MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009011
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009011
RECORD_TITLE: DIETHYL SUCCINATE; 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$NAME: DIETHYL SUCCINATE
CH$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$LINK: CAS
123-25-1
CH$LINK: INCHIKEY
DKMROQRQHGEIOW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2038732
AC$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: splash10-0ufr-3900000000-7f6aa2df583c7cd0c94b
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
26 1.09 11
27 8.38 84
29 17.54 175
31 1.94 19
42 1.34 13
43 2.76 28
45 7.06 71
55 14.26 143
56 8.33 83
57 2.68 27
73 13.4 134
74 8.83 88
75 1.73 17
100 5.33 53
101 99.99 999
102 12.74 127
103 1.04 10
128 15.69 157
129 69.72 697
130 5.38 54
147 2 20
//
system version 2.2.6-SNAPSHOT