MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005345
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005345
RECORD_TITLE: (Z,Z,Z)-6,9,15-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$NAME: (Z,Z,Z)-6,9,15-OCTADECATRIENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H32O2
CH$EXACT_MASS: 292.24023
CH$SMILES: CCC([H])=C([H])CCCCC([H])=C([H])CC([H])=C([H])CCCCC(=O)OC
CH$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/h4-5,10-11,13-14H,3,6-9,12,15-18H2,1-2H3/b5-4-,11-10-,14-13-
CH$LINK: INCHIKEY
SWFJVJVXGIDQRY-WMWLCQRCSA-N
AC$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: splash10-001l-9400000000-6b020a8af8b992a91da1
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
40 6.38 64
41 29.2 292
43 17.53 175
44 3.74 37
45 2.61 26
52 1.53 15
54 17.03 170
55 28.92 289
57 3.4 34
59 7.53 75
66 8.27 83
67 99.99 999
68 29.42 294
69 30.49 305
71 4.5 45
73 1.07 11
74 9.67 97
77 5.25 53
78 3.54 35
79 56.69 567
80 53.06 531
81 94.3 943
82 63.98 640
83 19.86 199
84 5.72 57
85 5.44 54
86 1.84 18
87 16.91 169
88 2 20
91 11.21 112
92 6.9 69
93 67.86 679
94 54.95 550
95 62.91 629
96 30.21 302
97 7.58 76
98 1.4 14
99 2.7 27
101 1.83 18
105 13.34 133
106 9.87 99
107 31.35 314
108 21.12 211
109 21.7 217
110 24.42 244
111 7.65 77
112 1.53 15
115 1.97 20
117 1.39 14
119 12.64 126
120 8.41 84
121 51.56 516
122 30.29 303
123 14.33 143
124 12.57 126
125 2.12 21
127 1.76 18
129 1.86 19
130 1.19 12
131 1.74 17
133 6.73 67
134 3.79 38
135 31.11 311
136 23.69 237
137 8.64 86
140 1.96 20
145 2.96 30
147 5.92 59
148 1.58 16
149 24.96 250
150 20.36 204
151 1.79 18
153 0.53 5
154 1.76 18
161 5.95 60
163 27.97 280
164 5 50
168 2.64 26
173 1.53 15
175 2.1 21
177 9.52 95
178 8.22 82
192 1.64 16
210 7.36 74
223 1.2 12
235 1.89 19
249 7.8 78
250 2.14 21
263 10.84 108
292 3.06 31
//