MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003303
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003303
RECORD_TITLE: DIMETHYL 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$NAME: DIMETHYL PHTHALATE
CH$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$INSTRUMENT: JEOL JMS-01-SG-2
AC$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$SPLASH: splash10-03di-4900000000-bf5f1bff942c9a67e0dc
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
50 9.6 96
51 4.2 42
52 1.2 12
58 2.3 23
62 2.1 21
63 2.5 25
65 1.3 13
66 0.9 9
74 4 40
75 3.1 31
76 10.2 102
77 15.6 156
78 1.6 16
79 1.3 13
91 1.2 12
92 8 80
93 1 10
104 4.4 44
105 2.7 27
119 0.9 9
120 2.1 21
133 4.2 42
135 5.8 58
136 0.9 9
149 0.9 9
163 99.99 999
164 9.1 91
165 1.3 13
194 13.1 131
195 1.6 16
//
system version 2.2.6-SNAPSHOT