MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001736
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001736
RECORD_TITLE: UNDECANEDIOIC 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$NAME: UNDECANEDIOIC ACID DIBUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H36O4
CH$EXACT_MASS: 328.26136
CH$SMILES: CCCCOC(=O)CCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C19H36O4/c1-3-5-16-22-18(20)14-12-10-8-7-9-11-13-15-19(21)23-17-6-4-2/h3-17H2,1-2H3
CH$LINK: INCHIKEY
MSFKNLZQTPJTLY-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0007-5930000000-05e92c924dde03b1cfe1
PK$NUM_PEAK: 107
PK$PEAK: m/z int. rel.int.
29 2.97 30
41 5.04 50
43 5.01 50
55 6.13 61
56 42.86 429
57 22.38 224
58 0.98 10
60 8.76 88
61 4.57 46
67 1.28 13
68 0.48 5
69 5.75 58
70 0.82 8
71 1.27 13
73 6.66 67
80 0.71 7
81 3.13 31
82 1.87 19
83 9.69 97
84 14.08 141
85 1.56 16
87 4.24 42
88 0.31 3
93 0.63 6
94 1.08 11
95 2.55 26
96 4.52 45
97 18.47 185
98 31.82 318
99 2.77 28
100 0.38 4
101 11.07 111
102 1.07 11
103 2.73 27
104 0.41 4
107 1.46 15
109 4.05 41
110 2.56 26
111 5.58 56
112 3.27 33
113 0.54 5
114 0.63 6
115 3.15 32
116 3.31 33
117 1.17 12
119 0.95 10
120 1.15 12
121 8.42 84
122 1.42 14
123 2.13 21
124 5.3 53
125 32.84 328
126 2.59 26
127 0.36 4
128 0.25 3
129 6.2 62
130 2.57 26
131 0.97 10
137 1.88 19
138 16.84 168
139 17.59 176
140 2.69 27
141 1.7 17
142 7.83 78
143 33.6 336
144 3.09 31
145 0.2 2
147 0.21 2
148 3.31 33
149 1.84 18
150 0.2 2
151 0.4 4
152 1.22 12
153 0.37 4
155 0.61 6
156 1.3 13
157 8.89 89
158 2.62 26
159 0.77 8
165 1.14 11
166 18.68 187
167 5.73 57
168 1.24 12
169 1.15 12
171 1.94 19
172 0.47 5
183 0.58 6
184 1.1 11
185 62.61 626
186 9.97 100
187 1.06 11
198 1.95 20
199 26.22 262
200 3.51 35
201 0.12 1
212 3.23 32
213 0.84 8
214 5.31 53
215 0.7 7
227 3.01 30
228 0.35 4
240 2.34 23
241 99.99 999
242 15.51 155
243 1.77 18
259 1.4 14
315 0.87 9
//
system version 2.2.6-SNAPSHOT