MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002110
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002110
RECORD_TITLE: DIETHYL MALEATE; 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$NAME: DIETHYL MALEATE
CH$NAME: CIS-BUTENEDIOIC ACID DIETHYL ESTER
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-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: splash10-002b-9300000000-beca5d278a0d16ecf73b
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 1.07 11
26 5.68 57
27 12.56 126
28 2.56 26
29 19.63 196
31 2.53 25
43 3.28 33
44 2.84 28
45 6.25 63
53 2.65 27
54 7.13 71
55 7.83 78
71 4.86 49
72 2.15 22
81 1.58 16
82 7.13 71
98 1.26 13
99 99.99 999
100 12.31 123
125 1.58 16
126 12.63 126
127 29.36 294
128 6.19 62
143 2.27 23
145 1 10
//
system version 2.2.6-SNAPSHOT