1.8 18
127 1.27 13
129 1.41 14
135 5.82 58
137 1.83 18
138 2.87 29
141 1.68 17
145 1.41 14
148 1.29 13
149 2.57 26
150 1.23 12
151 1.13 11
152 2.43 24
153 1.78 18
155 3.51 35
159 3.26 33
166 5.14 51
167 2.21 22
168 1 10
173 9.69 97
174 1.21 12
194 3.11 31
195 1.57 16
196 1.18 12
197 7.08 71
198 1.08 11
213 22.69 227
214 2.71 27
256 1.45 15
//