MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010604
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010604
RECORD_TITLE: DIMETHYL MALONATE; 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$NAME: DIMETHYL MALONATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0pb9-9300000000-1b07396aa97f9d4ecb73
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
14 3.5 35
15 38.9 389
27 5.1 51
28 0.25 3
29 18.7 187
30 2 20
31 4.5 45
41 0.35 4
42 32.3 323
43 20.2 202
44 1 10
45 0.96 10
57 32.8 328
58 6.6 66
59 99.99 999
60 0.3 3
69 9.1 91
70 1 10
74 53.5 535
75 0.2 2
100 5.1 51
101 98.5 985
102 5.1 51
104 0.3 3
132 7.6 76
133 1.5 15
//