MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005363
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005363
RECORD_TITLE: 6,7-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$NAME: 6,7-EPOXYOCTADECANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H36O3
CH$EXACT_MASS: 312.26645
CH$SMILES: CCCCCCCCCCCC(O1)C(CCCCC(=O)OC)1
CH$IUPAC: InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-14-17-18(22-17)15-12-13-16-19(20)21-2/h17-18H,3-16H2,1-2H3
CH$LINK: INCHIKEY
XZBRNQGAEDOQPT-UHFFFAOYSA-N
AC$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: splash10-03di-9700000000-0ccd62beb39ffa4e8d45
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
41 3.98 40
42 2.03 20
43 12.92 129
54 2.15 22
55 15.36 154
56 10.95 110
57 21.4 214
58 2.18 22
59 5.15 52
67 15.35 154
68 20.13 201
69 31.52 315
70 21.05 211
71 14.01 140
72 1.86 19
73 1.41 14
74 9.95 100
79 1.12 11
80 1.76 18
81 7.58 76
82 13.03 130
83 24.41 244
84 14.81 148
85 15.37 154
86 1.32 13
87 18.26 183
88 1.34 13
93 1.55 16
94 1.53 15
95 11.49 115
96 9.01 90
97 32.32 323
98 9.36 94
99 2.97 30
100 1.4 14
101 2.37 24
109 5.25 53
110 2.73 27
111 11.17 112
112 23.32 233
113 99.99 999
114 8.82 88
115 6.14 61
116 5.44 54
123 3.91 39
124 2.13 21
125 3.34 33
126 3.46 35
127 3.66 37
128 6.65 67
129 32.24 322
130 3.31 33
137 1.93 19
138 1.71 17
139 2.85 29
140 2.76 28
143 3.49 35
144 8.23 82
145 20.83 208
146 1.95 20
147 1.48 15
151 1.09 11
153 1.1 11
157 2.48 25
158 2.43 24
166 2.43 24
167 1.02 10
171 1.28 13
172 1.56 16
179 1.06 11
183 1.34 13
195 1.22 12
197 15.98 160
198 2.78 28
225 1.85 19
238 6.1 61
239 1.38 14
312 1.11 11
//