MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002731
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002731
RECORD_TITLE: METHYL 9-HEXADECENOATE; 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$NAME: METHYL 9-HEXADECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H32O2
CH$EXACT_MASS: 268.24023
CH$SMILES: CCCCCCC=CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8+
CH$LINK: INCHIKEY
IZFGRAGOVZCUFB-CMDGGOBGSA-N
AC$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: splash10-067m-9200000000-8744795f5ff5c5b33df4
PK$NUM_PEAK: 149
PK$PEAK: m/z int. rel.int.
30 0.9 9
31 5.6 56
33 1.4 14
37 0.07 1
38 0.8 8
39 13.4 134
40 31.9 319
41 8.27 83
42 21.7 217
43 59.4 594
44 19.3 193
45 6.37 64
46 1.8 18
47 0.8 8
50 0.6 6
51 0.11 1
52 1.2 12
53 11.1 111
55 99.99 999
56 2.6 26
57 19.7 197
58 1.8 18
59 21.6 216
60 0.16 2
61 1.1 11
63 0.7 7
65 3 30
66 0.28 3
67 37.7 377
68 22.8 228
69 69.1 691
70 1.45 15
71 8.6 86
72 1.5 15
73 6.1 61
74 7.06 71
75 11.5 115
76 1.2 12
77 4 40
78 0.16 2
79 9.7 97
80 5.4 54
81 31.8 318
82 1.92 19
83 43.8 438
84 35.9 359
85 7.7 77
86 0.08 1
87 44.2 442
88 4.5 45
89 0.9 9
91 0.3 3
92 0.9 9
93 4.7 47
94 4.8 48
95 2.2 22
96 34.8 348
97 36.5 365
98 29.7 297
99 0.93 9
100 8.8 88
101 15.2 152
102 1.8 18
103 0.06 1
105 1.7 17
106 0.7 7
107 3.7 37
108 0.33 3
109 11.3 113
110 19.4 194
111 18.3 183
112 0.69 7
113 3.9 39
114 5.6 56
115 7.6 76
116 0.16 2
117 0.8 8
119 3.3 33
120 1.4 14
121 0.41 4
122 2.1 21
123 13.5 135
124 10.1 101
125 0.88 9
126 1.1 11
127 3 30
128 4.7 47
129 0.41 4
130 1.6 16
131 0.7 7
133 3.3 33
134 0.24 2
135 4 40
136 2 20
137 8 80
138 0.88 9
139 5.7 57
140 1.4 14
141 7.4 74
142 0.16 2
143 3.3 33
144 0.6 6
145 9.8 98
146 0.06 1
147 2.1 21
148 1.7 17
149 2.4 24
150 0.09 1
151 5.6 56
152 15 150
153 4.9 49
154 0.07 1
155 2.1 21
157 1.5 15
158 0.7 7
161 0.15 2
163 0.8 8
165 3.4 34
166 3.2 32
167 0.15 2
169 0.8 8
171 1.1 11
172 0.7 7
173 0.7 7
175 1 10
179 2.4 24
180 1.2 12
181 0.09 1
185 1.3 13
186 0.7 7
189 0.8 8
192 0.46 5
193 3.5 35
194 15.4 154
195 3 30
199 0.07 1
200 0.6 6
207 2.2 22
208 1.9 19
218 0.18 2
219 1.3 13
221 0.7 7
225 0.8 8
236 2.3 23
237 15.2 152
238 2.4 24
268 6.1 61
269 0.13 1
270 0.7 7
//