MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002186
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002186
RECORD_TITLE: CIS-9-TETRADECENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: CIS-9-TETRADECENOIC ACID METHYL ESTER
CH$NAME: MYRISTOLEIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H28O2
CH$EXACT_MASS: 240.20893
CH$SMILES: CCCCC=CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h6-7H,3-5,8-14H2,1-2H3/b7-6-
CH$LINK: INCHIKEY
RWIPSJUSVXDVPB-SREVYHEPSA-N
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-05us-9300000000-b46b3886901119dc669c
PK$NUM_PEAK: 96
PK$PEAK: m/z int. rel.int.
43 1.7 17
45 3.8 38
53 13 130
54 3.46 35
55 92.2 922
56 21.5 215
59 25.7 257
65 0.45 5
66 2.1 21
67 56.5 565
68 33.5 335
69 9.25 93
70 19.7 197
71 6.3 63
72 1.4 14
73 0.84 8
74 99.99 999
75 12.7 127
77 2.1 21
78 0.28 3
79 12 120
80 8.4 84
81 43.4 434
82 3.6 36
83 60.4 604
84 57.5 575
85 12.3 123
87 7.13 71
88 5.3 53
91 4.5 45
93 7.4 74
94 0.95 10
95 30 300
96 59 590
97 49.4 494
98 5.3 53
99 7 70
100 2.4 24
101 10.2 102
105 0.28 3
107 6 60
108 5.6 56
109 20.4 204
110 3.07 31
111 27.9 279
112 10.6 106
113 9.5 95
114 0.6 6
115 8.4 84
119 6.3 63
121 7.7 77
122 0.24 2
123 20.4 204
124 26.8 268
125 14.4 144
126 0.45 5
127 4.9 49
128 6 60
129 4.5 45
133 0.45 5
134 2.8 28
135 5.3 53
136 1.4 14
137 1.41 14
138 9.8 98
139 4.5 45
141 6.3 63
143 0.31 3
144 1.7 17
147 5.3 53
148 4.2 42
149 0.14 1
151 7.4 74
152 6 60
153 1.4 14
154 0.14 1
157 1.4 14
161 3.1 31
164 9.5 95
165 0.67 7
166 29.3 293
167 5.3 53
170 1.4 14
172 0.14 1
179 2.8 28
180 3.1 31
190 5.6 56
191 0.21 2
194 1.4 14
197 2.4 24
208 25.7 257
209 1.73 17
210 2.8 28
222 1.4 14
240 7 70
241 1.7 17
//