MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001747
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001747
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID BENZYL BUTYLESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID BENZYL BUTYLESTER
CH$NAME: BUTYLBENZYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H20O4
CH$EXACT_MASS: 312.13616
CH$SMILES: CCCCOC(=O)c(c2)c(ccc2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
CH$LINK: INCHIKEY
IRIAEXORFWYRCZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3020205
AC$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$SPLASH: splash10-052e-4920000000-89027a8d7d37be6301e0
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
4 8.83 88
29 5.17 52
41 6.15 62
55 2.56 26
56 7.82 78
57 7.97 80
58 0.27 3
65 3.28 33
73 2.31 23
76 0.59 6
77 1.8 18
78 0.35 4
79 2.72 27
89 0.4 4
90 1.05 11
91 75.3 753
92 6.98 70
93 1.61 16
104 13.63 136
105 14.44 144
106 2.69 27
107 8.44 84
108 2.18 22
109 0.11 1
118 0.18 2
121 2.35 24
122 11.57 116
123 19.31 193
124 1.35 14
131 0.34 3
132 22.01 220
133 3.61 36
134 0.39 4
135 9.47 95
136 2.73 27
137 0.24 2
148 0.3 3
149 99.99 999
150 16.14 161
151 1.81 18
152 0.22 2
154 0.63 6
164 0.25 3
165 0.93 9
166 0.45 5
167 0.28 3
177 1.17 12
178 7.34 73
179 0.71 7
181 0.13 1
193 0.25 3
194 0.97 10
195 0.16 2
205 6.48 65
206 37.33 373
207 4.88 49
208 0.5 5
211 0.54 5
238 4.3 43
239 0.99 10
312 1.31 13
313 0.73 7
//
system version 2.2.8-SNAPSHOT