MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005398

MALONIC ACID; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005398
RECORD_TITLE: MALONIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: MALONIC ACID
CH$NAME: PROPANEDIOIC 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$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-f239df8fdd12e9a74445
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  12 4.79 48
  13 3.76 38
  14 11.29 113
  15 29.55 296
  16 5.61 56
  17 1.44 14
  18 2.39 24
  22 1.78 18
  28 10.74 107
  29 6.63 66
  31 2.19 22
  41 2.12 21
  42 7.32 73
  43 52.33 523
  44 99.99 999
  45 45.83 458
  46 1.09 11
  60 25.31 253
//