MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005356
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005356
RECORD_TITLE: (Z,Z)-9,15-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$NAME: (Z,Z)-9,15-OCTADECADIENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H34O2
CH$EXACT_MASS: 294.25588
CH$SMILES: CCC([H])=C([H])CCCCC([H])=C([H])CCCCCCCC(=O)OC
CH$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/h4-5,10-11H,3,6-9,12-18H2,1-2H3/b5-4-,11-10-
CH$LINK: INCHIKEY
OTROKOXHZSGHEN-NKIGAPEHSA-N
AC$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: splash10-015c-9100000000-be34042db473516c40f2
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
40 3.31 33
41 90.23 902
42 11.27 113
43 18.8 188
45 5.41 54
51 1.69 17
52 1.08 11
53 12.75 128
54 30.38 304
55 80.75 808
56 5.94 59
57 6.03 60
59 21.22 212
60 1.04 10
65 4.24 42
66 6.93 69
67 99.99 999
68 33.29 333
69 47.12 471
70 3.46 35
71 2 20
73 4.47 45
74 14.92 149
77 4.01 40
79 16.3 163
80 11.19 112
81 69.65 697
82 78.58 786
83 20.74 207
84 3.19 32
87 10.24 102
91 2.34 23
93 6.54 65
94 6.02 60
95 45.44 454
96 38.19 382
97 9.07 91
98 3.36 34
101 2.64 26
105 1.15 12
107 5.37 54
108 4.07 41
109 21.29 213
110 26.79 268
111 8.47 85
115 2.64 26
121 6.77 68
122 3.56 36
123 15.64 156
124 14.01 140
125 4.97 50
127 1.91 19
129 2.59 26
135 4.73 47
136 3.86 39
137 8.21 82
138 3.96 40
139 2.05 21
149 2.36 24
150 4.44 44
151 3.08 31
152 1.08 11
157 2.94 29
163 2.48 25
164 2.55 26
178 2.66 27
179 1.08 11
192 1.59 16
206 2.11 21
238 1.4 14
251 1.76 18
252 1.2 12
263 4.78 48
294 4.66 47
295 2.1 21
//
system version 2.2.8-SNAPSHOT