ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004759
RECORD_TITLE: DIETHYL (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$NAME: DIETHYL (2-OXOPROPYL)MALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O₅
CH$EXACT_MASS: 216.09977
CH$SMILES: CCOC(=O)C(CC(C)=O)C(=O)OCC
CH$IUPAC: InChI=1S/C10H16O5/c1-4-14-9(12)8(6-7(3)11)10(13)15-5-2/h8H,4-6H2,1-3H3
CH$LINK: INCHIKEY KGZCSZOGMMZHKB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60475553

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$SPLASH: splash10-00bc-4900000000-0ee24ee02467bcb83894
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  41 1.89 19
  42 3.25 33
  43 99.99 999
  45 7.31 73
  46 1 10
  53 2.06 21
  54 1.43 14
  55 35.95 360
  56 4.3 43
  57 1.77 18
  58 1.61 16
  69 1.92 19
  71 2.84 28
  72 2.03 20
  73 48.38 484
  74 2.96 30
  82 1.07 11
  85 1 10
  87 1.05 11
  96 1.12 11
  97 18.98 190
  98 5.51 55
  99 15.4 154
  100 24.49 245
  101 60.11 601
  102 19.34 193
  103 1.4 14
  115 2.84 28
  117 2.57 26
  124 3.9 39
  125 85.63 856
  126 6.22 62
  127 25.96 260
  128 67.17 672
  129 14.19 142
  130 1.25 13
  143 23.1 231
  144 4.49 45
  145 6.18 62
  146 1.31 13
  155 3.98 40
  170 4.94 49
  171 49.29 493
  172 4.54 45
  173 22.39 224
  174 45.89 459
  175 11.03 110
  176 1.25 13
  201 12.28 123
  202 1.31 13
  216 2.15 22
//