ACCESSION: MSBNK-EPA-ENTACT_AGILENT001410
RECORD_TITLE: 1,2,3,4-Butanetetracarboxylic acid; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-014i-1390000000-b7f1eae097adde358791
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  59.013853 2.050924 20
  71.013853 3.215504 32
  81.034588 1.952671 19
  83.050238 6.548465 65
  99.008768 8.513808 85
  101.060803 1.115886 11
  109.029503 1.088547 10
  111.008768 7.897544 78
  117.019332 2.961036 29
  127.040068 26.199196 261
  153.019332 1.097791 10
  171.029897 17.169117 171
  215.019726 100.000001 999
  233.030291 33.192893 331
//