ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011261
RECORD_TITLE: MALONIC ACID; 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$NAME: MALONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₄O₄
CH$EXACT_MASS: 104.01096
CH$SMILES: OC(=O)CC(O)=O
CH$IUPAC: InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
CH$LINK: INCHIKEY OFOBLEOULBTSOW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021659

AC$INSTRUMENT: SHIMADZU QP-1000EX
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-6865e83f0df5c9831619
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  13 1.4 14
  14 23.2 232
  15 45.5 455
  16 11 110
  17 5.2 52
  18 44.1 441
  19 1 10
  26 0.9 9
  27 4.2 42
  28 23.3 233
  29 8.9 89
  30 1 10
  31 7.4 74
  32 1 10
  36 3.9 39
  38 1.3 13
  39 1 10
  40 0.7 7
  41 5.6 56
  42 93.4 934
  43 83.9 839
  44 88 880
  45 79.7 797
  46 1.6 16
  55 3 30
  56 1.8 18
  57 1.4 14
  58 1.2 12
  59 1.1 11
  60 99.99 999
  61 2.5 25
  69 2.6 26
  70 1.2 12
  71 0.7 7
  73 3.3 33
  74 1.5 15
  81 0.7 7
  86 1.5 15
  87 7.3 73
  104 3.8 38
//