MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010605
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010605
RECORD_TITLE: DIETHYL 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$NAME: DIETHYL MALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O4
CH$EXACT_MASS: 160.07356
CH$SMILES: CCOC(=O)CC(=O)OCC
CH$IUPAC: InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY
IYXGSMUGOJNHAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7021863
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$SPLASH: splash10-00ou-9300000000-ca6a39f537696bdd1204
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
14 1.2 12
15 3.9 39
26 2.3 23
27 2.13 21
28 4.3 43
29 99.99 999
30 2.7 27
31 0.85 9
41 2.7 27
42 25.6 256
43 55.8 558
44 0.19 2
45 14.7 147
47 1.2 12
55 1.2 12
59 0.16 2
60 17.1 171
61 7.4 74
69 3.1 31
70 0.39 4
73 2.7 27
86 1.9 19
87 4.3 43
88 2.21 22
89 1.6 16
105 3.5 35
115 61.6 616
116 0.39 4
132 1.9 19
135 36.8 368
136 1.9 19
160 0.62 6
161 1.2 12
//
system version 2.2.6-SNAPSHOT