MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005891
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005891
RECORD_TITLE: METHYL 3-UNDECENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 3-UNDECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O2
CH$EXACT_MASS: 198.16198
CH$SMILES: CCCCCCCC=CCC(=O)OC
CH$IUPAC: InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h9-10H,3-8,11H2,1-2H3/b10-9+
CH$LINK: INCHIKEY
UXEZTQUHDSYCQP-MDZDMXLPSA-N
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-00e9-9400000000-d4e4550e52bd90139f69
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
15 1.61 16
28 1.61 16
29 3.61 36
41 12.05 121
42 9.24 92
43 41.77 418
44 1.61 16
54 24.5 245
55 49.8 498
56 22.09 221
57 15.66 157
58 1.2 12
59 21.28 213
66 1.2 12
67 12.85 129
68 28.11 281
69 50.6 506
70 11.65 117
71 16.47 165
72 9.64 96
73 7.23 72
74 99.99 999
75 11.65 117
76 1.2 12
79 2.01 20
80 2.81 28
81 18.07 181
82 40.56 406
83 41.36 414
84 61.85 619
85 18.07 181
86 1.61 16
87 30.32 303
88 4.82 48
93 1.2 12
94 4.82 48
95 14.86 149
96 56.63 566
97 19.28 193
98 27.31 273
99 5.77 58
100 2.81 28
101 16.06 161
102 2.81 28
108 1.61 16
109 7.63 76
110 14.66 147
111 5.62 56
112 2.21 22
113 10.44 104
114 28.51 285
115 18.47 185
116 2.81 28
119 3.61 36
122 9.64 96
123 16.87 169
124 85.94 859
125 19.28 193
126 1.61 16
127 6.83 68
128 8.84 88
129 3.21 32
130 1.61 16
137 9.44 94
138 8.63 86
139 5.22 52
141 4.42 44
142 1.61 16
148 6.83 68
149 1.2 12
151 1.2 12
165 3.21 32
176 43.77 438
177 9.64 96
178 1.2 12
179 1.81 18
198 18.27 183
199 3.21 32
//
system version 2.2.8-SNAPSHOT