MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003890
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003890
RECORD_TITLE: DIMETHYL AZELATE; 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$NAME: DIMETHYL AZELATE
CH$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: splash10-0avi-9200000000-3d5a69e0c92a12414c91
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
15 46.3 463
18 3.1 31
26 2.3 23
27 1.89 19
28 11 110
29 23.4 234
30 2.3 23
35 0.24 2
36 2.4 24
39 14.3 143
40 2.9 29
41 5.2 52
42 20.5 205
43 56.3 563
44 2.5 25
45 0.9 9
48 2.8 28
49 1.5 15
53 6.2 62
54 0.36 4
55 99.99 999
56 7.5 75
57 7.1 71
58 0.29 3
59 55.1 551
60 3.3 33
62 2.7 27
63 0.45 5
67 8 80
68 8 80
69 38.1 381
70 0.43 4
71 3.6 36
73 7 70
74 88.1 881
75 0.42 4
78 1.6 16
79 2.6 26
80 3.7 37
81 0.75 8
82 10 100
83 60.4 604
84 26.5 265
85 0.42 4
86 3.3 33
87 31.1 311
88 3.2 32
93 0.29 3
95 3.5 35
96 8.5 85
97 25.2 252
98 1.39 14
100 3 30
101 10 100
106 3 30
109 0.2 2
110 5.5 55
111 41.2 412
112 5 50
113 0.3 3
114 2.6 26
115 3 30
123 2.4 24
124 1.87 19
125 15 150
126 2.2 22
127 2 20
128 0.57 6
129 2.9 29
130 2.1 21
134 2.6 26
135 0.26 3
137 2.6 26
140 2.2 22
141 1.9 19
142 0.24 2
143 29 290
144 3.6 36
151 2.4 24
152 5.61 56
153 7.9 79
156 3 30
157 2 20
184 0.21 2
185 31.9 319
186 3 30
//
system version 2.2.8-SNAPSHOT