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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004758

DIMETHYL ETHYL(2-OXOPROPYL)MALONATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004758
RECORD_TITLE: DIMETHYL ETHYL(2-OXOPROPYL)MALONATE; 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$NAME: DIMETHYL ETHYL(2-OXOPROPYL)MALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O5
CH$EXACT_MASS: 216.09977
CH$SMILES: COC(=O)C(CC)(CC(C)=O)C(=O)OC
CH$IUPAC: InChI=1S/C10H16O5/c1-5-10(6-7(2)11,8(12)14-3)9(13)15-4/h5-6H2,1-4H3
CH$LINK: INCHIKEY PBRWHUUBOYQIEO-UHFFFAOYSA-N

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$SPLASH: splash10-054o-7900000000-0ced305c2a338fc13791
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  41 5.05 51
  42 2.32 23
  43 99.99 999
  44 2.98 30
  45 3.05 31
  53 4.85 49
  54 2.66 27
  55 15.91 159
  56 1.01 10
  58 3.46 35
  59 24.18 242
  69 1.92 19
  71 3.77 38
  79 1.05 11
  81 6.34 63
  82 4.13 41
  83 10.54 105
  85 1.74 17
  95 3.38 34
  97 2.44 24
  99 3.61 36
  113 20.31 203
  114 10.96 110
  115 12.5 125
  124 2.69 27
  125 29.95 300
  126 2.56 26
  127 52.15 522
  128 3.73 37
  129 2.67 27
  141 10.31 103
  142 5.93 59
  145 14.34 143
  146 1.22 12
  155 1.2 12
  156 1.05 11
  157 3.5 35
  159 43.4 434
  160 3.39 34
  173 1.49 15
  184 1.1 11
  185 9.51 95
  201 1.26 13
  216 0.06 1
//

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