MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005892
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005892
RECORD_TITLE: METHYL 10-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$NAME: METHYL 10-UNDECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O2
CH$EXACT_MASS: 198.16198
CH$SMILES: C=CCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
CH$LINK: INCHIKEY
KISVAASFGZJBCY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5046566
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$SPLASH: splash10-00m1-9400000000-2ff1bcc56e21d64920aa
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
15 1.27 13
28 2.11 21
29 2.54 25
41 14.08 141
42 4.79 48
43 20.7 207
45 2.25 23
54 9.72 97
55 74.37 744
56 11.55 116
57 6.34 63
59 12.54 125
66 1.41 14
67 18.03 180
68 29.01 290
69 52.96 530
70 7.61 76
71 7.88 79
72 3.24 32
73 10.14 101
74 20 200
75 21.13 211
76 1.55 16
79 3.38 34
80 5.77 58
81 20.56 206
82 56.9 569
83 57.18 572
84 77.18 772
85 11.27 113
86 1.27 13
87 99.99 999
88 11.69 117
89 1.13 11
93 3.38 34
94 9.44 94
95 14.23 142
96 71.55 716
97 31.55 316
98 49.3 493
99 5.92 59
100 2.11 21
101 14.23 142
102 2.82 28
106 1.97 20
107 4.08 41
108 3.38 34
109 7.89 79
110 20.99 210
111 11.69 117
112 3.52 35
113 7.04 70
114 12.68 127
115 13.66 137
119 4.51 45
120 1.69 17
122 17.61 176
123 24.65 247
124 75.77 758
125 20.85 209
126 2.25 23
127 5.07 51
128 9.44 94
129 5.35 54
130 2.39 24
133 1.97 20
137 14.79 148
138 12.11 121
139 1.97 20
141 5.92 59
142 1.97 20
143 2.82 28
148 11.13 111
149 19.15 192
150 2.54 25
151 1.97 20
155 4.65 47
156 1.69 17
157 1.24 12
166 57.75 578
167 18.87 189
168 2.54 25
169 2.11 21
198 3.38 34
//
system version 2.2.8-SNAPSHOT