MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005346
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005346
RECORD_TITLE: (Z,Z,Z)-6,12,15-OCTADECATRIENOIC 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$NAME: (Z,Z,Z)-6,12,15-OCTADECATRIENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H32O2
CH$EXACT_MASS: 292.24023
CH$SMILES: CCC([H])=C([H])CC([H])=C([H])CCCCC([H])=C([H])CCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,13-14H,3,6,9-12,15-18H2,1-2H3/b5-4-,8-7-,14-13-
CH$LINK: INCHIKEY
NTHHALPEFAAFAP-RBIKCNJLSA-N
AC$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: splash10-00lr-9400000000-6a1c37309ee183201b7a
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
40 3.66 37
41 20.75 208
43 6.64 66
44 1.71 17
45 3.08 31
53 3.64 36
54 13.57 136
55 28.7 287
59 8.59 86
65 1.29 13
66 4.01 40
67 99.99 999
68 32.92 329
69 22.79 228
70 4.72 47
71 4.03 40
73 4 40
74 13.64 136
75 1.26 13
77 1.2 12
78 7.53 75
79 58.92 589
80 44.83 448
81 75.97 760
82 51.51 515
83 16.4 164
84 3.48 35
85 4.97 50
87 12.73 127
91 13.18 132
93 37.75 378
94 48.19 482
95 66.2 662
96 31.84 318
97 11.26 113
101 2.48 25
105 6.13 61
106 9.28 93
107 39.33 393
108 19.67 197
109 24.11 241
110 7.3 73
111 5.67 57
115 3.83 38
116 3.08 31
119 7.16 72
120 6.45 65
121 43.66 437
122 21.41 214
123 10.42 104
124 3.06 31
129 4.61 46
130 1.74 17
131 3.23 32
133 8.07 81
134 5.46 55
135 24.43 244
136 19.79 198
137 6.41 64
139 1.23 12
147 11.39 114
149 19.27 193
150 8.24 82
159 1.97 20
161 4.82 48
162 4.63 46
163 20.02 200
164 11.35 114
165 4.41 44
175 1.46 15
177 19.09 191
178 12.38 124
189 1.45 15
191 6.46 65
195 3.34 33
203 1.05 11
206 1.27 13
207 1.46 15
210 7.13 71
221 3.95 40
235 7.27 73
237 0.68 7
243 2.34 23
249 9.55 96
292 2.35 24
//