MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001773
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001773
RECORD_TITLE: OCTADECANOIC 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$NAME: OCTADECANOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H44O2
CH$EXACT_MASS: 340.33413
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3
CH$LINK: INCHIKEY
ULBTUVJTXULMLP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5027013
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-9430000000-c10587cd208c325f1f43
PK$NUM_PEAK: 124
PK$PEAK: m/z int. rel.int.
27 0.61 6
29 0.53 5
32 0.33 3
41 1.23 12
43 2.56 26
55 1.48 15
56 99.99 999
57 18.04 180
58 1.32 13
60 13.52 135
61 15.43 154
62 0.29 3
67 0.31 3
68 0.38 4
69 2.22 22
70 1.08 11
71 7.64 76
72 0.48 5
73 17.27 173
74 1.81 18
81 0.85 9
82 0.85 9
83 4.05 41
84 3.81 38
85 5.71 57
86 0.59 6
87 3.29 33
88 0.55 6
89 0.19 2
95 1.18 12
96 1.06 11
97 4.89 49
98 4.71 47
99 2.2 22
100 0.26 3
101 7.46 75
102 1.05 11
103 0.31 3
109 0.84 8
110 0.59 6
111 2.57 26
112 1.13 11
113 1.28 13
114 0.14 1
115 3.28 33
116 17.7 177
117 10.51 105
118 0.62 6
121 0.41 4
123 0.55 6
124 0.23 2
125 1.81 18
126 0.42 4
127 0.88 9
129 19.52 195
130 2.21 22
131 0.17 2
135 0.41 4
137 0.33 3
138 0.13 1
139 0.99 10
140 0.38 4
141 0.53 5
142 0.12 1
143 2.12 21
144 0.26 3
149 0.31 3
151 0.21 2
152 0.14 1
153 0.7 7
154 0.28 3
155 0.41 4
157 0.99 10
158 0.58 6
163 0.19 2
166 0.11 1
167 0.47 5
168 0.18 2
169 0.23 2
171 2.33 23
172 0.95 10
180 0.16 2
181 0.4 4
182 0.12 1
185 6.96 70
186 1.02 10
187 0.11 1
195 0.31 3
196 0.18 2
199 1.5 15
200 0.26 3
209 0.2 2
213 0.62 6
214 0.18 2
222 0.56 6
223 0.27 3
224 0.2 2
225 0.14 1
227 1.38 14
228 0.31 3
237 1.38 14
241 5.25 53
242 0.99 10
247 0.3 3
248 0.22 2
255 1.28 13
256 0.25 3
264 0.56 6
265 0.7 7
266 0.47 5
267 14.55 146
268 2.99 30
269 0.36 4
283 0.86 9
284 9.12 91
285 25.51 255
286 4.91 49
287 0.64 6
297 1.32 13
298 0.34 3
311 0.27 3
340 16.09 161
341 4.67 47
342 0.73 7
//