MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001777
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001777
RECORD_TITLE: DOCOSANOIC ACID BUTYL 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$NAME: DOCOSANOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C26H52O2
CH$EXACT_MASS: 396.39673
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C26H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)28-25-6-4-2/h3-25H2,1-2H3
CH$LINK: INCHIKEY
SLUTZBDOCDXRSH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2067240
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: splash10-0a4i-9402000000-6881143b6711b7834c20
PK$NUM_PEAK: 135
PK$PEAK: m/z int. rel.int.
27 0.89 9
29 0.48 5
41 1.16 12
43 1.63 16
55 1.17 12
56 99.99 999
57 16.72 167
58 0.82 8
60 10.95 110
61 14.34 143
62 0.35 4
67 0.37 4
68 0.4 4
69 1.81 18
70 0.93 9
71 7 70
72 0.47 5
73 14.95 150
74 1.48 15
75 0.17 2
81 0.73 7
82 0.93 9
83 3.27 33
84 3.26 33
85 5.79 58
86 0.56 6
87 3.1 31
88 0.4 4
89 0.12 1
95 1.21 12
96 0.93 9
97 4.19 42
98 4.4 44
99 2.23 22
100 0.28 3
101 6.03 60
102 0.96 10
103 0.15 2
109 0.8 8
110 0.47 5
111 2.53 25
112 1.07 11
113 1.43 14
114 0.13 1
115 2.86 29
116 14.21 142
117 12.49 125
118 0.82 8
121 0.29 3
123 0.55 6
124 0.26 3
125 1.75 18
126 0.43 4
127 0.89 9
128 0.13 1
129 21.14 211
130 1.97 20
131 0.13 1
135 0.34 3
137 0.36 4
138 0.19 2
139 1.18 12
140 0.3 3
141 0.5 5
143 1.77 18
144 0.21 2
149 0.35 4
151 0.16 2
152 0.1 1
153 0.76 8
154 0.35 4
155 0.43 4
157 0.86 9
158 0.52 5
163 0.21 2
167 0.49 5
168 0.14 1
169 0.25 3
171 2.12 21
172 1.02 10
181 0.35 4
182 0.14 1
183 0.2 2
185 5.61 56
186 0.86 9
195 0.3 3
196 0.13 1
197 0.19 2
199 0.88 9
200 0.2 2
209 0.21 2
210 0.15 2
211 0.1 1
213 0.56 6
214 0.18 2
222 0.14 1
223 0.27 3
227 1 10
228 0.36 4
236 0.14 1
237 0.2 2
241 2.2 22
242 0.48 5
251 0.12 1
255 0.96 10
256 0.2 2
269 0.31 3
278 0.21 2
279 0.1 1
283 0.54 5
284 0.18 2
292 1.49 15
297 3.21 32
298 0.72 7
303 0.1 1
304 0.1 1
311 0.77 8
312 0.21 2
320 0.49 5
321 0.79 8
322 0.47 5
323 7.32 73
324 1.85 19
325 0.26 3
339 0.82 8
340 9.24 92
341 18.77 188
342 4.2 42
343 0.6 6
353 0.68 7
354 0.32 3
367 0.11 1
396 14.48 145
397 4.37 44
398 0.72 7
//
system version 2.2.6-SNAPSHOT