MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005813
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005813
RECORD_TITLE: DIALLYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: DIALLYL PHTHALATE
CH$NAME: PHTHALIC ACID DIALLYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H14O4
CH$EXACT_MASS: 246.08921
CH$SMILES: C=CCOC(=O)c(c1)c(ccc1)C(=O)OCC=C
CH$IUPAC: InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
CH$LINK: INCHIKEY
QUDWYFHPNIMBFC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7020392
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-2900000000-3e19a260b13b6088b5c9
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
41 36.83 368
42 1.34 13
43 1.67 17
57 1 10
69 1.52 15
70 1.07 11
80 3.21 32
83 2.86 29
98 20.92 209
99 1.4 14
105 3.37 34
117 2.38 24
118 1.11 11
121 2.14 21
132 30 300
133 3.23 32
145 1 10
146 1.44 14
147 1.6 16
149 99.99 999
150 8.92 89
161 1.77 18
162 2.07 21
172 7.76 78
173 1.14 11
188 15.88 159
189 40.64 406
190 6.26 63
246 0.19 2
//