MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002926
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002926
RECORD_TITLE: DIMETHYL FUMARATE; 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$NAME: DIMETHYL FUMARATE
CH$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: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-9500000000-ef1a2c817c752048ca3d
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
15 39.31 393
26 15.81 158
27 4.5 45
29 9.27 93
31 2.35 24
39 5.02 50
41 3.91 39
53 14.78 148
54 11.13 111
55 3.21 32
59 30.99 310
81 4.18 42
82 6.24 62
85 48.47 485
86 2.43 24
100 2.46 25
113 99.99 999
114 19.52 195
144 2.57 26
//
system version 2.2.6-SNAPSHOT