MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006036
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006036
RECORD_TITLE: DIMETHYL MALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0zfr-9600000000-6127a7f8f3921ef3a52c
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
15 4.29 43
29 6.86 69
42 6.5 65
43 10.59 106
45 4.07 41
57 16.16 162
58 3.69 37
59 49.87 499
60 1.15 12
69 4.02 40
74 41.67 417
75 1.59 16
100 4.14 41
101 99.99 999
102 4.56 46
132 4.29 43
133 2.05 21
//