MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004583
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004583
RECORD_TITLE: ETHYL 10-PHENOXY-2,4-DECADIENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 10-PHENOXY-2,4-DECADIENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H24O3
CH$EXACT_MASS: 288.17254
CH$SMILES: CCOC(=O)C=CC=CCCCCCOc(c1)cccc1
CH$IUPAC: InChI=1S/C18H24O3/c1-2-20-18(19)15-11-6-4-3-5-7-12-16-21-17-13-9-8-10-14-17/h4,6,8-11,13-15H,2-3,5,7,12,16H2,1H3/b6-4+,15-11+
CH$LINK: INCHIKEY
UBCABTOWERAKNF-OKOYHYLBSA-N
AC$INSTRUMENT: SHIMADZU LKB-9000B
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: splash10-056v-9510000000-ed0a8eb548e48e739715
PK$NUM_PEAK: 131
PK$PEAK: m/z int. rel.int.
37 0.5 5
38 1.7 17
39 18.5 185
41 2.6 26
42 1.8 18
43 9.1 91
45 1.9 19
47 0.05 1
50 2.5 25
51 9.9 99
52 2.6 26
53 1.54 15
54 3.2 32
55 38.4 384
56 2.5 25
57 0.27 3
60 0.6 6
61 0.9 9
62 0.6 6
63 0.25 3
64 2.3 23
65 27.2 272
66 25.9 259
67 4.58 46
68 10.3 103
69 7.2 72
70 1.3 13
71 0.19 2
73 0.8 8
74 0.5 5
75 0.9 9
76 0.16 2
77 57.8 578
78 12 120
79 70.7 707
80 1.02 10
81 38.5 385
82 5 50
83 9.5 95
84 0.58 6
85 2.1 21
86 2.5 25
87 0.5 5
88 0.15 2
90 0.6 6
91 19.7 197
92 6.4 64
93 2.86 29
94 99.99 999
95 18.5 185
96 0.5 5
97 1.9 19
98 3.2 32
99 9.3 93
100 0.8 8
101 0.13 1
102 0.5 5
103 0.6 6
104 1.7 17
105 1.04 10
106 9.3 93
107 57.4 574
108 5.1 51
109 0.21 2
110 1 10
111 9.1 91
112 7.9 79
113 0.18 2
114 5.9 59
115 1.6 16
116 0.7 7
117 0.13 1
118 1 10
119 20.5 205
120 21.2 212
121 6.85 69
122 10.3 103
123 8.3 83
124 8 80
125 2.78 28
126 2.3 23
127 5.9 59
128 1.3 13
129 0.14 1
130 1.4 14
131 9.7 97
132 1.4 14
133 0.92 9
134 1.1 11
135 1 10
137 3.7 37
138 0.14 1
139 1.8 18
140 1.7 17
141 0.8 8
144 0.06 1
145 1.1 11
146 1.1 11
147 6.6 66
148 1.79 18
149 69.1 691
150 8.7 87
151 2.8 28
152 0.35 4
153 5.3 53
154 0.6 6
157 0.5 5
159 0.15 2
160 0.5 5
161 0.6 6
165 10.3 103
166 0.25 3
167 2.7 27
171 0.5 5
173 0.7 7
194 0.7 7
195 22 220
196 2.9 29
200 0.8 8
203 0.07 1
204 0.6 6
214 0.7 7
215 0.6 6
225 0.14 1
242 9 90
243 12.5 125
244 2.1 21
287 0.08 1
288 36.4 364
289 7.8 78
290 1 10
//