MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001770
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001770
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID BENZYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID BENZYL METHYLESTER
CH$NAME: METHYLBENZYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H14O4
CH$EXACT_MASS: 270.08921
CH$SMILES: COC(=O)c(c2)c(ccc2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H14O4/c1-19-15(17)13-9-5-6-10-14(13)16(18)20-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
CH$LINK: INCHIKEY
AKKMBTJVARDPMB-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: splash10-03dl-4940000000-cec67e46a6034e34d550
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
69 1.03 10
71 2.11 21
81 2.48 25
91 60.15 602
92 4.13 41
131 1.23 12
133 1.73 17
149 10.07 101
163 99.99 999
164 20.03 200
165 1.42 14
181 3.12 31
239 2.17 22
271 58.41 584
272 9.82 98
273 0.56 6
//