MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002492
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002492
RECORD_TITLE: DIETHYL SUCCINATE; 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$NAME: DIETHYL SUCCINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O4
CH$EXACT_MASS: 174.08921
CH$SMILES: CCOC(=O)CCC(=O)OCC
CH$IUPAC: InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY
DKMROQRQHGEIOW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2038732
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$SPLASH: splash10-004i-6900000000-91b4bd8842569eab361f
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
55 28.17 282
56 17.61 176
57 5.92 59
60 1.12 11
73 24.85 249
74 16.93 169
75 3.35 34
98 1.37 14
99 8.42 84
101 17.78 178
103 1.46 15
128 23.58 236
129 99.99 999
130 7.17 72
147 2.96 30
174 2.55 26
//
system version 2.2.6-SNAPSHOT