MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010945
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010945
RECORD_TITLE: DIMETHYL FUMARATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: DIMETHYL FUMARATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H8O4
CH$EXACT_MASS: 144.04226
CH$SMILES: COC(=O)C=CC(=O)OC
CH$IUPAC: InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
CH$LINK: INCHIKEY
LDCRTTXIJACKKU-ONEGZZNKSA-N
AC$INSTRUMENT: JEOL JMS-DX-300
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-9800000000-d3ec2acefa5532f1d130
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
30 1.83 18
31 2.35 24
39 4.72 47
41 3.88 39
42 1.59 16
53 14.52 145
54 10.85 109
55 3.48 35
59 27.83 278
81 4.43 44
82 6.36 64
85 49.56 496
86 2.9 29
99 2.34 23
100 2.01 20
113 99.99 999
114 25.04 250
115 2.17 22
144 5.17 52
//
system version 2.2.6-SNAPSHOT