MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005365
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005365
RECORD_TITLE: 9,10-EPOXYOCTADECANOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: 9,10-EPOXYOCTADECANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H36O3
CH$EXACT_MASS: 312.26645
CH$SMILES: CCCCCCCCC(O1)C(CCCCCCCC(=O)OC)1
CH$IUPAC: InChI=1S/C19H36O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h17-18H,3-16H2,1-2H3
CH$LINK: INCHIKEY
CAMHHLOGFDZBBG-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0ab9-9600000000-385f611463c2fbb49796
PK$NUM_PEAK: 89
PK$PEAK: m/z int. rel.int.
41 4.67 47
42 4.1 41
43 12.86 129
45 1.31 13
54 3.46 35
55 21.72 217
56 14.76 148
57 23.19 232
58 2.14 21
59 4.04 40
67 14.34 143
68 15.84 158
69 39.37 394
70 16.69 167
71 15.64 156
72 1.7 17
73 1.06 11
74 74.08 741
75 7.92 79
79 1.77 18
80 2.54 25
81 13.76 138
82 20.3 203
83 28.23 282
84 11.43 114
85 11.14 111
86 1.35 14
87 42.82 428
88 3.59 36
91 1.46 15
93 3.07 31
94 17.3 173
95 19.73 197
96 23.22 232
97 35.49 355
98 9.59 96
99 3.48 35
101 5.6 56
102 1.4 14
107 3.43 34
108 3.4 34
109 18.85 189
110 7.72 77
111 6.39 64
112 1.99 20
113 3.61 36
114 2.89 29
115 4.25 43
119 1.92 19
120 8.91 89
121 7.06 71
122 1.29 13
123 3.33 33
124 7.46 75
125 6.53 65
126 3.77 38
127 19.51 195
128 3.08 31
129 2.32 23
135 1.86 19
136 6.12 61
137 5.59 56
138 11.05 111
139 19.67 197
140 3.6 36
141 5.57 56
142 3.54 35
143 3.65 37
149 1.42 14
150 1.14 11
153 17.71 177
154 5.01 50
155 99.99 999
156 11.63 116
157 3.56 36
158 2.12 21
165 1.06 11
167 4.83 48
168 3.83 38
169 2.65 27
170 4.83 48
171 18.31 183
172 2.99 30
183 1.99 20
185 2.57 26
187 4.13 41
199 15.4 154
200 1.44 14
207 2.35 24
//