ACCESSION: MSBNK-Keio_Univ-KO001925
RECORD_TITLE: Tartronic acid; LC-ESI-QQ; MS2; CE:30 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 T050

CH$NAME: Tartronate
CH$NAME: Hydroxymalonic acid
CH$NAME: Tartronic acid
CH$NAME: Hydroxymalonate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₄O₅
CH$EXACT_MASS: 120.00587
CH$SMILES: OC(C(O)=O)C(O)=O
CH$IUPAC: InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)
CH$LINK: CAS 80-69-3
CH$LINK: CHEBI 16513
CH$LINK: KEGG C02287
CH$LINK: NIKKAJI J4.253F
CH$LINK: PUBCHEM SID:5343
CH$LINK: INCHIKEY ROBFUDYVXSDBQM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6075358

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 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 119
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0a4i-9000000000-3af4b557f3ccb85e572e
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  31.800 14851.5 1
  36.600 14851.5 1
  42.200 54455.5 4
  43.100 29703.0 2
  45.100 49505.0 3
  46.900 79208.0 5
  57.300 3232676.5 218
  59.000 14792094.0 999
  72.700 158416.0 11
  74.400 39604.0 3
  75.200 381188.5 26
  79.500 24752.5 2
  95.900 539604.5 36
  119.300 188119.0 13
//