ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009006
RECORD_TITLE: DI-TERT-BUTYL MALONATE; 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$NAME: DI-TERT-BUTYL MALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₄
CH$EXACT_MASS: 216.13616
CH$SMILES: O=C(CC(=O)OC(C)(C)C)OC(C)(C)C
CH$IUPAC: InChI=1S/C11H20O4/c1-10(2,3)14-8(12)7-9(13)15-11(4,5)6/h7H2,1-6H3
CH$LINK: CAS 541-16-2
CH$LINK: INCHIKEY CLPHAYNBNTVRDI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8060244

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$SPLASH: splash10-0a4l-9000000000-1cf9c357da30947c55e2
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 13.97 140
  29 12.12 121
  31 1.44 14
  37 2 20
  38 4.94 49
  39 36.59 366
  41 80.61 806
  42 9.17 92
  43 12.4 124
  44 11.16 112
  45 1.67 17
  50 3.76 38
  51 3.06 31
  53 3.72 37
  54 1.18 12
  55 12.28 123
  56 37.05 371
  57 99.99 999
  58 5.02 50
  59 26.95 270
  60 1.43 14
  69 1.07 11
  87 1.25 13
  105 10.62 106
  115 1.67 17
  145 6.92 69
  161 1.06 11
//