MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003892

MALONIC ACID; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003892
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

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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

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-6c56a402111059603ba4
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  12 2.8 28
  13 2.5 25
  14 3.2 32
  15 1 10
  16 3.1 31
  17 2.3 23
  18 3.5 35
  22 0.21 2
  28 8 80
  29 2.7 27
  36 2.6 26
  41 0.25 3
  42 6 60
  43 36.3 363
  44 99.99 999
  45 3.91 39
  60 33.6 336
  92 2.3 23
//