ACCESSION: MSBNK-EPA-ENTACT_AGILENT000600
RECORD_TITLE: (2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)triethane-2,1-diyl trisprop-2-enoate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: (2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)triethane-2,1-diyl trisprop-2-enoate
CH$NAME: DTXSID1044936
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₁N₃O₉
CH$EXACT_MASS: 423.1277792928
CH$SMILES: C=CC(=O)OCCN1C(=O)N(CCOC(=O)C=C)C(=O)N(CCOC(=O)C=C)C1=O
CH$IUPAC: InChI=1S/C18H21N3O9/c1-4-13(22)28-10-7-19-16(25)20(8-11-29-14(23)5-2)18(27)21(17(19)26)9-12-30-15(24)6-3/h4-6H,1-3,7-12H2
CH$LINK: CAS 40220-08-4
CH$LINK: INCHIKEY YIJYFLXQHDOQGW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:170286

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$FOCUSED_ION: PRECURSOR_M/Z 424.1350557445
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9000000000-b6d150888d2736835fb2
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  55.017841 3.533777 35
  99.044056 99.999999 999
  99.080441 1.220691 12
  352.113926 6.719306 67
//