ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008244
RECORD_TITLE: DIMETHYL OXOMALONATE OXIME; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL OXOMALONATE OXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₇NO₅
CH$EXACT_MASS: 161.03242
CH$SMILES: COC(=O)C(=NO)C(=O)OC
CH$IUPAC: InChI=1S/C5H7NO5/c1-10-4(7)3(6-9)5(8)11-2/h9H,1-2H3
CH$LINK: COMPTOX DTXSID10423246
CH$LINK: INCHIKEY GLFGXQYUPFIXJV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6399477

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0690-9300000000-596144478a38c2609f91
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 99.99 999
  27 10.11 101
  28 6.53 65
  29 14.43 144
  30 8.35 84
  31 14.93 149
  32 1.97 20
  41 3.81 38
  42 6.17 62
  43 2.21 22
  44 9.55 96
  45 6.64 66
  54 18.18 182
  55 1.95 20
  59 57.07 571
  60 1.42 14
  69 2.48 25
  70 6.45 65
  71 1.69 17
  86 3.04 30
  101 8.02 80
  102 13.74 137
  129 74.25 743
  130 10.06 101
  131 0.96 10
  161 8.13 81
//