MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008513
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008513
RECORD_TITLE: DIALLYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: DIALLYL PHTHALATE
CH$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$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9400000000-d4992c723061604dda77
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
27 2.86 29
29 2.3 23
39 16.61 166
41 99.99 999
42 3.84 38
43 1.29 13
50 5.98 60
51 1.63 16
57 1.13 11
65 4.84 48
74 1.16 12
75 1.48 15
76 10.91 109
77 2.93 29
93 2.36 24
98 6.29 63
104 11.21 112
105 2.88 29
115 1.1 11
121 1.76 18
132 9.12 91
149 37.82 378
150 3.33 33
172 1.69 17
188 4.4 44
189 12.13 121
190 1.42 14
//
system version 2.2.6-SNAPSHOT