MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001743
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001743
RECORD_TITLE: UNDECANEDIOIC ACID DIHEXYL 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$NAME: UNDECANEDIOIC ACID DIHEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H44O4
CH$EXACT_MASS: 384.32396
CH$SMILES: CCCCCCOC(=O)CCCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C23H44O4/c1-3-5-7-16-20-26-22(24)18-14-12-10-9-11-13-15-19-23(25)27-21-17-8-6-4-2/h3-21H2,1-2H3
CH$LINK: INCHIKEY
PPIZSURHTCDRRT-UHFFFAOYSA-N
AC$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$SPLASH: splash10-05aj-5940000000-05a65d720a0c9740790a
PK$NUM_PEAK: 122
PK$PEAK: m/z int. rel.int.
41 1.84 18
42 6.05 61
43 29.81 298
44 1.36 14
55 9.66 97
56 23.64 236
57 20.22 202
58 0.86 9
60 2.36 24
61 11.7 117
67 1.41 14
68 2.77 28
69 14.95 150
70 8.51 85
71 11.16 112
73 6.48 65
81 2.1 21
82 6.52 65
83 18.18 182
84 38.87 389
85 14.82 148
86 0.9 9
87 4.82 48
95 1.26 13
96 3.6 36
97 12.24 122
98 29.59 296
99 2.75 28
100 0.63 6
101 7.11 71
102 1.71 17
103 3.53 35
107 1.46 15
108 0.52 5
109 1.38 14
110 4 40
111 19.62 196
112 12.77 128
113 2.35 24
114 4.35 44
115 6.26 63
116 2.41 24
117 1.54 15
121 1.15 12
123 2.62 26
124 7.59 76
125 15.74 157
126 3.97 40
127 1.5 15
128 1.43 14
129 42.73 427
130 3.45 35
133 0.26 3
134 0.91 9
135 4.07 41
136 0.91 9
137 1.3 13
138 2.4 24
139 15.45 155
140 3.73 37
141 1.17 12
142 1.91 19
143 5.14 51
144 6.23 62
145 4.16 42
146 0.26 3
151 1.78 18
152 46.83 468
153 14.88 149
154 3.19 32
155 1.82 18
156 0.45 5
157 16.46 165
158 2.12 21
162 0.45 5
163 0.32 3
169 0.56 6
170 2.34 23
171 99.99 999
172 15.29 153
173 2.37 24
179 0.42 4
180 2.97 30
181 1.5 15
182 0.19 2
183 0.39 4
185 1.83 18
197 0.53 5
198 0.65 7
199 45.39 454
200 6.52 65
201 0.56 6
212 0.77 8
213 13.57 136
214 2.07 21
226 1.99 20
227 0.92 9
228 3.93 39
229 0.7 7
238 0.77 8
239 0.36 4
240 1.76 18
241 22.71 227
242 3.79 38
254 4.03 40
255 60.25 603
256 14.47 145
257 1.97 20
266 0.91 9
273 2.73 27
274 0.25 3
281 0.12 1
282 2.93 29
283 66.14 661
284 13.18 132
285 1.72 17
301 2.49 25
302 0.24 2
341 0.29 3
384 0.23 2
385 1.74 17
386 0.24 2
//