MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002908
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002908
RECORD_TITLE: DIMETHYL-2-METHYL 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$NAME: DIMETHYL-2-METHYL SUCCINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O4
CH$EXACT_MASS: 160.07356
CH$SMILES: COC(=O)CC(C)C(=O)OC
CH$IUPAC: InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3
CH$LINK: INCHIKEY
NFOQJNGQQXICBY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10870892
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a6r-9300000000-4c5a1299cb5676a07c76
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
15 33.51 335
27 5.23 52
29 9.54 95
31 2.17 22
39 6.62 66
40 2.34 23
41 17.93 179
42 10.54 105
43 6.07 61
45 2.42 24
55 6.55 66
56 2.07 21
58 2.15 22
59 99.99 999
60 3.44 34
69 13.64 136
74 5.63 56
87 11.05 111
100 17.08 171
101 20.41 204
128 21.31 213
129 35.46 355
130 2.68 27
//
system version 2.2.6-SNAPSHOT