MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002922
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002922
RECORD_TITLE: DIMETHYL DODECANEDIOATE; 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$NAME: DIMETHYL DODECANEDIOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H26O4
CH$EXACT_MASS: 258.18311
CH$SMILES: COC(=O)CCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C14H26O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY
IZMOTZDBVPMOFE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0074390
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: splash10-0avm-9200000000-198338cc0ecb35293cea
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
15 41.91 419
27 13.17 132
28 7.23 72
29 25.87 259
31 3.28 33
39 10.96 110
40 2.73 27
41 61.17 612
42 15.49 155
43 69.61 696
44 3.08 31
45 6.22 62
53 4.8 48
54 5.86 59
55 92.78 928
56 9.42 94
57 17.46 175
59 48.27 483
67 11.91 119
68 7.45 75
69 63.45 635
70 9.25 93
71 4.71 47
73 8.56 86
74 99.99 999
75 6.83 68
79 4.59 46
80 3.96 40
81 13.47 135
82 6.31 63
83 40.29 403
84 68.41 684
85 4.42 44
87 37.26 373
88 4.37 44
93 5.2 52
94 3.5 35
95 8.27 83
96 8.66 87
97 26.03 260
98 96.14 961
99 5.32 53
101 6.59 66
107 3.76 38
108 3.07 31
109 6.17 62
110 5.02 50
111 18.34 183
112 36.77 368
113 4.26 43
115 5.3 53
119 4.76 48
122 2.13 21
123 4.49 45
124 3.95 40
125 8.24 82
126 7.14 71
127 7.32 73
129 3.89 39
130 2.08 21
134 3.1 31
135 14.63 146
136 2.24 22
137 2.23 22
138 4.34 43
139 2.92 29
142 2.72 27
143 5.07 51
147 2.09 21
148 2.45 25
149 5.7 57
150 2.3 23
151 2.35 24
152 8.35 84
153 35.25 353
154 4.06 41
166 8.64 86
167 5.36 54
170 2.89 29
172 2.34 23
184 2.22 22
185 40.99 410
186 4.42 44
194 7.04 70
195 2.31 23
227 31.67 317
228 4.47 45
//
system version 2.2.6-SNAPSHOT