ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011260
RECORD_TITLE: METHYLMALONIC 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$NAME: METHYLMALONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₆O₄
CH$EXACT_MASS: 118.02661
CH$SMILES: OC(=O)C(C)C(O)=O
CH$IUPAC: InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
CH$LINK: INCHIKEY ZIYVHBGGAOATLY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00199549

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$SPLASH: splash10-004i-9000000000-b9ee59dddf90dfc7c461
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 1.8 18
  16 3 30
  17 4 40
  18 35 350
  19 2.3 23
  26 9.9 99
  27 37.8 378
  28 99.99 999
  29 49.7 497
  30 11.3 113
  31 2.8 28
  32 1.2 12
  36 1.6 16
  39 1.2 12
  41 3.8 38
  42 3.2 32
  43 6.9 69
  44 54.3 543
  45 29.7 297
  46 4.5 45
  47 2.4 24
  54 2 20
  55 25.4 254
  56 41.3 413
  57 12.8 128
  58 0.9 9
  60 7.7 77
  69 1.2 12
  70 1.6 16
  71 1.9 19
  72 3.8 38
  73 32.7 327
  74 39.5 395
  75 1.8 18
  86 2.3 23
  100 3.9 39
  101 3.1 31
  104 1.1 11
  118 0.9 9
//