ACCESSION: MSBNK-EPA-ENTACT_AGILENT000442
RECORD_TITLE: Tris(2-hydroxyethyl) isocyanurate; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Tris(2-hydroxyethyl) isocyanurate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₅N₃O₆
CH$EXACT_MASS: 261.0960852345
CH$SMILES: OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O
CH$IUPAC: InChI=1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2
CH$LINK: CAS 839-90-7
CH$LINK: INCHIKEY BPXVHIRIPLPOPT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:13286

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 260.0888087828
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-9000000000-769b22cc11f023e9efa7
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  41.998537 23.903604 238
  86.024752 99.999995 999
  86.058457 2.021844 20
  86.073714 1.004529 10
//