ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009008
RECORD_TITLE: DIETHYL BUTYLMALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYL BUTYLMALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₄
CH$EXACT_MASS: 216.13616
CH$SMILES: CCCCC(C(=O)OCC)C(=O)OCC
CH$IUPAC: InChI=1S/C11H20O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h9H,4-8H2,1-3H3
CH$LINK: CAS 133-08-4
CH$LINK: INCHIKEY RPNFNBGRHCUORR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90157895

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0200-9600000000-e596ab5322e0dc486bbb
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  15 1.6 16
  26 2.29 23
  27 33.95 340
  28 5.34 53
  29 82.94 829
  30 1.86 19
  31 2.83 28
  39 7.81 78
  40 1.58 16
  41 25.81 258
  42 8.35 84
  43 14.36 144
  44 1.18 12
  45 12.09 121
  53 2.57 26
  54 1.4 14
  55 42.86 429
  56 3.89 39
  57 6.19 62
  58 2.32 23
  59 1.55 16
  60 2.15 22
  67 1.91 19
  68 3.69 37
  69 26.02 260
  70 4.97 50
  71 2.16 22
  73 41.15 412
  74 1.79 18
  80 1.04 10
  81 1.89 19
  83 1.82 18
  85 2.41 24
  86 14.21 142
  87 6.72 67
  88 15.51 155
  89 1.01 10
  95 1.7 17
  96 3.36 34
  97 17.3 173
  98 3.24 32
  99 5.33 53
  101 25.02 250
  102 2.09 21
  104 5.27 53
  105 3.37 34
  113 2.6 26
  114 15.53 155
  115 18.78 188
  116 1.24 12
  123 1.27 13
  124 3.32 33
  127 3.83 38
  128 1.53 15
  129 2.25 23
  132 10.76 108
  133 24.61 246
  134 1.59 16
  142 3.28 33
  143 4.35 44
  144 2.19 22
  160 99.99 999
  161 6.25 63
  162 1.2 12
  171 36.79 368
  172 2.91 29
  173 9.6 96
  174 1.33 13
//