MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001775
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001775
RECORD_TITLE: EICOSANOIC 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$NAME: EICOSANOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H48O2
CH$EXACT_MASS: 368.36543
CH$SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C24H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)26-23-6-4-2/h3-23H2,1-2H3
CH$LINK: INCHIKEY
WZRBMKGXBAVSQL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3067239
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-9312000000-5c18561353183b7e2035
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
41 1.1 11
43 1.83 18
55 1.12 11
56 99.99 999
57 19.23 192
58 0.52 5
60 11.48 115
61 15.89 159
69 1.51 15
70 0.96 10
71 7.23 72
73 19.2 192
74 1.52 15
81 0.7 7
82 0.8 8
83 3.44 34
84 3.38 34
85 5.49 55
86 0.6 6
87 3.09 31
88 0.3 3
95 0.92 9
96 0.88 9
97 4.42 44
98 3.85 39
99 2.25 23
101 6.27 63
102 0.7 7
109 0.92 9
110 0.4 4
111 3.16 32
112 0.99 10
113 1.34 13
115 2.79 28
116 18.61 186
117 12.77 128
118 0.6 6
123 0.27 3
125 1.7 17
126 0.37 4
127 0.89 9
129 19.49 195
130 1.82 18
135 0.22 2
139 1.1 11
141 0.57 6
142 0.21 2
143 1.77 18
153 0.64 6
155 0.41 4
157 1.4 14
158 0.69 7
167 0.41 4
171 2.88 29
172 0.81 8
181 0.22 2
185 5.81 58
186 0.73 7
195 0.21 2
199 0.79 8
208 0.12 1
209 0.23 2
213 1.84 18
214 0.3 3
227 1.67 17
228 0.28 3
241 1.35 14
250 0.25 3
255 0.67 7
265 0.23 2
269 3.56 36
270 0.93 9
283 1.03 10
284 0.3 3
292 0.37 4
293 0.78 8
294 0.27 3
295 10.02 100
296 2.08 21
297 0.29 3
311 0.64 6
312 11.25 113
313 25 250
314 5.33 53
315 0.53 5
325 1.37 14
326 0.19 2
367 0.16 2
368 13.94 139
369 3.83 38
370 0.54 5
//