MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001764
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001764
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DECYL METHYLESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID DECYL METHYLESTER
CH$NAME: METHYLDECYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H28O4
CH$EXACT_MASS: 320.19876
CH$SMILES: CCCCCCCCCCOC(=O)c(c1)c(ccc1)C(=O)OC
CH$IUPAC: InChI=1S/C19H28O4/c1-3-4-5-6-7-8-9-12-15-23-19(21)17-14-11-10-13-16(17)18(20)22-2/h10-11,13-14H,3-9,12,15H2,1-2H3
CH$LINK: INCHIKEY
OXRWHMFJAPZSRT-UHFFFAOYSA-N
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: splash10-03ka-1903000000-1729095167ab4ec92339
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
61 0.1 1
63 0.2 2
65 0.29 3
66 0.3 3
67 0.87 9
68 0.42 4
69 2.34 23
70 1.02 10
71 4.53 45
72 0.23 2
77 0.11 1
78 0.38 4
79 0.77 8
81 0.11 1
82 1.2 12
83 5.2 52
84 0.67 7
85 4.38 44
86 0.45 5
91 0.33 3
92 0.72 7
97 1.74 17
98 0.38 4
99 1.48 15
104 0.3 3
105 1.4 14
107 0.31 3
109 0.2 2
111 0.6 6
112 0.25 3
113 0.46 5
121 0.44 4
123 1.15 12
127 0.16 2
133 1.9 19
135 1.87 19
136 0.51 5
137 1.68 17
139 0.62 6
140 1.21 12
141 3.18 32
142 0.33 3
145 0.18 2
147 0.78 8
149 58.5 585
150 5.24 52
151 1.1 11
157 0.46 5
161 0.29 3
163 99.99 999
164 11.89 119
165 4.1 41
166 0.29 3
175 0.31 3
177 0.49 5
179 0.11 1
181 7.11 71
182 0.63 6
189 1.11 11
191 0.22 2
195 0.28 3
205 0.13 1
221 0.59 6
223 0.16 2
261 0.36 4
263 0.31 3
289 6.24 62
290 1.16 12
291 0.5 5
293 0.78 8
319 0.56 6
321 65.55 656
322 13.59 136
323 1.93 19
324 0.16 2
361 0.24 2
//
system version 2.2.8-SNAPSHOT