MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001714
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001714
RECORD_TITLE: HEXANEDIOIC ACID DIBUTYL 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$NAME: HEXANEDIOIC ACID DIBUTYL ESTER
CH$NAME: DIBUTYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H26O4
CH$EXACT_MASS: 258.18311
CH$SMILES: CCCCOC(=O)CCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY
XTJFFFGAUHQWII-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021866
AC$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$SPLASH: splash10-0kbr-5900000000-f9d54bdf9e6a6d0e382c
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
27 0.45 5
29 7.9 79
41 12.52 125
42 0.54 5
43 7.02 70
44 0.27 3
45 0.67 7
52 1.31 13
54 1.75 18
55 11.97 120
56 52.69 527
57 27.98 280
58 2.42 24
59 3.34 33
60 9.33 93
61 4.38 44
64 0.41 4
67 0.15 2
68 2.25 23
69 2.72 27
70 0.42 4
71 0.3 3
73 9.89 99
74 1.45 15
75 0.38 4
79 0.22 2
82 1.76 18
83 14.46 145
84 5.9 59
85 1.41 14
86 1.04 10
87 50.84 508
88 2.3 23
90 10.9 109
95 8.17 82
96 0.6 6
97 0.45 5
98 1.34 13
99 1.66 17
100 35.48 355
101 36.54 365
102 6.71 67
103 2.29 23
109 0.49 5
110 3.75 38
111 54.59 546
112 10 100
113 1.03 10
114 0.24 2
116 1.25 13
117 0.4 4
124 0.2 2
126 0.27 3
127 1.37 14
128 5.54 55
129 99.99 999
130 10.25 103
131 1.9 19
132 1.84 18
141 0.34 3
142 0.92 9
143 34.95 350
144 3.44 34
145 0.59 6
147 0.3 3
155 0.4 4
156 41.26 413
157 4.8 48
158 4.27 43
159 0.48 5
169 0.97 10
183 0.33 3
184 3.45 35
185 82.57 826
186 14.87 149
187 1.77 18
202 0.11 1
203 1.83 18
204 0.19 2
229 0.5 5
258 0.78 8
259 7.23 72
260 1.11 11
//