MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001700
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001700
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIBUTYL ESTER
CH$NAME: DIBUTYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H22O4
CH$EXACT_MASS: 278.15181
CH$SMILES: CCCCOC(=O)c(c1)c(ccc1)C(=O)OCCCC
CH$IUPAC: InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
CH$LINK: INCHIKEY
DOIRQSBPFJWKBE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021781
AC$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$SPLASH: splash10-0a6s-0490000000-bb10c8ff49d65e9fbcfd
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
65 0.29 3
67 0.3 3
73 0.11 1
79 1.7 17
91 0.33 3
93 0.41 4
104 0.29 3
105 0.83 8
108 6.99 70
109 0.23 2
121 0.26 3
123 0.25 3
133 0.52 5
149 75.77 758
150 9.86 99
151 2.73 27
163 0.74 7
177 0.15 2
187 0.18 2
189 2.55 26
205 99.99 999
206 12.19 122
207 2.11 21
223 3 30
224 0.42 4
277 0.13 1
279 60.77 608
280 10.72 107
281 1.41 14
//
system version 2.2.8-SNAPSHOT