MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001782
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001782
RECORD_TITLE: OCTADECANOIC ACID HEXYL 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$NAME: OCTADECANOIC ACID HEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H48O2
CH$EXACT_MASS: 368.36543
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25)26-23-21-8-6-4-2/h3-23H2,1-2H3
CH$LINK: INCHIKEY
SMWDEDPRQFUXNH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8063042
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: splash10-001r-9220000000-da31c55814718424f643
PK$NUM_PEAK: 124
PK$PEAK: m/z int. rel.int.
37 0.76 8
41 0.26 3
42 2.64 26
43 13.8 138
44 0.85 9
55 3.4 34
56 27.67 277
57 13.53 135
58 0.65 7
60 9.39 94
61 49.01 490
62 1.43 14
67 0.32 3
68 0.79 8
69 8.95 90
70 1.48 15
71 7.61 76
72 0.44 4
73 14.66 147
74 1.65 17
81 0.83 8
82 1.63 16
83 4.44 44
84 99.99 999
85 21.62 216
86 1.36 14
87 3.38 34
88 0.3 3
89 0.14 1
95 1.33 13
96 0.96 10
97 4.48 45
98 4.64 46
99 2.58 26
100 0.34 3
101 2.07 21
102 0.93 9
103 0.36 4
109 0.98 10
110 0.51 5
111 2.61 26
112 1.35 14
113 1.27 13
114 0.3 3
115 3.41 34
116 1.91 19
117 0.21 2
121 0.38 4
123 0.6 6
124 0.37 4
125 1.61 16
126 0.68 7
127 1.06 11
129 11.49 115
130 1.34 13
135 0.4 4
137 0.34 3
138 0.18 2
139 1.12 11
140 0.29 3
141 0.6 6
143 1.71 17
144 3.54 35
145 6.91 69
146 0.59 6
149 0.39 4
152 0.12 1
153 0.83 8
154 0.29 3
155 0.45 5
157 5.32 53
158 0.82 8
163 0.18 2
166 0.14 1
167 0.51 5
168 0.19 2
169 0.28 3
171 1.62 16
172 0.55 6
180 0.21 2
181 0.45 5
182 0.16 2
185 4.35 44
186 0.84 8
195 0.28 3
196 0.24 2
199 1.89 19
200 0.39 4
209 0.14 1
213 2.26 23
214 0.41 4
219 1.39 14
221 0.22 2
222 0.74 7
223 0.2 2
224 0.36 4
225 0.26 3
227 1.06 11
228 0.24 2
241 4.63 46
242 0.85 9
247 0.32 3
248 0.31 3
255 1.09 11
256 0.27 3
264 0.89 9
265 1.11 11
266 0.56 6
267 9.93 99
268 2.52 25
269 0.65 7
282 0.2 2
283 0.9 9
284 15.17 152
285 41.67 417
286 7.83 78
287 1.1 11
311 0.12 1
325 0.82 8
326 0.25 3
339 0.11 1
368 11.3 113
369 3.69 37
370 0.65 7
//