ACCESSION: MSBNK-EPA-ENTACT_AGILENT000960
RECORD_TITLE: Triallyl trimellitate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Triallyl trimellitate
CH$NAME: DTXSID4044901
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₈O₆
CH$EXACT_MASS: 330.110338308
CH$SMILES: C=CCOC(=O)C1=CC=C(C=C1C(=O)OCC=C)C(=O)OCC=C
CH$IUPAC: InChI=1S/C18H18O6/c1-4-9-22-16(19)13-7-8-14(17(20)23-10-5-2)15(12-13)18(21)24-11-6-3/h4-8,12H,1-3,9-11H2
CH$LINK: CAS 2694-54-4
CH$LINK: INCHIKEY GRPURDFRFHUDSP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:75903

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$FOCUSED_ION: PRECURSOR_M/Z 331.1176147597
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-474756a85b3f2c3f74ec
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  39.022927 8.489904 84
  41.038577 100.000003 999
  41.059706 1.858166 18
  53.038577 1.487854 14
  79.054227 3.983461 39
  81.069877 3.371803 33
  103.017841 6.106605 61
  175.002585 3.504859 35
//