ACCESSION: MSBNK-EPA-ENTACT_AGILENT000152
RECORD_TITLE: Trimethyl benzene-1,2,4-tricarboxylate; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-00di-0290000000-25c5401ed4400326f173
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  77.038577 1.259627 12
  103.017841 1.636642 16
  119.012756 1.305641 13
  135.044056 3.488329 34
  163.038971 1.018745 10
  191.033885 7.977118 79
  193.049535 11.910287 118
  221.04445 100.000002 999
//