MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003792
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003792
RECORD_TITLE: DIMETHYL PHTHALATE; 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$NAME: DIMETHYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10O4
CH$EXACT_MASS: 194.05791
CH$SMILES: COC(=O)c(c1)c(ccc1)C(=O)OC
CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
CH$LINK: INCHIKEY
NIQCNGHVCWTJSM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3022455
AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-03dj-0900000000-a563da8e92c894b54d40
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
63 0.33 3
64 0.29 3
65 0.26 3
66 0.2 2
74 0.4 4
75 0.35 4
76 0.81 8
77 1.01 10
78 0.22 2
79 0.34 3
91 0.59 6
92 1.96 20
93 0.17 2
104 0.74 7
105 1.57 16
106 0.15 2
107 0.2 2
119 0.44 4
120 0.39 4
129 0.15 2
130 0.18 2
131 0.21 2
132 0.14 1
133 1.03 10
134 0.11 1
135 2.26 23
136 9.03 90
143 0.19 2
145 0.2 2
149 0.15 2
151 0.52 5
157 0.1 1
159 0.99 10
163 99.99 999
164 28.61 286
165 3.5 35
166 0.28 3
179 0.12 1
189 0.36 4
191 2.37 24
192 0.33 3
193 0.37 4
194 4.41 44
195 58.63 586
196 11.43 114
197 1.56 16
//