MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005850
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005850
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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0596-9200000000-7d52ab8a4c2980e32503
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
15 35.33 353
26 1.24 12
27 33.21 332
28 7.96 80
29 46.28 463
30 1.12 11
31 1.49 15
39 31.85 319
40 5.47 55
41 99.99 999
42 20.15 202
43 82.85 829
44 2.99 30
45 2.74 27
51 2.49 25
52 2.24 22
53 18.91 189
54 59.71 597
55 92.55 926
56 28.36 284
57 19.66 197
58 1.49 15
59 49.51 495
60 1.24 12
65 3.36 34
66 2.99 30
67 33.09 331
68 29.11 291
69 53.74 537
70 11.44 114
71 27.87 279
72 9.95 100
73 7.46 75
74 93.3 933
75 9.95 100
76 1 10
77 2.74 27
79 5.22 52
80 3.61 36
81 24.13 241
82 30.85 309
83 40.31 403
84 45.28 453
85 20.15 202
86 2.24 22
87 25.38 254
88 3.48 35
91 1.24 12
93 1.74 17
94 3.48 35
95 15.92 159
96 43.29 433
97 15.67 157
98 19.16 192
99 4.48 45
100 2.24 22
101 12.19 122
102 1.74 17
108 1.24 12
109 6.47 65
110 10.45 105
111 4.48 45
112 1.49 15
113 9.45 95
114 21.15 212
115 11.94 119
116 1.74 17
119 2.36 24
122 6.97 70
123 12.44 124
124 61.7 617
125 12.94 129
126 1.12 11
127 5.47 55
128 6.1 61
129 2.36 24
130 1 10
137 6.97 70
138 6.72 67
139 3.98 40
141 2.98 30
142 1.12 11
143 1 10
148 4.23 42
151 1 10
155 2.36 24
166 28.36 284
167 6.72 67
169 1 10
198 12.44 124
199 1.99 20
//