MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005849
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005849
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-05fu-9100000000-487cec931827f3f1b724
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
15 15.25 153
27 16.71 167
28 5.81 58
29 23.24 232
31 1.94 19
39 20.82 208
40 3.87 39
41 69.73 697
42 13.08 131
43 20.7 207
44 1.21 12
45 4.12 41
51 1.09 11
53 7.51 75
54 13.08 131
55 75.79 758
56 9.08 91
57 4.24 42
59 17.68 177
65 1.45 15
66 1.09 11
67 15.74 157
68 15 150
69 32.81 328
70 4.12 41
71 3.75 38
72 1.45 15
73 6.78 68
74 99.99 999
75 8.96 90
77 1.09 11
79 3.27 33
80 3.15 32
81 13.56 136
82 22.03 220
83 26.15 262
84 26.76 268
85 4.84 48
87 45.28 453
88 5.32 53
93 1.94 19
94 3.63 36
95 6.9 69
96 25.67 257
97 12.23 122
98 16.46 165
99 2.66 27
101 5.81 58
102 1.09 11
107 1.94 19
109 1.09 11
110 3.15 32
111 7.51 75
112 3.87 39
113 1.21 12
114 4.36 44
115 5.08 51
116 1.33 13
119 1.57 16
122 6.05 61
123 8.47 85
124 25.91 259
125 6.78 68
127 1.94 19
128 3.39 34
129 1.69 17
137 5.57 56
138 3.63 36
141 1.94 19
143 1.21 12
148 3.75 38
149 7.63 76
150 1.09 11
155 1.69 17
166 19.37 194
167 7.51 75
198 1.21 12
//
system version 2.2.8-SNAPSHOT