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MassBank Record: KO001545

Oxamic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001545
RECORD_TITLE: Oxamic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID O011

CH$NAME: Oxamate
CH$NAME: Oxamic acid
CH$NAME: Oxalic monoamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H3NO3
CH$EXACT_MASS: 89.01129
CH$SMILES: NC(=O)C(O)=O
CH$IUPAC: InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)
CH$LINK: CAS 471-47-6
CH$LINK: CHEBI 18058
CH$LINK: KEGG C01444
CH$LINK: NIKKAJI J5.942K
CH$LINK: PUBCHEM SID:4622
CH$LINK: INCHIKEY SOWBFZRMHSNYGE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6060052

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 88
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000i-9000000000-e87e076e2ffe6d08a16b
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  42.000 74257.5 4
  44.100 797030.5 40
  44.900 14851.5 1
  59.900 54455.5 3
  88.200 19975267.5 999
//

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