MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001741
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001741
RECORD_TITLE: OCTANEDIOIC 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$NAME: OCTANEDIOIC ACID DIHEXYL ESTER
CH$NAME: DIHEXYL SUBERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H38O4
CH$EXACT_MASS: 342.27701
CH$SMILES: CCCCCCOC(=O)CCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C20H38O4/c1-3-5-7-13-17-23-19(21)15-11-9-10-12-16-20(22)24-18-14-8-6-4-2/h3-18H2,1-2H3
CH$LINK: INCHIKEY
SZHOZZSBXPUVHJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50335293
AC$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$SPLASH: splash10-052f-5940000000-73bbd707f7d1c555c7b8
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
42 7.59 76
43 33.65 337
56 19.37 194
57 7.4 74
69 13.11 131
70 2.64 26
71 1.39 14
73 4.19 42
82 3.72 37
83 10.78 108
84 21.4 214
85 11.37 114
87 4.24 42
97 15.81 158
98 2.04 20
101 1.88 19
110 3.53 35
111 15.06 151
112 3.32 33
115 44.85 449
116 1.57 16
128 2.31 23
129 17.98 180
130 4.58 46
138 24.95 250
139 15.35 154
140 1.71 17
141 0.26 3
156 2.49 25
157 78.01 780
158 7.29 73
199 17.88 179
200 1.84 18
213 3.49 35
214 3.71 37
240 1.92 19
241 99.99 999
242 15.6 156
259 2.52 25
//