MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001746
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001746
RECORD_TITLE: DECANEDIOIC ACID DIHEXYL 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$NAME: DECANEDIOIC ACID DIHEXYL ESTER
CH$NAME: DIHEXYL SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H42O4
CH$EXACT_MASS: 370.30831
CH$SMILES: CCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C22H42O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-10-12-14-18-22(24)26-20-16-8-6-4-2/h3-20H2,1-2H3
CH$LINK: INCHIKEY
GQIDSVPVVYHXAP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10179251
AC$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$SPLASH: splash10-014u-6940000000-331754460fb46c172616
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
42 7.73 77
43 39.57 396
56 23.27 233
57 7.15 72
61 8.71 87
67 1.51 15
69 10.13 101
70 2.54 25
71 1.71 17
73 4.52 45
81 3.11 31
82 4.98 50
83 8.71 87
84 37.66 377
85 15.83 158
87 2.96 30
95 1.94 19
96 3.24 32
97 12.28 123
98 30.79 308
99 1.97 20
101 6.9 69
109 1 10
110 1.94 19
111 6.04 60
112 3.75 38
115 5 50
121 4.98 50
123 0.86 9
124 5 50
125 24.01 240
126 4.28 43
127 4.33 43
128 1.33 13
129 9.79 98
130 2.46 25
131 0.86 9
137 1.24 12
138 13.59 136
139 14.81 148
140 1.62 16
141 0.41 4
142 1.26 13
143 33.35 334
144 5.04 50
145 0.83 8
148 2.44 24
149 3.3 33
152 2.66 27
153 0.65 7
157 9.09 91
158 3.27 33
159 1.18 12
165 0.51 5
166 18.65 187
167 5.65 57
168 0.52 5
169 0.56 6
171 5.15 52
185 99.99 999
186 11.64 116
187 0.78 8
213 2.72 27
214 2.58 26
226 1.08 11
227 24.17 242
228 3.93 39
240 3.64 36
241 4.1 41
242 5.56 56
255 4.72 47
256 0.58 6
268 1.75 18
269 82.31 823
270 15.2 152
271 1.52 15
287 3.06 31
//