MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001789
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001789
RECORD_TITLE: CIS-9-OCTADECENOIC 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$NAME: CIS-9-OCTADECENOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H42O2
CH$EXACT_MASS: 338.31848
CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-
CH$LINK: INCHIKEY
WIBFFTLQMKKBLZ-SEYXRHQNSA-N
CH$LINK: COMPTOX
DTXSID7027099
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: splash10-0532-9510000000-dd143b124a3fc321e55d
PK$NUM_PEAK: 133
PK$PEAK: m/z int. rel.int.
4 10.3 103
29 2.75 28
41 8.61 86
43 19.92 199
54 3.34 33
55 30.6 306
56 81.12 811
57 89.88 899
58 3.3 33
60 7.58 76
61 9.8 98
67 10.75 108
68 17.12 171
69 70.89 709
70 36.86 369
71 21.78 218
73 18.24 182
80 2.65 27
81 23.8 238
82 32.82 328
83 99.99 999
84 95.05 951
85 18.96 190
86 1.36 14
87 7.76 78
93 2.74 27
94 6.91 69
95 22.88 229
96 60.45 605
97 98.12 981
98 85.13 851
99 12.12 121
100 5.66 57
101 14.33 143
102 1.42 14
105 1.4 14
107 3.89 39
108 5.33 53
109 19.94 199
110 35.6 356
111 50.82 508
112 22.46 225
113 7.53 75
114 12.51 125
115 8.9 89
116 5.23 52
117 3.86 39
119 4.67 47
121 6.15 62
122 3.04 30
123 23.26 233
124 16.27 163
125 26.65 267
126 10.85 109
127 12.74 127
128 3.51 35
129 15.71 157
130 1.74 17
133 5.74 57
134 5.12 51
135 6.65 67
136 2.35 24
137 14.83 148
138 12.54 125
139 14.61 146
140 6.64 66
141 6.65 67
142 1.38 14
143 4.87 49
147 5.54 55
148 3.77 38
149 4.86 49
150 2.04 20
151 13.02 130
152 11.86 119
153 9.22 92
154 4.36 44
155 5.36 54
156 1.67 17
157 3.11 31
161 3.3 33
162 1.08 11
163 3.41 34
164 1.95 20
165 12.98 130
166 10.14 101
167 6.3 63
168 2.67 27
169 6.6 66
170 2.04 20
171 2.53 25
172 0.57 6
175 2.32 23
177 1.08 11
179 7.94 79
180 18.92 189
181 6.97 70
182 1.83 18
183 8.15 82
184 1.87 19
185 3.25 33
186 0.45 5
189 0.7 7
193 4.31 43
194 3.6 36
195 2.02 20
197 1.55 16
199 2.15 22
207 4.17 42
208 2.9 29
209 1.37 14
211 1.35 14
213 0.49 5
220 6.82 68
221 5.74 57
222 19.99 200
223 4.37 44
235 2.45 25
236 3.28 33
239 0.54 5
245 3.51 35
246 4.5 45
247 2.83 28
263 7.19 72
264 66.21 662
265 38.15 382
266 7.2 72
267 0.49 5
281 0.36 4
282 1.19 12
283 3.24 32
338 9.5 95
339 2.7 27
//