MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003318
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003318
RECORD_TITLE: DIMETHOXYETHYL 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$NAME: DIMETHOXYETHYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18O6
CH$EXACT_MASS: 282.11034
CH$SMILES: COCCOC(=O)c(c1)c(ccc1)C(=O)OCCOC
CH$IUPAC: InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3
CH$LINK: INCHIKEY
HSUIVCLOAAJSRE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8025094
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$SPLASH: splash10-0a4i-9100000000-0d8e9c45dc7248bd712d
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
45 10.3 103
50 2.7 27
57 82.4 824
58 99.99 999
59 3.8 38
65 2.1 21
75 2.3 23
76 0.61 6
77 3 30
93 1.4 14
104 7.4 74
105 0.19 2
132 1.9 19
133 1.4 14
149 16.6 166
150 0.2 2
163 4.5 45
167 2.9 29
176 3.5 35
193 0.17 2
194 1.6 16
206 2.9 29
207 9.2 92
208 0.13 1
224 1.9 19
225 2.1 21
252 1.6 16
//
system version 2.2.6-SNAPSHOT