MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001711
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001711
RECORD_TITLE: DECANEDIOIC ACID DIBUTYL 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$NAME: DECANEDIOIC ACID DIBUTYL ESTER
CH$NAME: DIBUTYL SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H34O4
CH$EXACT_MASS: 314.24571
CH$SMILES: CCCCOC(=O)CCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
CH$LINK: COMPTOX
DTXSID1041847
CH$LINK: INCHIKEY
PYGXAGIECVVIOZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7986
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: splash10-014l-0269000000-ea80f1079920fdbba712
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
61 0.7 7
67 0.15 2
68 0.24 2
69 0.45 5
70 0.24 2
73 0.67 7
80 0.4 4
81 0.5 5
83 0.64 6
84 0.62 6
87 0.16 2
93 0.21 2
95 0.37 4
97 1.27 13
98 1.4 14
99 0.19 2
101 0.47 5
109 0.13 1
111 0.41 4
121 0.7 7
125 1.1 11
129 0.18 2
137 0.33 3
138 0.74 7
139 1.76 18
140 0.15 2
142 4.51 45
149 0.16 2
157 0.83 8
159 0.23 2
165 1.07 11
166 0.8 8
167 0.76 8
169 0.31 3
183 1.9 19
185 19.73 197
186 1.65 17
187 0.18 2
199 1.39 14
200 0.14 1
211 0.1 1
212 0.16 2
213 0.6 6
214 0.28 3
215 0.49 5
223 0.19 2
225 2.49 25
226 0.25 3
227 0.13 1
238 0.21 2
239 1.82 18
241 80.67 807
242 14.61 146
243 2 20
244 0.13 1
257 0.23 2
259 1.36 14
260 0.15 2
299 0.79 8
313 1.56 16
315 99.99 999
316 31.26 313
317 4.27 43
318 0.53 5
352 0.1 1
354 0.35 4
//
system version 2.2.6-SNAPSHOT