ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011259
RECORD_TITLE: ETHYLMALONIC 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$NAME: ETHYLMALONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₄
CH$EXACT_MASS: 132.04226
CH$SMILES: CCC(C(O)=O)C(O)=O
CH$IUPAC: InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)
CH$LINK: INCHIKEY UKFXDFUAPNAMPJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00208842

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$SPLASH: splash10-0gvx-9100000000-9713da0bdd2cd0b28eba
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  14 0.4 4
  15 2.2 22
  16 2.9 29
  17 2.8 28
  18 23.7 237
  19 1.9 19
  26 2.2 22
  27 41.6 416
  28 16.4 164
  29 21.9 219
  30 0.7 7
  31 2.8 28
  32 0.4 4
  36 1.3 13
  38 0.6 6
  39 9.8 98
  40 3.9 39
  41 39.3 393
  42 39.6 396
  43 25.4 254
  44 54.5 545
  45 28.1 281
  46 1.4 14
  47 0.8 8
  53 0.3 3
  54 0.8 8
  55 55.9 559
  56 2 20
  57 1.6 16
  58 3 30
  60 73.4 734
  61 1.9 19
  62 0.3 3
  68 8.3 83
  69 17 170
  70 19.3 193
  71 5.3 53
  72 0.5 5
  73 59.2 592
  74 2 20
  75 0.3 3
  85 1.5 15
  86 82.5 825
  87 12.6 126
  88 5.3 53
  89 0.5 5
  91 0.7 7
  99 1.5 15
  104 99.99 999
  105 3.6 36
  106 1 10
  113 0.3 3
  114 1.1 11
  115 2.5 25
  133 0.3 3
//