MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003316
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003316
RECORD_TITLE: DIPHENYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: DIPHENYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H14O4
CH$EXACT_MASS: 318.08921
CH$SMILES: c(c3)ccc(c3)OC(=O)c(c2)c(ccc2)C(=O)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C20H14O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h1-14H
CH$LINK: INCHIKEY
DWNAQMUDCDVSLT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3021778
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-2190000000-41c1940cbd92696316a3
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
50 2.3 23
51 2.7 27
65 2.7 27
76 5.4 54
77 16.5 165
78 1.4 14
104 3.6 36
105 2.6 26
115 1.6 16
152 1.3 13
153 4 40
197 0.14 1
225 99.99 999
226 13.1 131
227 1.4 14
//