MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001710
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001710
RECORD_TITLE: DECANEDIOIC ACID DIBUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: DECANEDIOIC ACID DIBUTYL ESTER
CH$NAME: DIBUTYL SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H34O4
CH$EXACT_MASS: 314.24571
CH$SMILES: CCCCOC(=O)CCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
CH$LINK: INCHIKEY
PYGXAGIECVVIOZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1041847
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052p-7910000000-ddef7e520d4682270616
PK$NUM_PEAK: 152
PK$PEAK: m/z int. rel.int.
4 4.01 40
27 1.67 17
29 18.68 187
30 0.47 5
39 0.77 8
40 0.25 3
41 23.5 235
42 2.18 22
43 16.51 165
45 0.69 7
47 0.49 5
53 0.31 3
54 1.11 11
55 24.02 240
56 99.99 999
57 70.09 701
58 3.77 38
59 2.19 22
60 22.02 220
61 11.07 111
62 0.34 3
65 1.43 14
66 0.16 2
67 4.92 49
68 4.21 42
69 18.13 181
70 3.24 32
71 3.4 34
72 0.95 10
73 17.76 178
74 2.45 25
75 2.62 26
79 5.06 51
80 2.68 27
81 8.59 86
82 4.9 49
83 22.03 220
84 27.69 277
85 3.73 37
86 1.14 11
87 10.49 105
88 2.89 29
89 1.56 16
91 2.38 24
92 1.16 12
93 3.64 36
94 3.01 30
95 9.04 90
96 10.15 102
97 47.52 475
98 64.58 646
99 7.22 72
100 1.8 18
101 22.32 223
103 14.72 147
105 10.19 102
106 2.06 21
107 5.2 52
108 1.19 12
109 12.07 121
110 7.61 76
111 12.57 126
112 7.03 70
113 2.98 30
114 2.78 28
115 11.31 113
116 7.83 78
117 3.89 39
119 5.82 58
120 4.24 42
121 19.71 197
122 3.9 39
123 8.07 81
124 9.34 93
125 53.23 532
126 5.79 58
127 1.91 19
128 1.38 14
129 9.95 100
130 5.18 52
131 2.6 26
133 4.14 41
136 11.15 112
138 36.32 363
139 42.22 422
140 6.29 63
143 84.31 843
144 6.18 62
145 1.56 16
147 2.56 26
148 6.67 67
149 4.41 44
150 1.25 13
151 2.88 29
154 4.87 49
156 2.94 29
157 14.99 150
158 6.35 64
159 2.2 22
160 1.14 11
163 2.9 29
165 3.45 35
166 34.76 348
167 10.55 106
168 2.42 24
169 2.19 22
170 0.86 9
171 1.41 14
172 1.06 11
173 0.37 4
175 0.42 4
176 0.32 3
177 0.33 3
181 6.07 61
184 2.8 28
185 79.07 791
186 20.18 202
187 2.48 25
188 1.05 11
189 0.1 1
194 0.24 2
196 0.62 6
197 1.12 11
198 2.97 30
199 40.77 408
200 6.83 68
201 0.63 6
206 0.54 5
207 0.25 3
211 0.36 4
212 5.47 55
213 1.74 17
214 8.61 86
215 1.47 15
216 0.15 2
222 0.44 4
223 0.11 1
224 1.79 18
229 0.11 1
240 5.37 54
241 89.63 896
242 25.78 258
243 3.3 33
244 0.35 4
258 0.14 1
259 1.79 18
260 0.23 2
285 0.41 4
314 0.33 3
315 8.2 82
316 1.56 16
317 0.19 2
//
system version 2.2.6-SNAPSHOT