MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001827
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001827
RECORD_TITLE: PROPANEDIOIC ACID DIMETHYL ESTER; 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$NAME: PROPANEDIOIC ACID DIMETHYL ESTER
CH$NAME: DIMETHYL MALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8O4
CH$EXACT_MASS: 132.04226
CH$SMILES: COC(=O)CC(=O)OC
CH$IUPAC: InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3
CH$LINK: INCHIKEY
BEPAFCGSDWSTEL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4029145
AC$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: splash10-0pb9-9300000000-774c5b6ff9660ce1834a
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
14 2.45 25
15 17.42 174
27 3.72 37
29 25.44 254
30 1.96 20
31 5.28 53
41 5.38 54
42 39.14 391
43 25.24 252
44 2.45 25
45 11.94 119
57 35.23 352
58 5.68 57
59 99.99 999
60 2.05 21
69 8.22 82
74 28.47 285
100 4.21 42
101 99.02 990
102 4.01 40
104 2.45 25
105 1.27 13
132 1 10
133 1.86 19
//