MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005343
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005343
RECORD_TITLE: (Z,Z)-9,12-OCTADECADIENOIC 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$NAME: (Z,Z)-9,12-OCTADECADIENOIC ACID METHYL ESTER
CH$NAME: METHYL LINOLEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H34O2
CH$EXACT_MASS: 294.25588
CH$SMILES: CCCCCC([H])=C([H])CC([H])=C([H])CCCCCCCC(=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: 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: splash10-00lr-9300000000-28976de1cd1206f68813
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
40 2.82 28
41 5.04 50
54 24.93 249
55 29.57 296
57 6.31 63
59 2.22 22
67 80.94 809
68 49.19 492
69 21.85 219
71 4.27 43
74 3.83 38
79 16.92 169
80 17.27 173
81 99.99 999
82 50.83 508
83 23.71 237
85 2.55 26
87 3.27 33
93 7.02 70
94 11.19 112
95 46.77 468
96 30.58 306
97 10 100
98 1.76 18
99 1.4 14
107 9.92 99
108 11.27 113
109 26.24 262
110 20.06 201
111 2.47 25
115 3.04 30
121 4.59 46
122 8.65 87
123 14.61 146
124 7.78 78
125 2.32 23
131 3.87 39
133 3.95 40
134 1.07 11
135 4.82 48
136 8.76 88
138 6.17 62
139 1.19 12
140 1.03 10
141 2.9 29
149 8.93 89
150 12.23 122
151 7.04 70
152 3.82 38
163 1.77 18
164 5.88 59
165 2.84 28
177 2.13 21
178 4.42 44
179 1.36 14
262 7.17 72
263 4.59 46
294 13.06 131
295 1.59 16
//