MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005347
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005347
RECORD_TITLE: (Z,Z,Z,Z)-6,9,12,15-OCTADECATETRAENOIC 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$NAME: (Z,Z,Z,Z)-6,9,12,15-OCTADECATETRAENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H30O2
CH$EXACT_MASS: 290.22458
CH$SMILES: CCC([H])=C([H])CC([H])=C([H])CC([H])=C([H])CC([H])=C([H])CCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-18H2,1-2H3/b5-4-,8-7-,11-10-,14-13-
CH$LINK: INCHIKEY
BIRKCHKCDPCDEG-GJDCDIHCSA-N
AC$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: splash10-0aru-9500000000-2905ff8debae0e8c3a3f
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
40 2.29 23
41 13.68 137
43 10.85 109
53 1.51 15
55 18.24 182
56 1.15 12
57 4.52 45
59 3.71 37
65 1.23 12
66 8.46 85
67 39.19 392
68 2.43 24
69 13.32 133
71 1.2 12
74 7.95 80
77 10.84 108
78 13.49 135
79 99.99 999
80 47.93 479
81 25.06 251
82 7.57 76
83 5.88 59
84 4.35 44
85 4.49 45
87 10.94 109
91 29.41 294
92 14.65 147
93 60.31 603
94 24.16 242
95 16.74 167
96 1.35 14
97 3.83 38
98 1.46 15
104 1.88 19
105 34.02 340
106 16.58 166
107 25.61 256
108 43.03 430
109 6.43 64
111 1.04 10
117 4.43 44
118 1.56 16
119 24.91 249
120 15.57 156
121 12.72 127
122 12.79 128
123 2.13 21
131 6.34 63
132 1.17 12
133 14.23 142
134 9.55 96
135 15.06 151
136 3.5 35
145 3.2 32
146 1.7 17
147 10.61 106
148 6.54 65
149 4.55 46
161 14.32 143
162 7.58 76
163 1.95 20
171 1.9 19
175 6.95 70
189 3.41 34
194 8.08 81
215 1.39 14
221 8.49 85
222 3.51 35
234 2.12 21
261 1.37 14
290 1.4 14
//