MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003321
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003321
RECORD_TITLE: METHYL 9-OCTADECENOATE; 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$NAME: METHYL 9-OCTADECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H36O2
CH$EXACT_MASS: 296.27153
CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+
CH$LINK: INCHIKEY
QYDYPVFESGNLHU-ZHACJKMWSA-N
CH$LINK: COMPTOX
DTXSID40883778
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0fl9-9100000000-d219c988b5e92fcbfa53
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
43 49.5 495
45 2.9 29
53 17.3 173
54 94.3 943
55 16.9 169
56 26.2 262
58 11.5 115
65 0.23 2
66 2.2 22
67 31.4 314
68 17.9 179
69 4.78 48
70 11.6 116
71 8.7 87
73 4.4 44
74 99.99 999
75 14.1 141
77 2.6 26
79 8.8 88
80 0.56 6
81 26.6 266
82 17.8 178
83 33.5 335
84 2.4 24
85 6.3 63
87 50.9 509
88 4.9 49
91 0.51 5
92 2.2 22
93 4.9 49
94 5.3 53
95 1.88 19
96 22 220
97 24.7 247
98 22 220
99 0.3 3
101 7.1 71
105 2.3 23
107 3.6 36
108 0.32 3
109 9.9 99
110 11.6 116
111 12.2 122
114 0.25 3
115 5.3 53
119 2.3 23
120 4 40
123 0.82 8
124 6.3 63
125 6.4 64
128 2.8 28
129 0.63 6
133 2.3 23
135 4.2 42
137 5.3 53
138 0.47 5
139 4.2 42
141 3.7 37
143 9.8 98
151 0.39 4
152 5 50
153 2.5 25
157 2.2 22
165 0.22 2
166 3.9 39
171 2.5 25
180 5.7 57
185 0.25 3
194 2.8 28
199 3.3 33
220 2.2 22
221 0.21 2
222 7.1 71
227 2.5 25
236 3.3 33
242 0.28 3
264 20.5 205
265 9.5 95
270 5.1 51
294 0.36 4
296 5.6 56
297 2.8 28
//