ACCESSION: MSBNK-EPA-ENTACT_AGILENT001458
RECORD_TITLE: Triglycidyl isocyanurate; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-001i-8900000000-a1bf944e7cd3392c02c7
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  42.033826 1.723563 17
  44.01309 2.567133 25
  44.049476 5.593511 55
  54.033826 3.590963 35
  55.017841 5.580669 55
  56.01309 5.075112 50
  56.049476 5.763942 57
  57.033491 15.8285 158
  58.02874 1.296642 12
  69.992355 4.639868 46
  70.02874 5.185098 51
  72.04439 1.035347 10
  82.02874 61.121553 610
  82.062446 1.072139 10
  84.04439 1.693587 16
  87.018904 19.850986 198
  99.018904 6.111684 61
  100.039305 8.336807 83
  113.034554 6.503143 64
  125.034554 7.213542 72
  130.024717 100.000005 999
  130.065126 1.551849 15
  143.045119 5.630305 56
  156.040368 8.14638 81
  168.040368 4.152498 41
  186.050932 9.650117 96
  198.050932 1.136204 11
  224.066582 1.765564 17
  242.077147 3.150793 31
  280.092797 1.212441 12
  298.103362 5.684658 56
//