MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001722
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001722
RECORD_TITLE: NONANEDIOIC ACID DIMETHYL ESTER; CI-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$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-00kr-1940000000-f8843790d7de0c022d8e
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
65 0.11 1
67 0.46 5
68 0.65 7
69 2.18 22
70 0.24 2
71 0.48 5
72 0.13 1
74 4.19 42
75 0.86 9
77 0.17 2
79 0.18 2
80 0.4 4
81 1.09 11
82 0.91 9
83 4.64 46
84 3.33 33
85 0.25 3
87 1.76 18
88 0.25 3
91 0.12 1
93 0.48 5
95 0.79 8
96 0.74 7
97 2.81 28
98 1.23 12
99 0.28 3
101 0.96 10
105 0.2 2
107 0.66 7
109 0.28 3
110 0.41 4
111 2.67 27
112 0.23 2
113 0.25 3
114 0.12 1
115 0.43 4
123 1.82 18
124 2.14 21
125 3.71 37
126 0.9 9
127 0.31 3
128 0.47 5
129 0.19 2
130 0.23 2
133 0.31 3
134 0.18 2
135 0.62 6
137 0.19 2
141 0.22 2
142 0.22 2
143 4.16 42
144 0.36 4
151 12.08 121
152 6.52 65
153 2.72 27
154 0.27 3
155 0.8 8
156 0.88 9
157 13.67 137
159 1.24 12
160 0.2 2
167 0.18 2
171 0.1 1
183 7.88 79
184 3.14 31
185 99.99 999
186 29.44 294
187 4.49 45
188 0.38 4
203 0.11 1
215 0.77 8
217 71.83 718
218 24.42 244
219 2.65 27
220 0.23 2
231 0.36 4
243 0.48 5
245 0.14 1
255 0.85 9
256 0.12 1
257 2.15 22
258 0.33 3
//