ACCESSION: MSBNK-EPA-ENTACT_AGILENT001411
RECORD_TITLE: 1,2,3,4-Butanetetracarboxylic acid; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,2,3,4-Butanetetracarboxylic acid
CH$NAME: DTXSID6024670
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O₈
CH$EXACT_MASS: 234.0375672974
CH$SMILES: OC(=O)CC(C(CC(O)=O)C(O)=O)C(O)=O
CH$IUPAC: InChI=1S/C8H10O8/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
CH$LINK: CAS 1703-58-8
CH$LINK: INCHIKEY GGAUUQHSCNMCAU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:15560

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 233.0302908457
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-020s-8910000000-66e1e5238da68224d035
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  41.003288 2.665837 26
  55.018938 7.350633 73
  59.013853 19.785139 197
  67.018938 3.625131 36
  71.013853 20.007389 199
  73.029503 14.293254 142
  81.034588 12.156691 121
  83.050238 62.683657 626
  85.029503 3.309422 33
  99.008768 68.623426 685
  99.045153 2.821191 28
  101.060803 12.389802 123
  109.029503 7.671056 76
  111.008768 62.849986 627
  111.045153 1.117504 11
  115.003682 3.379259 33
  117.019332 11.808775 117
  125.024418 2.115459 21
  127.040068 100.000002 999
  153.019332 2.316463 23
  154.998597 1.449211 14
  171.029897 36.229693 361
  197.009161 1.450756 14
  215.019726 32.593856 325
//