MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002188
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002188
RECORD_TITLE: CIS-9,CIS-12-OCTADECADIENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: CIS-9,CIS-12-OCTADECADIENOIC ACID METHYL ESTER
CH$NAME: LINOLEIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H34O2
CH$EXACT_MASS: 294.25588
CH$SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
CH$LINK: INCHIKEY
WTTJVINHCBCLGX-NQLNTKRDSA-N
CH$LINK: COMPTOX
DTXSID7020843
AC$INSTRUMENT: JEOL JMS-01-SG
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: splash10-014j-9300000000-729382f4e6ed1136cb48
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
51 2.2 22
53 8.1 81
54 35.9 359
55 5.25 53
59 6.2 62
65 6.2 62
66 6.6 66
67 99.99 999
68 41.1 411
69 27.7 277
70 2.2 22
71 0.18 2
73 1.8 18
74 7.4 74
77 9.2 92
78 0.4 4
79 30 300
80 20.3 203
81 20.3 203
82 4.55 46
83 19.2 192
84 2.5 25
85 3.7 37
87 0.55 6
91 7.7 77
92 2.2 22
93 12.5 125
94 1.55 16
95 48.1 481
96 39.2 392
97 13.3 133
98 0.25 3
99 2.2 22
105 2.9 29
106 1.8 18
107 0.85 9
108 9.2 92
109 26.2 262
110 18.8 188
111 0.55 6
115 2.5 25
119 2.9 29
121 11.4 114
122 0.7 7
123 11.4 114
124 10 100
125 2.5 25
129 0.25 3
131 1.8 18
132 1.8 18
133 2.9 29
135 0.92 9
136 11.1 111
137 6.6 66
138 5.9 59
139 0.18 2
141 2.2 22
146 1.8 18
148 1.8 18
149 0.85 9
150 9.6 96
151 4.4 44
152 2.9 29
154 0.25 3
161 1.8 18
163 3.3 33
164 7.7 77
165 0.18 2
171 1.8 18
173 2.9 29
177 1.8 18
178 0.48 5
182 2.2 22
196 2.2 22
206 1.8 18
210 0.18 2
221 1.8 18
224 1.8 18
262 6.2 62
263 0.66 7
264 2.2 22
294 9.2 92
295 2.5 25
//
