MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003394
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003394
RECORD_TITLE: DIETHYL MALEATE; 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$NAME: DIETHYL MALEATE
CH$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$INSTRUMENT: JEOL JMS-01-SG-2
AC$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$SPLASH: splash10-0f92-9600000000-7044fd2900eb33b94df7
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
43 11.3 113
44 2.7 27
45 9.4 94
53 25.9 259
54 16 160
71 13.4 134
72 3.7 37
82 1.29 13
99 99.99 999
100 13.6 136
125 2.3 23
126 2.62 26
127 68.8 688
128 13.1 131
143 6.2 62
145 0.28 3
173 15.6 156
//
system version 2.2.6-SNAPSHOT