MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001784
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001784
RECORD_TITLE: EICOSANOIC 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$NAME: EICOSANOIC ACID HEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C26H52O2
CH$EXACT_MASS: 396.39673
CH$SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C26H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26(27)28-25-23-8-6-4-2/h3-25H2,1-2H3
CH$LINK: INCHIKEY
MPLBHUPXLJXOLF-UHFFFAOYSA-N
AC$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$SPLASH: splash10-03e9-9202000000-e3456f2affb86505e479
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
42 2.82 28
43 14.08 141
44 0.29 3
55 3.07 31
56 24.87 249
57 14.12 141
58 0.82 8
60 8.7 87
61 56.43 564
62 1.4 14
68 0.78 8
69 7.61 76
70 1.97 20
71 7.88 79
73 16.05 161
74 1.42 14
81 0.69 7
82 1.86 19
83 5.36 54
84 99.99 999
85 22.7 227
86 1.56 16
87 3.09 31
95 1.24 12
96 1.34 13
97 4.44 44
98 5.02 50
99 2.34 23
101 2.03 20
102 0.98 10
109 1 10
110 0.55 6
111 2.96 30
112 3.77 38
113 2.09 21
115 3.97 40
116 2.34 23
117 0.25 3
123 0.68 7
125 1.73 17
126 0.5 5
127 1.07 11
129 11.78 118
130 1.37 14
135 0.32 3
137 0.23 2
139 1.13 11
140 0.21 2
141 0.64 6
143 1.31 13
144 3.71 37
145 7.93 79
146 0.75 8
149 0.2 2
153 0.81 8
154 0.33 3
155 0.35 4
157 6.13 61
158 0.81 8
167 0.56 6
168 0.18 2
169 0.2 2
171 1.91 19
172 0.56 6
181 0.36 4
183 0.13 1
185 2.83 28
186 0.54 5
195 0.22 2
199 1.2 12
200 0.38 4
208 0.15 2
209 0.37 4
213 3.73 37
214 0.64 6
223 0.14 1
227 1.59 16
228 0.2 2
241 1.08 11
242 0.2 2
250 0.5 5
255 0.8 8
267 0.23 2
269 3.43 34
270 0.66 7
283 0.86 9
284 0.76 8
285 1.04 10
286 0.18 2
292 0.63 6
293 0.97 10
294 0.33 3
295 7.87 79
296 1.67 17
297 0.37 4
311 0.89 9
312 16.88 169
313 39.37 394
314 8.2 82
315 1.06 11
353 0.43 4
395 0.11 1
396 13.13 131
397 3.66 37
398 0.54 5
//