MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002499
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002499
RECORD_TITLE: DIETHYL 2-FORMYLSUCCINATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: DIETHYL 2-FORMYLSUCCINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H14O5
CH$EXACT_MASS: 202.08412
CH$SMILES: CCOC(=O)CC(C=O)C(=O)OCC
CH$IUPAC: InChI=1S/C9H14O5/c1-3-13-8(11)5-7(6-10)9(12)14-4-2/h6-7H,3-5H2,1-2H3
CH$LINK: INCHIKEY
LHHLYOVYBZWIGM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90282752
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-056r-9700000000-45c03da07d87852f3342
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
54 5.52 55
55 84.69 847
56 14.67 147
57 14.52 145
60 6.03 60
71 2.8 28
72 8.13 81
73 49.2 492
74 3.21 32
82 4.36 44
83 74.5 745
84 17.37 174
85 5.59 56
88 18.31 183
98 14.68 147
99 62.96 630
100 65.68 657
101 4.56 46
110 21.07 211
111 13.77 138
128 99.99 999
129 63.8 638
130 5.45 55
156 18.49 185
157 35.55 356
158 2.93 29
174 10.01 100
202 5.7 57
//
system version 2.2.6-SNAPSHOT