MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001708
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001708
RECORD_TITLE: DECANEDIOIC ACID DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: DECANEDIOIC ACID DIMETHYL ESTER
CH$NAME: DIMETHYL SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O4
CH$EXACT_MASS: 230.15181
CH$SMILES: COC(=O)CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY
ALOUNLDAKADEEB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1026740
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-059t-9600000000-17b49b5dff89f090821c
PK$NUM_PEAK: 104
PK$PEAK: m/z int. rel.int.
15 1.15 12
29 1.38 14
41 4.25 43
42 1.47 15
43 33.88 339
44 0.37 4
45 1.42 14
54 0.72 7
55 51.64 516
56 4.26 43
57 5.54 55
59 19.2 192
60 0.4 4
67 5.93 59
68 4.61 46
69 23.96 240
70 4.1 41
71 2.04 20
72 0.37 4
73 6.59 66
74 99.99 999
75 7.56 76
76 0.51 5
79 3.02 30
80 5.46 55
81 9.13 91
82 6.27 63
83 41.22 412
84 73.08 731
85 5.25 53
86 0.39 4
87 31.34 313
88 3.98 40
91 0.28 3
93 1.75 18
94 4.53 45
95 6.98 70
96 12.94 129
97 60.52 605
98 92.78 928
99 8.57 86
100 8.64 86
101 11.41 114
102 1.26 13
104 1.15 12
105 0.6 6
106 1.72 17
107 5.74 57
108 0.78 8
109 2.89 29
110 9.47 95
111 11.28 113
112 8.64 86
113 3.36 34
114 3.03 30
115 11.22 112
116 1.16 12
119 1.27 13
120 3.41 34
121 11.69 117
122 2.67 27
123 2.72 27
124 10.38 104
125 82.91 829
126 7.29 73
127 2.31 23
128 1.2 12
129 1.58 16
130 1.24 12
131 0.42 4
137 2.64 26
138 41.03 410
139 19.72 197
140 2.23 22
141 0.87 9
142 2.05 21
143 0.77 8
144 4.92 49
145 0.43 4
147 0.6 6
148 6.62 66
149 2.39 24
150 0.15 2
151 0.91 9
154 1.69 17
155 1 10
156 2.09 21
157 60 600
158 6.39 64
159 0.45 5
165 1.03 10
166 35.36 354
167 5.29 53
168 0.58 6
169 0.17 2
170 4.07 41
171 1.16 12
172 0.17 2
180 0.9 9
198 3.23 32
199 41.3 413
200 4.92 49
201 0.41 4
231 0.53 5
//
system version 2.2.6-SNAPSHOT