MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001721
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001721
RECORD_TITLE: NONANEDIOIC 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$NAME: NONANEDIOIC ACID DIMETHYL ESTER
CH$NAME: DIMETHYL AZELATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20O4
CH$EXACT_MASS: 216.13616
CH$SMILES: COC(=O)CCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY
DRUKNYVQGHETPO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1044807
AC$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$SPLASH: splash10-0h3r-9700000000-efb4b38b27fa69fcc467
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
4 2.49 25
15 2.35 24
29 2.08 21
31 0.54 5
41 5.57 56
42 1.97 20
43 29.95 300
44 1.16 12
45 2.37 24
54 0.98 10
55 57.03 570
56 4.41 44
57 5.38 54
59 22.74 227
60 0.44 4
62 1.28 13
67 4.39 44
68 8.52 85
69 32.85 329
70 3.45 35
71 1.03 10
72 0.47 5
73 5.79 58
74 93.44 934
75 6.23 62
76 0.34 3
79 1.53 15
80 4.27 43
81 7.18 72
82 14.27 143
83 82.87 829
84 49.9 499
85 4.03 40
86 6.6 66
87 31.45 315
88 4.99 50
91 0.24 2
92 1.3 13
93 2.57 26
94 0.24 2
95 3.89 39
96 14.5 145
97 31.92 319
98 25.52 255
99 4.18 42
100 5.53 55
102 1.45 15
105 0.24 2
106 1.14 11
107 4.61 46
108 1.37 14
109 2.24 22
110 10.42 104
111 80.19 802
112 6.6 66
113 3.12 31
114 2.67 27
115 4.57 46
116 1.13 11
123 2.53 25
124 34.87 349
125 25.78 258
126 3.39 34
127 1.68 17
128 8.5 85
129 2.36 24
130 6.03 60
131 0.36 4
133 0.22 2
134 2.5 25
135 3.02 30
136 0.24 2
137 3.74 37
138 0.29 3
140 2.32 23
141 3.11 31
142 3.32 33
143 59.5 595
144 5.61 56
145 0.44 4
151 1.99 20
152 99.99 999
153 13.99 140
154 1.65 17
155 0.21 2
156 8.61 86
157 1.88 19
158 0.44 4
166 0.25 3
184 6.4 64
185 51.13 511
186 6.63 66
187 0.59 6
217 1.52 15
//
system version 2.2.8-SNAPSHOT