MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009002
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009002
RECORD_TITLE: DIMETHYL MALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: CAS
108-59-8
CH$LINK: COMPTOX
DTXSID4029145
CH$LINK: INCHIKEY
BEPAFCGSDWSTEL-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7943
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0pbc-9200000000-c4cd9445b26712b886f0
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
14 4.96 50
15 42.75 428
27 5.44 54
29 26.86 269
30 3.05 31
31 5.35 54
41 5.22 52
42 44.99 450
43 22.92 229
44 1.16 12
45 14.08 141
57 26.2 262
58 5.12 51
59 99.99 999
60 1.53 15
69 10.66 107
74 46.85 469
75 1.23 12
100 3.63 36
101 96.68 967
102 3.66 37
104 2.19 22
132 2.64 26
//