MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010601
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010601
RECORD_TITLE: DIETHYL MALEATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-004j-9300000000-83beca9d9c20ad1ddc25
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
15 2.5 25
26 10.3 103
27 23.7 237
28 0.39 4
29 32.6 326
30 1.1 11
31 1.9 19
43 0.39 4
44 1.1 11
45 5.6 56
47 1.4 14
53 0.19 2
54 9.7 97
55 7 70
56 1.4 14
71 0.5 5
72 2.8 28
81 1.1 11
82 7 70
99 99.99 999
100 12 120
101 1.4 14
125 1.4 14
126 2.2 22
127 37.3 373
128 10.6 106
143 5 50
145 1.7 17
//
system version 2.2.6-SNAPSHOT