MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004044
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004044
RECORD_TITLE: DIETHYL MALEATE; EI-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$NAME: DIETHYL MALEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H12O4
CH$EXACT_MASS: 172.07356
CH$SMILES: CCOC(=O)C=CC(=O)OCC
CH$IUPAC: InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-
CH$LINK: INCHIKEY
IEPRKVQEAMIZSS-WAYWQWQTSA-N
CH$LINK: COMPTOX
DTXSID8020464
AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-002b-9700000000-b8b2e754c193242cc346
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
69 2.5 25
71 16.6 166
72 8 80
73 0.23 2
81 4.5 45
82 27.2 272
83 3.1 31
98 0.6 6
99 99.99 999
100 33.5 335
101 3.1 31
117 0.31 3
118 2 20
125 4.3 43
126 44.5 445
127 9.63 96
128 24.6 246
129 3 30
143 9 90
145 3.5 35
//
system version 2.2.6-SNAPSHOT