ACCESSION: MSBNK-EPA-ENTACT_AGILENT001459
RECORD_TITLE: Triglycidyl isocyanurate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Triglycidyl isocyanurate
CH$NAME: DTXSID4026262
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅N₃O₆
CH$EXACT_MASS: 297.0960852345
CH$SMILES: O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1
CH$IUPAC: InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2
CH$LINK: CAS 2451-62-9
CH$LINK: INCHIKEY OUPZKGBUJRBPGC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:17142

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$FOCUSED_ION: PRECURSOR_M/Z 298.1033616862
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00lr-9000000000-6107653d366bd937346b
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  41.038577 1.81654 18
  42.033826 3.545561 35
  43.017841 6.491692 64
  44.01309 42.851512 428
  44.049476 7.698117 76
  54.033826 62.147035 620
  55.017841 8.912552 89
  56.01309 23.67819 236
  56.025666 2.097571 20
  56.049476 8.028699 80
  57.033491 43.324436 432
  58.02874 2.473216 24
  69.008339 1.686719 16
  69.992355 75.407993 753
  70.02874 21.83782 218
  82.02874 100.000001 999
  82.062446 1.637228 16
  87.018904 67.59305 675
  87.052609 1.112611 11
  99.018904 7.186577 71
  112.998168 1.017719 10
  113.034554 3.304466 33
  130.024717 43.368232 433
//