ACCESSION: MSBNK-EPA-ENTACT_AGILENT000151
RECORD_TITLE: Trimethyl benzene-1,2,4-tricarboxylate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Trimethyl benzene-1,2,4-tricarboxylate
CH$NAME: DTXSID8044620
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₂O₆
CH$EXACT_MASS: 252.0633881166
CH$SMILES: COC(=O)C1=CC=C(C=C1C(=O)OC)C(=O)OC
CH$IUPAC: InChI=1S/C12H12O6/c1-16-10(13)7-4-5-8(11(14)17-2)9(6-7)12(15)18-3/h4-6H,1-3H3
CH$LINK: CAS 2459-10-1
CH$LINK: INCHIKEY MJHNUUNSCNRGJE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:17159

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 253.0706645683
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0gdr-3900000000-eb3832cc5c286cddacd7
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  43.017841 1.052442 10
  45.033491 1.313589 13
  51.022927 1.271491 12
  59.012756 3.450378 34
  63.022927 1.202917 12
  65.038577 1.507693 15
  75.022927 35.232425 351
  77.038577 51.208397 511
  78.046402 1.280346 12
  79.054227 9.167029 91
  81.069877 1.109981 11
  85.028406 1.033511 10
  91.017841 2.697573 26
  91.054227 5.90627 59
  92.025666 9.514376 95
  94.041316 1.070625 10
  103.017841 50.394273 503
  105.033491 9.346596 93
  107.049141 6.105085 60
  109.064791 1.453629 14
  119.012756 100 999
  119.049141 1.604507 16
  120.020581 30.444407 304
  131.012756 1.340654 13
  133.028406 8.095529 80
  134.036231 1.038406 10
  135.044056 58.4792 584
  137.059706 1.805527 18
  147.00767 3.668066 36
  150.031145 9.344562 93
  163.038971 5.815283 58
  165.054621 1.134955 11
  178.02606 4.933371 49
  191.033885 7.632069 76
  193.049535 15.668684 156
  221.04445 3.695177 36
//