MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009945
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009945
RECORD_TITLE: ETHYL 5,9,13-TRIMETHYL-(2E,4E,8Z,12E)-2,4,8,12-TETRADECATETRAENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 5,9,13-TRIMETHYL-(2E,4E,8Z,12E)-2,4,8,12-TETRADECATETRAENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H30O2
CH$EXACT_MASS: 290.22458
CH$SMILES: CCOC(=O)C=CC=C(C)CCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C19H30O2/c1-6-21-19(20)15-9-14-18(5)13-8-12-17(4)11-7-10-16(2)3/h9-10,12,14-15H,6-8,11,13H2,1-5H3/b15-9+,17-12-,18-14+
CH$LINK: INCHIKEY
WXCIIDBUNPXVPR-OBAPAJOLSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0159-9200000000-a9f1bacc1ab43b041fd6
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
27 2.7 27
28 38.3 383
29 9.8 98
32 1.09 11
39 3.1 31
41 28.3 283
43 4.7 47
53 0.47 5
54 0.5 5
55 6.4 64
56 0.5 5
57 0.23 2
65 1.6 16
67 6.4 64
68 5.5 55
69 99.99 999
70 5.5 55
71 1.3 13
77 3.1 31
79 0.83 8
80 10.9 109
81 57.2 572
82 4.7 47
88 0.16 2
91 3.1 31
92 0.5 5
93 6.4 64
94 0.05 1
95 7.7 77
96 0.5 5
97 1.6 16
105 0.28 3
107 4.1 41
108 2.8 28
109 5.2 52
110 0.05 1
111 2.8 28
119 1.6 16
121 2.3 23
123 0.27 3
125 2.8 28
133 3.1 31
135 1.6 16
136 0.16 2
137 6.3 63
138 0.5 5
139 10.9 109
140 0.05 1
147 3.3 33
148 0.5 5
149 0.5 5
151 0.34 3
152 0.5 5
154 22 220
155 3.1 31
161 0.16 2
166 1.7 17
167 1.5 15
169 0.8 8
175 0.14 1
176 0.7 7
177 2 20
178 1 10
179 0.21 2
180 0.9 9
197 1.6 16
202 1.1 11
203 0.09 1
205 2 20
207 0.8 8
208 0.8 8
216 0.11 1
217 1.4 14
219 1 10
221 1.7 17
245 0.08 1
247 1.3 13
290 2.8 28
291 0.8 8
//