MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001712
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001712
RECORD_TITLE: DECANEDIOIC ACID BIS(2-ETHYLHEXYL) 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$NAME: DECANEDIOIC ACID BIS(2-ETHYLHEXYL) ESTER
CH$NAME: DI(2-ETHYLHEXYL) SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C26H50O4
CH$EXACT_MASS: 426.37091
CH$SMILES: CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC
CH$IUPAC: InChI=1S/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3
CH$LINK: INCHIKEY
VJHINFRRDQUWOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7025055
AC$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$SPLASH: splash10-01w0-6900000000-f8c6674e2d1f1ef6c95c
PK$NUM_PEAK: 113
PK$PEAK: m/z int. rel.int.
29 0.65 7
41 1.19 12
42 1.21 12
43 4.82 48
44 5.59 56
57 45.14 451
58 1.87 19
60 0.96 10
61 5.2 52
69 4.53 45
70 54.31 543
71 43.8 438
72 2.79 28
73 1.09 11
81 0.95 10
82 5.75 58
83 20.43 204
84 17.25 173
85 1.76 18
86 0.46 5
87 1.05 11
93 0.22 2
95 0.51 5
96 0.92 9
97 5.42 54
98 19.41 194
99 1.75 18
101 1.83 18
102 0.14 1
107 0.23 2
109 1.24 12
110 0.82 8
111 2.83 28
112 71.23 712
113 46.79 468
114 4.03 40
115 5.58 56
116 0.59 6
119 0.29 3
121 1.92 19
122 0.38 4
123 0.61 6
124 1.06 11
125 6.54 65
126 0.89 9
127 0.42 4
128 1.32 13
129 1.1 11
130 1.64 16
131 0.4 4
137 0.61 6
138 3.02 30
139 5.95 60
140 1.18 12
141 1.06 11
142 2 20
143 15.11 151
144 1.5 15
148 0.64 6
149 0.44 4
150 0.96 10
151 0.16 2
154 0.49 5
155 0.43 4
156 1.02 10
157 3.52 35
158 6.75 68
159 1.27 13
165 0.39 4
166 8.3 83
167 2.09 21
168 2.17 22
169 2.19 22
170 0.16 2
172 0.53 5
173 0.29 3
183 0.86 9
184 6.5 65
185 99.99 999
186 19.8 198
187 2.18 22
198 0.61 6
199 0.7 7
202 0.74 7
203 6.45 65
204 0.89 9
210 0.15 2
213 0.73 7
214 0.1 1
242 0.23 2
254 0.24 2
255 3.61 36
256 0.64 6
267 0.1 1
268 1.35 14
269 0.34 3
270 1.86 19
271 0.38 4
279 0.23 2
280 1.74 17
296 1.4 14
297 10.56 106
298 2.3 23
299 0.44 4
314 0.54 5
315 5.16 52
316 0.97 10
340 0.34 3
368 0.23 2
396 0.18 2
425 0.17 2
426 1.27 13
427 0.31 3
//
system version 2.2.6-SNAPSHOT