MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001842
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001842
RECORD_TITLE: DIMETHYL TEREPHTHALATE; 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$NAME: DIMETHYL TEREPHTHALATE
CH$NAME: 1,4-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10O4
CH$EXACT_MASS: 194.05791
CH$SMILES: COC(=O)c(c1)ccc(c1)C(=O)OC
CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3
CH$LINK: INCHIKEY
WOZVHXUHUFLZGK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0020498
AC$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: splash10-03di-3900000000-7ee8d82816aa448b1a19
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 6.17 62
28 2.77 28
29 1.41 14
38 1.47 15
39 1.64 16
50 12.28 123
51 2.26 23
52 2.89 29
53 1.13 11
59 2.21 22
63 1.41 14
64 1.19 12
66 2.32 23
74 4.47 45
75 9.96 100
76 14.09 141
77 8.55 86
92 2.94 29
103 14.66 147
104 9.05 91
105 1.7 17
107 1.36 14
119 4.53 45
120 7.07 71
135 24.56 246
136 2.15 22
163 99.99 999
164 9.8 98
165 1.08 11
179 2.72 27
194 21.17 212
195 2.26 23
//
system version 2.2.6-SNAPSHOT