MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001323
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001323
RECORD_TITLE: PHTHALIC ACID DIMETHYL ESTER (D6); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PHTHALIC ACID DIMETHYL ESTER (D6)
CH$NAME: DI(2H3)METHYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10O4
CH$EXACT_MASS: 194.05791
CH$SMILES: [2H]C([2H])([2H])OC(=O)c(c1)c(ccc1)C(=O)OC([2H])([2H])[2H]
CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3/i1D3,2D3
CH$LINK: INCHIKEY
NIQCNGHVCWTJSM-WFGJKAKNSA-N
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-014i-4900000000-8f6b7990a7ff0c457426
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
18 4.38 44
28 2.46 25
31 1.64 16
32 1.31 13
50 6.13 61
52 1.15 12
64 1.7 17
74 1.64 16
75 1.7 17
76 6.3 63
77 1.1 11
78 18.07 181
79 1.42 14
82 1.37 14
92 7.12 71
104 2.46 25
106 1.37 14
120 1.1 11
134 3.89 39
138 7.72 77
165 1.1 11
166 99.99 999
167 9.42 94
200 6.79 68
//