MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005364
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005364
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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-07bf-9300000000-5370036622a9596ac699
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
41 86.08 861
42 18.71 187
43 84.2 842
45 4.38 44
53 6.77 68
54 13.01 130
55 83.74 837
56 25.46 255
57 57.79 578
58 5.85 59
59 25.5 255
65 1.34 13
66 1.71 17
67 49.31 493
68 29.72 297
69 74.04 740
70 28.78 288
71 23.71 237
72 2.29 23
73 6.94 69
74 19.87 199
75 1.01 10
77 1.89 19
79 5.01 50
80 2.84 28
81 17.48 175
82 19.41 194
83 34.99 350
84 21.01 210
85 30.7 307
86 2.04 20
87 31.31 313
88 2.59 26
93 3.57 36
94 2.58 26
95 20.28 203
96 11.29 113
97 40.27 403
98 15.13 151
99 4.03 40
100 2.25 23
101 3.43 34
102 1.14 11
107 3.17 32
109 7.95 80
110 3.17 32
111 13.26 133
112 23.9 239
113 99.99 999
114 7.65 77
115 10.9 109
116 4.72 47
121 2.02 20
123 3.89 39
124 2 20
125 5.78 58
126 6.83 68
127 3.93 39
128 6.23 62
129 30.05 301
130 3.81 38
135 1.22 12
137 2.42 24
138 2.29 23
139 3.36 34
140 5.12 51
141 1.09 11
143 3.3 33
144 6.93 69
145 19.27 193
146 1.84 18
147 1.52 15
153 1.61 16
154 1.97 20
155 1.19 12
157 2.85 29
158 5.27 53
165 1.1 11
166 1.88 19
171 1.31 13
172 3.67 37
183 2.35 24
197 14.35 144
198 3.86 39
225 1.86 19
238 2.66 27
239 1.03 10
//