MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005361
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005361
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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-054o-9300000000-d1c4f449e87d4021bc51
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
40 4 40
41 72.69 727
42 6.48 65
43 8.81 88
44 1.24 12
45 6.33 63
50 0.36 4
51 4.58 46
52 3.47 35
53 15.15 152
54 8.1 81
55 33.16 332
56 1.6 16
57 0.44 4
59 19.01 190
63 1.8 18
65 12.53 125
66 16.24 162
67 64.51 645
68 8.66 87
69 14.67 147
70 1.75 18
71 2.15 22
73 0.96 10
74 9.04 90
77 30.49 305
78 20.39 204
79 99.99 999
80 34.06 341
81 20.35 204
82 4.03 40
83 0.67 7
84 2.57 26
85 2.22 22
87 7.28 73
89 0.57 6
91 52.07 521
92 9.34 93
93 40.98 410
94 15.24 152
95 13.45 135
96 0.74 7
97 2.15 22
98 1.13 11
99 0.41 4
101 0.73 7
103 2.66 27
104 3.05 31
105 25.52 255
106 11.64 116
107 14.28 143
108 28.08 281
109 5.35 54
111 0.48 5
113 0.5 5
115 5.13 51
116 1.86 19
117 7.52 75
118 2.83 28
119 18.23 182
120 8.49 85
121 9.93 99
122 8.86 89
123 2.99 30
128 0.32 3
129 1.63 16
130 0.36 4
131 6.35 64
132 0.81 8
133 9.31 93
134 6.9 69
135 6.25 63
136 2.31 23
137 0.29 3
141 0.4 4
145 4.5 45
147 7.5 75
148 5.16 52
149 1.92 19
150 0.71 7
159 0.86 9
161 10.83 108
162 3.76 38
173 1.24 12
174 0.29 3
175 3.81 38
176 1.25 13
183 0.36 4
185 0.23 2
187 0.3 3
189 2.21 22
194 5.51 55
195 0.44 4
201 0.49 5
208 1.09 11
210 0.57 6
215 0.27 3
221 4.06 41
222 0.29 3
233 0.74 7
234 1.6 16
236 0.51 5
290 1 10
//