MassBank Record: MSBNK-EPA-ENTACT_AGILENT000444

Tris(2-hydroxyethyl) isocyanurate; ESI-QTOF; MS2; CE: 40; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000444
RECORD_TITLE: Tris(2-hydroxyethyl) isocyanurate; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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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

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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 40

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

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PK$SPLASH: splash10-000f-9000000000-f7b5def8708fe41f37a4
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  41.998537 99.999995 999
  42.022347 1.907957 19
  80.982947 1.213321 12
  86.024752 53.305279 532
  86.061137 1.199769 11
//