ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009794
RECORD_TITLE: DIETHYL 2-METHYLPROPANEDIOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYL 2-METHYLPROPANEDIOATE
CH$NAME: DIETHYL 2-METHYLMALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₄
CH$EXACT_MASS: 174.08921
CH$SMILES: CCOC(=O)C(C)C(=O)OCC
CH$IUPAC: InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY UPQZOUHVTJNGFK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0060565

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-05i0-9500000000-76e1858b1ac18b781fc5
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  26 2.5 25
  27 17.6 176
  28 7.3 73
  29 99.99 999
  30 2.9 29
  31 2.8 28
  39 4.7 47
  41 1.61 16
  43 25.3 253
  44 3 30
  45 17.3 173
  53 0.25 3
  54 2 20
  55 22.7 227
  56 11 110
  57 3.7 37
  58 2 20
  59 3.6 36
  69 14.2 142
  70 0.17 2
  72 2.2 22
  73 59.8 598
  74 19.4 194
  75 0.23 2
  82 2.3 23
  83 9.8 98
  84 15 150
  85 0.7 7
  87 47.6 476
  88 5.1 51
  99 2.9 29
  100 1.5 15
  101 15 150
  102 27.4 274
  103 3 30
  113 0.32 3
  115 27.3 273
  116 3.6 36
  128 22.4 224
  129 6.7 67
  130 30.9 309
  143 4.1 41
  146 2 20
  147 0.44 4
  156 3.8 38
  157 33.4 334
  174 49 490
//