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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002908

DIMETHYL-2-METHYL SUCCINATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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
//

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