MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001754
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001754
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DIPROPYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIPROPYL ESTER
CH$NAME: DIPROPYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18O4
CH$EXACT_MASS: 250.12051
CH$SMILES: CCCOC(=O)c(c1)c(ccc1)C(=O)OCCC
CH$IUPAC: InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
CH$LINK: INCHIKEY
MQHNKCZKNAJROC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5031133
AC$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$SPLASH: splash10-0udl-0970000000-2677a9e33792d1138de9
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
88 1.06 11
145 5.79 58
147 0.27 3
149 27.05 271
150 2.53 25
151 0.21 2
163 0.58 6
187 0.19 2
189 1.58 16
191 97.44 974
192 14.47 145
193 1.75 18
209 3.29 33
210 0.24 2
249 0.24 2
251 99.99 999
252 18.84 188
253 2.43 24
254 0.19 2
289 0.48 5
291 0.69 7
//
system version 2.2.8-SNAPSHOT