MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005352
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005352
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 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00ls-9300000000-ffa3df152af9efef123b
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
41 14.48 145
42 1.64 16
43 10.06 101
44 2.38 24
54 16.18 162
55 29.58 296
56 3.1 31
57 5.3 53
59 2.5 25
66 4.14 41
67 67.91 679
69 34.48 345
70 1.06 11
73 1.61 16
74 8.37 84
79 4.13 41
80 11.24 112
81 64.45 645
82 99.99 999
83 23.21 232
84 1.26 13
85 1.52 15
87 7.18 72
93 4.26 43
94 6.81 68
95 57.54 575
96 43.52 435
97 13.58 136
98 1.13 11
99 2.22 22
101 2 20
105 1.32 13
107 3.87 39
108 4.3 43
109 24.7 247
110 36.77 368
111 10.9 109
115 1.36 14
119 1.46 15
121 9.17 92
122 4.68 47
123 19.15 192
124 16.39 164
125 7.75 78
129 2.66 27
133 1.2 12
135 5.49 55
136 5.17 52
137 9.3 93
138 6.72 67
139 1.75 18
143 3.22 32
149 2.74 27
150 4.04 40
151 2.18 22
157 4.37 44
163 1.88 19
164 1.46 15
178 3.24 32
205 2.62 26
220 1.12 11
238 3.22 32
251 1.02 10
252 1.96 20
263 4.49 45
294 6.99 70
295 1.15 12
//
system version 2.2.6-SNAPSHOT